smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cc([N+](=O)[O-])cc(-n2ccc(C[NH3+])cc2=N)n1 ZINC001167689689 747631830 /nfs/dbraw/zinc/63/18/30/747631830.db2.gz ABNAGXUVZZCSJZ-UHFFFAOYSA-N 1 0 303.278 0.505 20 5 DCBDRO CN(C)c1ccccc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932375 750143453 /nfs/dbraw/zinc/14/34/53/750143453.db2.gz VCHKEDSANVYNDV-TZMCWYRMSA-N 1 0 306.366 0.624 20 5 DCBDRO COc1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sn1 ZINC001126936411 750148321 /nfs/dbraw/zinc/14/83/21/750148321.db2.gz GJZMYSXCLLQTEJ-RKDXNWHRSA-N 1 0 300.340 0.023 20 5 DCBDRO COc1ccccc1OCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126949699 750162542 /nfs/dbraw/zinc/16/25/42/750162542.db2.gz WONHHDMVRQRWSW-VXGBXAGGSA-N 1 0 323.349 0.445 20 5 DCBDRO Cn1cncc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045436404 753194305 /nfs/dbraw/zinc/19/43/05/753194305.db2.gz QUOFRQOJBNLKES-CHWSQXEVSA-N 1 0 321.381 0.556 20 5 DCBDRO Cn1cc(CC[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001086082832 759690850 /nfs/dbraw/zinc/69/08/50/759690850.db2.gz FHQKNZCBISFSBR-XJFOESAGSA-N 1 0 321.381 0.112 20 5 DCBDRO Cc1nocc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086082892 759691501 /nfs/dbraw/zinc/69/15/01/759691501.db2.gz GYLFPVLFSBEFDA-GWNIPJSYSA-N 1 0 308.338 0.633 20 5 DCBDRO COc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001086084275 759694203 /nfs/dbraw/zinc/69/42/03/759694203.db2.gz KMEHPXVJALWGHI-RBLKWDMZSA-N 1 0 324.337 0.333 20 5 DCBDRO Cc1nocc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363190 760101153 /nfs/dbraw/zinc/10/11/53/760101153.db2.gz GYLFPVLFSBEFDA-OJAKKHQRSA-N 1 0 308.338 0.633 20 5 DCBDRO Cn1ccnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363268 760101431 /nfs/dbraw/zinc/10/14/31/760101431.db2.gz KNNUWWFOCCUOKG-DDHJBXDOSA-N 1 0 307.354 0.070 20 5 DCBDRO [NH3+]Cc1nnnn1-c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001168919949 760512890 /nfs/dbraw/zinc/51/28/90/760512890.db2.gz DGGFGOYGIZYKDZ-UHFFFAOYSA-N 1 0 314.265 0.612 20 5 DCBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968451 760534145 /nfs/dbraw/zinc/53/41/45/760534145.db2.gz ZFIFWDPTEBXAGY-WCQYABFASA-N 1 0 319.427 0.836 20 5 DCBDRO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168993613 760538585 /nfs/dbraw/zinc/53/85/85/760538585.db2.gz NSEBBZOLQBMZPA-OLZOCXBDSA-N 1 0 319.427 0.693 20 5 DCBDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046271 760561644 /nfs/dbraw/zinc/56/16/44/760561644.db2.gz KFIWAKAPYSHGTL-SRVKXCTJSA-N 1 0 313.354 0.185 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001169073732 760573438 /nfs/dbraw/zinc/57/34/38/760573438.db2.gz BAHYVZRVBUBGPV-MRVPVSSYSA-N 1 0 302.294 0.519 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC12CC[NH+](CC1)CC2 ZINC001169793521 760860865 /nfs/dbraw/zinc/86/08/65/760860865.db2.gz USIHXCLIFOKMHS-UHFFFAOYSA-N 1 0 305.338 0.987 20 5 DCBDRO COC(=O)c1ccnc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001156850228 761512440 /nfs/dbraw/zinc/51/24/40/761512440.db2.gz GDIVIKNXIBVURK-UHFFFAOYSA-N 1 0 303.278 0.505 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605441 764535667 /nfs/dbraw/zinc/53/56/67/764535667.db2.gz PUBNNHXUQLYWMR-WDNDVIMCSA-N 1 0 305.334 0.693 20 5 DCBDRO CN(C)c1cc[nH+]c(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC001133800334 765149801 /nfs/dbraw/zinc/14/98/01/765149801.db2.gz KJADKOFXIVLXFY-UHFFFAOYSA-N 1 0 304.310 0.719 20 5 DCBDRO O=C(Cc1nc[nH]n1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001170717464 765296960 /nfs/dbraw/zinc/29/69/60/765296960.db2.gz QTNFYNCBXKLXMP-UHFFFAOYSA-N 1 0 318.337 0.552 20 5 DCBDRO O=[N+]([O-])c1c(Br)ccnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170780594 765738891 /nfs/dbraw/zinc/73/88/91/765738891.db2.gz HJXZBHCDOZLFDZ-POYBYMJQSA-N 1 0 317.143 0.745 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc(OC)c([N+](=O)[O-])n1 ZINC001170870008 766171195 /nfs/dbraw/zinc/17/11/95/766171195.db2.gz LVLUDYGCFGNWLA-RKDXNWHRSA-N 1 0 310.310 0.561 20 5 DCBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001118202986 766254121 /nfs/dbraw/zinc/25/41/21/766254121.db2.gz AAPKRAYPGPPLKL-HAQNSBGRSA-N 1 0 322.365 0.638 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([NH2+]CC2CC2)CC1 ZINC001118261006 766271358 /nfs/dbraw/zinc/27/13/58/766271358.db2.gz MJLXPWQXSXHRAJ-UHFFFAOYSA-N 1 0 308.342 0.177 20 5 DCBDRO Cc1nn(C)c(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001120071351 766894171 /nfs/dbraw/zinc/89/41/71/766894171.db2.gz SQKVQBIKQDDWGF-RYUDHWBXSA-N 1 0 309.370 0.672 20 5 DCBDRO CC(C)([NH3+])CNc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-] ZINC001171188680 766950253 /nfs/dbraw/zinc/95/02/53/766950253.db2.gz OVWJDICKHYZGMA-UHFFFAOYSA-N 1 0 323.762 0.591 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001121152528 767431547 /nfs/dbraw/zinc/43/15/47/767431547.db2.gz GUJCUUWWJOIYLK-YNEHKIRRSA-N 1 0 321.381 0.980 20 5 DCBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](CC2CC2)CC1 ZINC001121288271 767498620 /nfs/dbraw/zinc/49/86/20/767498620.db2.gz BKYCZSFYOYVLAA-UHFFFAOYSA-N 1 0 308.386 0.556 20 5 DCBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC001122081831 767711885 /nfs/dbraw/zinc/71/18/85/767711885.db2.gz JULMEQJAXRWFGQ-KBPBESRZSA-N 1 0 317.345 0.899 20 5 DCBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122173976 767732987 /nfs/dbraw/zinc/73/29/87/767732987.db2.gz MEDNCARNTAAUCN-LLVKDONJSA-N 1 0 311.313 0.920 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001122330690 767772748 /nfs/dbraw/zinc/77/27/48/767772748.db2.gz GWZOCQWYEBODIV-CYBMUJFWSA-N 1 0 307.350 0.893 20 5 DCBDRO Cc1nc(NCCNC(=O)C23CC[NH+](CC2)C3)ccc1[N+](=O)[O-] ZINC001093768866 768719737 /nfs/dbraw/zinc/71/97/37/768719737.db2.gz MYYJCZSGYZZUBV-UHFFFAOYSA-N 1 0 319.365 0.922 20 5 DCBDRO CNC(=O)NC[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001175362509 769889762 /nfs/dbraw/zinc/88/97/62/769889762.db2.gz WAFSBKQKKJUDOE-GFCCVEGCSA-N 1 0 324.385 0.883 20 5 DCBDRO Cc1cc(Cl)nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570241 770547815 /nfs/dbraw/zinc/54/78/15/770547815.db2.gz LJZUHYDQPVQMDB-JMCQJSRRSA-N 1 0 311.729 0.942 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)N1 ZINC001155573187 770549969 /nfs/dbraw/zinc/54/99/69/770549969.db2.gz AJKLDQABVBEAAY-NOZJJQNGSA-N 1 0 302.294 0.461 20 5 DCBDRO CC(C)Oc1nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155581863 770555258 /nfs/dbraw/zinc/55/52/58/770555258.db2.gz VMWRSIBQKGPZTB-IINYFYTJSA-N 1 0 321.337 0.767 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ccnc1CC[NH3+] ZINC001156478989 770830395 /nfs/dbraw/zinc/83/03/95/770830395.db2.gz UBQWOOBZGVALLF-UHFFFAOYSA-N 1 0 305.294 0.853 20 5 DCBDRO CCOC(=O)c1ccnc(-n2ccnc2CC[NH3+])c1[N+](=O)[O-] ZINC001156483447 770830988 /nfs/dbraw/zinc/83/09/88/770830988.db2.gz LXCAIHJRWSQUSG-UHFFFAOYSA-N 1 0 305.294 0.853 20 5 DCBDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC001183248168 771627866 /nfs/dbraw/zinc/62/78/66/771627866.db2.gz MJZHPYAQUFWCCY-UHFFFAOYSA-N 1 0 305.331 0.763 20 5 DCBDRO COc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sn1 ZINC001157767694 771666495 /nfs/dbraw/zinc/66/64/95/771666495.db2.gz RQZJASFZSKJFRB-NXEZZACHSA-N 1 0 314.367 0.413 20 5 DCBDRO [NH3+][C@@H]1CCc2nn(-c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])cc2C1 ZINC001157986826 771707413 /nfs/dbraw/zinc/70/74/13/771707413.db2.gz APALASPDJKLKKS-MRVPVSSYSA-N 1 0 309.713 0.883 20 5 DCBDRO [NH3+]Cc1nnnn1-c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)nn1 ZINC001158080668 771722785 /nfs/dbraw/zinc/72/27/85/771722785.db2.gz TUTVZRVFIOZMDJ-UHFFFAOYSA-N 1 0 316.256 0.625 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@H](C)C2)n1 ZINC001158184236 771735497 /nfs/dbraw/zinc/73/54/97/771735497.db2.gz CKCDDZJJDXPECU-HTQZYQBOSA-N 1 0 308.342 0.838 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001158304654 771756124 /nfs/dbraw/zinc/75/61/24/771756124.db2.gz CUTYKPFYMURJLK-LBPRGKRZSA-N 1 0 307.354 0.873 20 5 DCBDRO COc1nc(N2CCO[C@@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158306330 771756789 /nfs/dbraw/zinc/75/67/89/771756789.db2.gz XHPPQRVIEHWTEU-NSHDSACASA-N 1 0 323.353 0.694 20 5 DCBDRO C[C@H](Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159501759 771920497 /nfs/dbraw/zinc/92/04/97/771920497.db2.gz XJGSWHFIGZYDNY-IONNQARKSA-N 1 0 302.718 0.670 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+]CC(C)(C)O2)n1 ZINC001161956783 772307231 /nfs/dbraw/zinc/30/72/31/772307231.db2.gz RMYZMOFOCXLWSC-SECBINFHSA-N 1 0 324.337 0.955 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC001162391177 772367609 /nfs/dbraw/zinc/36/76/09/772367609.db2.gz AKZSSCCOYVNIQG-GHMZBOCLSA-N 1 0 322.369 0.903 20 5 DCBDRO COc1nc(NC[C@@H]2CC[NH2+]C[C@@H]2F)nc(OC)c1[N+](=O)[O-] ZINC001162805451 772420784 /nfs/dbraw/zinc/42/07/84/772420784.db2.gz UPUGDYXWUUYRSD-YUMQZZPRSA-N 1 0 315.305 0.762 20 5 DCBDRO Cc1c[n+]([O-])c(NCc2noc3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC001163126309 772468287 /nfs/dbraw/zinc/46/82/87/772468287.db2.gz PXXLRMXZDLHRFL-UHFFFAOYSA-N 1 0 305.294 0.782 20 5 DCBDRO COc1cc([N+](=O)[O-])c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc1F ZINC001163253522 772493079 /nfs/dbraw/zinc/49/30/79/772493079.db2.gz ZYMUFCAZKOEOOX-AAEUAGOBSA-N 1 0 310.285 0.733 20 5 DCBDRO CN(C)c1ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254242 772493900 /nfs/dbraw/zinc/49/39/00/772493900.db2.gz QDZCDISGHIPESA-OCCSQVGLSA-N 1 0 305.338 0.651 20 5 DCBDRO CC(=O)Nc1ccc(N(C)S(=O)(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC001164297051 772640742 /nfs/dbraw/zinc/64/07/42/772640742.db2.gz IIPQZFNFHAELON-UHFFFAOYSA-N 1 0 316.339 0.278 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)S(=O)(=O)CC[NH3+])c1 ZINC001164300175 772641072 /nfs/dbraw/zinc/64/10/72/772641072.db2.gz KDMJHYUBSOQBLZ-UHFFFAOYSA-N 1 0 317.323 0.106 20 5 DCBDRO CCOc1cc(N(C)S(=O)(=O)CC[NH3+])ccc1[N+](=O)[O-] ZINC001164300353 772641250 /nfs/dbraw/zinc/64/12/50/772641250.db2.gz NUVCQMFOXVIVBD-UHFFFAOYSA-N 1 0 303.340 0.718 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c1[N+](=O)[O-] ZINC001165152497 772701595 /nfs/dbraw/zinc/70/15/95/772701595.db2.gz URFBDQNWVPZQLF-UWVGGRQHSA-N 1 0 306.322 0.774 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC001165151475 772701764 /nfs/dbraw/zinc/70/17/64/772701764.db2.gz RQJSXBWSULUZRY-PHIMTYICSA-N 1 0 320.353 0.649 20 5 DCBDRO COc1nc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001165288094 772718137 /nfs/dbraw/zinc/71/81/37/772718137.db2.gz GCFSTJCGUWRAPR-ZYHUDNBSSA-N 1 0 308.338 0.813 20 5 DCBDRO COCc1nn(-c2ccc([N+](=O)[O-])c(OC)n2)c2c1C[NH2+]C2 ZINC001165631891 772751572 /nfs/dbraw/zinc/75/15/72/772751572.db2.gz JDYPLZCTUNUEBX-UHFFFAOYSA-N 1 0 305.294 0.934 20 5 DCBDRO Cc1nocc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001165672882 772754873 /nfs/dbraw/zinc/75/48/73/772754873.db2.gz DEKAHJISZMIGMQ-UHFFFAOYSA-N 1 0 322.325 0.534 20 5 DCBDRO COc1cnc(-n2c(=N)sc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001166860977 772872527 /nfs/dbraw/zinc/87/25/27/772872527.db2.gz YKEFHEUSZUIINW-UHFFFAOYSA-N 1 0 307.335 0.976 20 5 DCBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])c(OC)cn2)CC[NH2+]CC1 ZINC001166931570 772883607 /nfs/dbraw/zinc/88/36/07/772883607.db2.gz NZNVAUSUDFJSMC-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1 ZINC001193536843 773073780 /nfs/dbraw/zinc/07/37/80/773073780.db2.gz PXFOQLFZYMOLOM-ZDUSSCGKSA-N 1 0 320.353 0.960 20 5 DCBDRO Nc1ccc2n(C(=O)[C@@H]3C[NH2+]C[C@H]3O)c3ccccc3cc-2c1=O ZINC001219255461 774425081 /nfs/dbraw/zinc/42/50/81/774425081.db2.gz AIHVDNRVMMILEB-MLGOLLRUSA-N 1 0 323.352 0.909 20 5 DCBDRO COc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c([N+](=O)[O-])c1 ZINC001225770464 775716915 /nfs/dbraw/zinc/71/69/15/775716915.db2.gz VQKVNXGLIVNHLP-SNVBAGLBSA-N 1 0 313.330 0.966 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CCNC(N)=O ZINC001317662921 945153790 /nfs/dbraw/zinc/15/37/90/945153790.db2.gz RUOFKARHURTWMY-UHFFFAOYSA-N 1 0 323.353 0.201 20 5 DCBDRO COc1ccc(C[C@H](C)N2CC[C@@H](O)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246576274 945434940 /nfs/dbraw/zinc/43/49/40/945434940.db2.gz SJLDQQJWYZJUEY-PSOPSSQASA-N 1 0 309.366 0.928 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246641974 945451798 /nfs/dbraw/zinc/45/17/98/945451798.db2.gz KKUPVLSWCFAYNJ-CVEARBPZSA-N 1 0 302.378 0.699 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CC2(O)CC[NH2+]CC2)n1 ZINC001247725384 945571660 /nfs/dbraw/zinc/57/16/60/945571660.db2.gz QEYPILXSKMDIDJ-UHFFFAOYSA-N 1 0 323.284 0.836 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001321006905 946115260 /nfs/dbraw/zinc/11/52/60/946115260.db2.gz ZLQQIJAVZBRQLW-UHFFFAOYSA-N 1 0 319.365 0.370 20 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ZINC001327961454 948676285 /nfs/dbraw/zinc/67/62/85/948676285.db2.gz MUECHUNAZQKWOY-SNVBAGLBSA-N 1 0 322.321 0.128 20 5 DCBDRO CN1CC[NH+](C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)CC1 ZINC001330897134 950745057 /nfs/dbraw/zinc/74/50/57/950745057.db2.gz QVDCDXSQCXNCEU-UHFFFAOYSA-N 1 0 322.369 0.170 20 5 DCBDRO CCOC(=O)[C@@H]1CNCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001332415671 951638950 /nfs/dbraw/zinc/63/89/50/951638950.db2.gz IVFYWYVGQQXOFB-NSHDSACASA-N 1 0 322.321 0.154 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001334938028 952415771 /nfs/dbraw/zinc/41/57/71/952415771.db2.gz XYEPREWLDZZVIJ-PWSUYJOCSA-N 1 0 320.349 0.355 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCNCC[NH2+]CC1 ZINC001336755077 952760567 /nfs/dbraw/zinc/76/05/67/952760567.db2.gz OUQJNEJGYBEEBJ-UHFFFAOYSA-N 1 0 321.381 0.342 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC001344932872 953561996 /nfs/dbraw/zinc/56/19/96/953561996.db2.gz WPBCGEVPYLNJSB-NSHDSACASA-N 1 0 324.337 0.738 20 5 DCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345993149 953782050 /nfs/dbraw/zinc/78/20/50/953782050.db2.gz MYZMOTJBPDNVKN-ZJUUUORDSA-N 1 0 320.349 0.679 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC001347921135 954179062 /nfs/dbraw/zinc/17/90/62/954179062.db2.gz JFZUOTMOLGOCTA-OAHLLOKOSA-N 1 0 307.350 0.662 20 5 DCBDRO CN1CC[NH+](C2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)CC1 ZINC001348971396 954552994 /nfs/dbraw/zinc/55/29/94/954552994.db2.gz VBBXGQTXHNALKW-UHFFFAOYSA-N 1 0 321.381 0.775 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC001348973503 954553275 /nfs/dbraw/zinc/55/32/75/954553275.db2.gz SCZVUJJTFIYHMF-GXSJLCMTSA-N 1 0 306.326 0.022 20 5 DCBDRO Cc1ccc(CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001348992780 954557297 /nfs/dbraw/zinc/55/72/97/954557297.db2.gz JSYALCJSXTVORZ-WFASDCNBSA-N 1 0 318.377 0.908 20 5 DCBDRO Cc1ccc(CNC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001348992777 954557835 /nfs/dbraw/zinc/55/78/35/954557835.db2.gz JSYALCJSXTVORZ-DOMZBBRYSA-N 1 0 318.377 0.908 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@H]21 ZINC001349418627 954744402 /nfs/dbraw/zinc/74/44/02/954744402.db2.gz UGKOHWJLILVXGE-QJPTWQEYSA-N 1 0 320.349 0.342 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+]CCC12CCOCC2 ZINC001353224964 955984756 /nfs/dbraw/zinc/98/47/56/955984756.db2.gz DZNAYNPANDYKCM-UHFFFAOYSA-N 1 0 309.326 0.303 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001353392334 956044780 /nfs/dbraw/zinc/04/47/80/956044780.db2.gz LZRHZBHFWFUQSE-CQSZACIVSA-N 1 0 322.365 0.767 20 5 DCBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@@H]1CO ZINC001354593584 956443691 /nfs/dbraw/zinc/44/36/91/956443691.db2.gz NAPFOCOXNFTEPS-SNVBAGLBSA-N 1 0 311.363 0.723 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1 ZINC001354992896 956575568 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CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001467581554 1016184080 /nfs/dbraw/zinc/18/40/80/1016184080.db2.gz RMNIHTYXZMMORA-LLVKDONJSA-N 1 0 324.381 1.000 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)C2CCCC2)c1 ZINC001473830611 1016976782 /nfs/dbraw/zinc/97/67/82/1016976782.db2.gz CSAOKJDSZYDMFJ-KBPBESRZSA-N 1 0 312.370 0.683 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001558359414 1012351210 /nfs/dbraw/zinc/35/12/10/1012351210.db2.gz YWJHLLNYNLPHIY-UHFFFAOYSA-N 1 0 306.322 0.730 20 5 DCBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)C[NH+](C)C ZINC001537721835 1012405246 /nfs/dbraw/zinc/40/52/46/1012405246.db2.gz LHDXNHAZXWLQGR-LBPRGKRZSA-N 1 0 310.354 0.995 20 5 DCBDRO Nc1nc(N2CC[NH2+][C@H](c3ccc(O)cc3)C2)ncc1[N+](=O)[O-] ZINC001559270196 1012414108 /nfs/dbraw/zinc/41/41/08/1012414108.db2.gz HDDQGPZBKMUVIB-NSHDSACASA-N 1 0 316.321 0.824 20 5 DCBDRO CON1CCC([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001460200634 1012871631 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O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000179379877 199025520 /nfs/dbraw/zinc/02/55/20/199025520.db2.gz VRZHNFBAFZOIRN-UHFFFAOYSA-N 1 0 323.353 0.502 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188673276 200285135 /nfs/dbraw/zinc/28/51/35/200285135.db2.gz XNBULCLBTJRNPH-UHFFFAOYSA-N 1 0 301.306 0.711 20 5 DCBDRO C[NH+](C)C1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000158446998 291231603 /nfs/dbraw/zinc/23/16/03/291231603.db2.gz MGMKXDCCLDFVBG-UHFFFAOYSA-N 1 0 316.317 0.822 20 5 DCBDRO CC(=O)N(C)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159785123 291236585 /nfs/dbraw/zinc/23/65/85/291236585.db2.gz VHMNPHNYTCHMNQ-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO Cc1n[nH]c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000567268607 291346272 /nfs/dbraw/zinc/34/62/72/291346272.db2.gz JWTDFNHRXRWTCH-SNVBAGLBSA-N 1 0 323.353 0.454 20 5 DCBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000567350024 291350230 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321.381 0.980 20 5 DCBDRO CCN(CC[NH+]1CCCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000346312894 254035471 /nfs/dbraw/zinc/03/54/71/254035471.db2.gz ZUFCHDADAXHZPX-UHFFFAOYSA-N 1 0 324.385 0.911 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347304953 254146655 /nfs/dbraw/zinc/14/66/55/254146655.db2.gz POHUSHISHAYPPO-CYBMUJFWSA-N 1 0 312.301 0.922 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347896916 254200105 /nfs/dbraw/zinc/20/01/05/254200105.db2.gz YMSACIXDGUXLFJ-CYBMUJFWSA-N 1 0 310.329 0.710 20 5 DCBDRO [NH3+][C@H]1CCc2ncc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2C1 ZINC000349056353 254271792 /nfs/dbraw/zinc/27/17/92/254271792.db2.gz QCFLPTJZXQQBNN-JTQLQIEISA-N 1 0 316.321 0.641 20 5 DCBDRO C[NH+](C)CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000349077602 254271912 /nfs/dbraw/zinc/27/19/12/254271912.db2.gz FTASWXZSJGAFAC-JTQLQIEISA-N 1 0 324.337 0.470 20 5 DCBDRO CC(C)OCC[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350749720 254324596 /nfs/dbraw/zinc/32/45/96/254324596.db2.gz VQEISHKOQUOKJD-UHFFFAOYSA-N 1 0 311.386 0.834 20 5 DCBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000351533753 254344091 /nfs/dbraw/zinc/34/40/91/254344091.db2.gz IVYXLUUYRJEEHT-LBPRGKRZSA-N 1 0 318.333 0.352 20 5 DCBDRO CN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000556780951 288393841 /nfs/dbraw/zinc/39/38/41/288393841.db2.gz QKRDQGHVDHPZEA-UHFFFAOYSA-N 1 0 310.358 0.075 20 5 DCBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285382471 131162468 /nfs/dbraw/zinc/16/24/68/131162468.db2.gz CTYCEQKCDYKFGA-JTQLQIEISA-N 1 0 323.353 0.549 20 5 DCBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000032658910 395712277 /nfs/dbraw/zinc/71/22/77/395712277.db2.gz BNFUSDANZSRYNQ-SNVBAGLBSA-N 1 0 308.338 0.887 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC([NH3+])C1 ZINC000036265750 395722918 /nfs/dbraw/zinc/72/29/18/395722918.db2.gz ZUSHPSVXRRIWEV-UHFFFAOYSA-N 1 0 301.324 0.371 20 5 DCBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000111304309 395806535 /nfs/dbraw/zinc/80/65/35/395806535.db2.gz AUHMUSATEXMXEL-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO C[N@@H+](CCc1cnccn1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000271330555 395858480 /nfs/dbraw/zinc/85/84/80/395858480.db2.gz LQJNIPXLSQWXBO-UHFFFAOYSA-N 1 0 303.322 0.721 20 5 DCBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000209469116 395835386 /nfs/dbraw/zinc/83/53/86/395835386.db2.gz WGJMNVSUVYGBHP-MFKMUULPSA-N 1 0 311.363 0.886 20 5 DCBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000115438538 395839926 /nfs/dbraw/zinc/83/99/26/395839926.db2.gz SNKSGJUWKXMTSV-GFCCVEGCSA-N 1 0 322.365 0.557 20 5 DCBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1[nH]ncc1[N+](=O)[O-] ZINC000270698416 395799449 /nfs/dbraw/zinc/79/94/49/395799449.db2.gz HOIJPZCCWYOSJZ-UHFFFAOYSA-N 1 0 323.353 0.693 20 5 DCBDRO CC[NH2+]CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000054267281 395896837 /nfs/dbraw/zinc/89/68/37/395896837.db2.gz LAJAKIQQCCOHOT-UHFFFAOYSA-N 1 0 302.356 0.524 20 5 DCBDRO COCCCOCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000271482552 395868485 /nfs/dbraw/zinc/86/84/85/395868485.db2.gz GDXBOPCMXRDAAF-UHFFFAOYSA-N 1 0 313.354 0.741 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000230735415 395881506 /nfs/dbraw/zinc/88/15/06/395881506.db2.gz LVERDOAVUXAHRE-LBPRGKRZSA-N 1 0 315.351 0.634 20 5 DCBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000148590075 395968682 /nfs/dbraw/zinc/96/86/82/395968682.db2.gz ZFDMRAQPUQZDNC-IJLUTSLNSA-N 1 0 324.385 0.669 20 5 DCBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000150966206 395976443 /nfs/dbraw/zinc/97/64/43/395976443.db2.gz RFLUASAMBZBOMQ-GFCCVEGCSA-N 1 0 324.385 0.965 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000068467506 396056342 /nfs/dbraw/zinc/05/63/42/396056342.db2.gz HWSCRRKRORNUBE-NSHDSACASA-N 1 0 307.354 0.700 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000252411339 396019220 /nfs/dbraw/zinc/01/92/20/396019220.db2.gz MUVUROCHLHOZIJ-GDGBQDQQSA-N 1 0 313.335 0.100 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CC[NH+](C2CC2)CC1 ZINC000279113957 396153898 /nfs/dbraw/zinc/15/38/98/396153898.db2.gz UUQMRUZFWUXJBK-UHFFFAOYSA-N 1 0 307.354 0.782 20 5 DCBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000176908690 396162399 /nfs/dbraw/zinc/16/23/99/396162399.db2.gz QGQJDLYKKKLROE-LBPRGKRZSA-N 1 0 313.358 0.264 20 5 DCBDRO COCC[NH2+]CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000262643414 396167069 /nfs/dbraw/zinc/16/70/69/396167069.db2.gz IHJKBMIJLBKPKQ-UHFFFAOYSA-N 1 0 315.301 0.465 20 5 DCBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177297541 396170966 /nfs/dbraw/zinc/17/09/66/396170966.db2.gz IMGVHUFSQDVTTN-GFCCVEGCSA-N 1 0 309.370 0.885 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000262768017 396180172 /nfs/dbraw/zinc/18/01/72/396180172.db2.gz LMIKIQFZSMQBLC-LURJTMIESA-N 1 0 307.303 0.368 20 5 DCBDRO COC(=O)c1cc(NC(=O)C[C@@H](C[NH3+])OC)cc([N+](=O)[O-])c1 ZINC000262869133 396188559 /nfs/dbraw/zinc/18/85/59/396188559.db2.gz MECVQEUNCODYMA-NSHDSACASA-N 1 0 311.294 0.684 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCN(CCO)CC1 ZINC000178046691 396188694 /nfs/dbraw/zinc/18/86/94/396188694.db2.gz IAHUPHXPJUGDHE-UHFFFAOYSA-N 1 0 308.338 0.143 20 5 DCBDRO Cc1nn(CCC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000262879750 396189054 /nfs/dbraw/zinc/18/90/54/396189054.db2.gz VVLLFJKBACGQAT-BXKDBHETSA-N 1 0 309.370 0.912 20 5 DCBDRO [NH3+]C[C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000178571940 396199567 /nfs/dbraw/zinc/19/95/67/396199567.db2.gz PQTQRNYDJKSKAQ-SNVBAGLBSA-N 1 0 316.321 0.596 20 5 DCBDRO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000179047188 396219655 /nfs/dbraw/zinc/21/96/55/396219655.db2.gz UGLAIMIVBFASAB-NSHDSACASA-N 1 0 316.321 0.609 20 5 DCBDRO C[C@]1(C(N)=O)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874563 396227067 /nfs/dbraw/zinc/22/70/67/396227067.db2.gz ZTOGKQMDXZFWHR-ABAIWWIYSA-N 1 0 323.349 0.532 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000264476881 396283878 /nfs/dbraw/zinc/28/38/78/396283878.db2.gz MONWBDSEHKJUKG-VIFPVBQESA-N 1 0 310.310 0.146 20 5 DCBDRO COC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000184516533 396297705 /nfs/dbraw/zinc/29/77/05/396297705.db2.gz XVUPLJYMZCKFBH-NEPJUHHUSA-N 1 0 310.310 0.723 20 5 DCBDRO O=C(C[NH2+]C1(CO)CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000264651757 396299380 /nfs/dbraw/zinc/29/93/80/396299380.db2.gz YGKLAOLNJSDMKK-UHFFFAOYSA-N 1 0 309.322 0.664 20 5 DCBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000285963654 396365696 /nfs/dbraw/zinc/36/56/96/396365696.db2.gz GZSJZSOMMBRIKU-GPCCPHFNSA-N 1 0 308.338 0.259 20 5 DCBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000285424292 396350002 /nfs/dbraw/zinc/35/00/02/396350002.db2.gz DWLHBKCYXVIMKK-CYZMBNFOSA-N 1 0 312.322 0.026 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000269068681 396383644 /nfs/dbraw/zinc/38/36/44/396383644.db2.gz YFMSUKLPXZNBIG-STQMWFEESA-N 1 0 322.369 0.717 20 5 DCBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[NH2+]CC1 ZINC000269137276 396388574 /nfs/dbraw/zinc/38/85/74/396388574.db2.gz RYNAOKAYBAYKLF-UHFFFAOYSA-N 1 0 307.306 0.802 20 5 DCBDRO [NH3+]C[C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269154772 396390054 /nfs/dbraw/zinc/39/00/54/396390054.db2.gz FHQBOOWAIKYMGG-LLVKDONJSA-N 1 0 320.349 0.522 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000269269228 396402453 /nfs/dbraw/zinc/40/24/53/396402453.db2.gz LTGAPXBKXQDVLV-ZWNOBZJWSA-N 1 0 322.365 0.813 20 5 DCBDRO Cc1cn2c(n1)[C@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)CCC2 ZINC000372251786 396499793 /nfs/dbraw/zinc/49/97/93/396499793.db2.gz NGZGAWPKJSJTAP-NSHDSACASA-N 1 0 318.337 0.990 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193239326 396446746 /nfs/dbraw/zinc/44/67/46/396446746.db2.gz GNRFDZLCHUULCU-ZETCQYMHSA-N 1 0 319.314 0.383 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289085682 396454526 /nfs/dbraw/zinc/45/45/26/396454526.db2.gz BESFDONARCWWJK-HNNXBMFYSA-N 1 0 320.349 0.359 20 5 DCBDRO COC(=O)NCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000496364635 396482215 /nfs/dbraw/zinc/48/22/15/396482215.db2.gz IAOYLXBQRYZHJP-JTQLQIEISA-N 1 0 313.310 0.280 20 5 DCBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595102349 396548555 /nfs/dbraw/zinc/54/85/55/396548555.db2.gz KLKRVXHSYXLWMG-SECBINFHSA-N 1 0 314.367 0.738 20 5 DCBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000595122869 396553356 /nfs/dbraw/zinc/55/33/56/396553356.db2.gz XCQHIMFSTPMRRD-QMMMGPOBSA-N 1 0 303.340 0.490 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000581549696 396564512 /nfs/dbraw/zinc/56/45/12/396564512.db2.gz DJWWIXFFWGSYQN-MNOVXSKESA-N 1 0 322.365 0.875 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595245468 396569433 /nfs/dbraw/zinc/56/94/33/396569433.db2.gz RTDQPCMJXGLFGG-QMMMGPOBSA-N 1 0 310.310 0.266 20 5 DCBDRO O=C1C[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1 ZINC000595374759 396597358 /nfs/dbraw/zinc/59/73/58/396597358.db2.gz JILBDJAIJXQRBO-GHMZBOCLSA-N 1 0 305.338 0.612 20 5 DCBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000374631907 396676992 /nfs/dbraw/zinc/67/69/92/396676992.db2.gz RLTLMGHZMYINKP-DCAQKATOSA-N 1 0 307.354 0.836 20 5 DCBDRO COc1ccc(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595932438 396685531 /nfs/dbraw/zinc/68/55/31/396685531.db2.gz PGYBTKDXLXOZCR-GXFFZTMASA-N 1 0 309.322 0.583 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295284774 396689907 /nfs/dbraw/zinc/68/99/07/396689907.db2.gz TZCIXTWZTOMDAD-KOLCDFICSA-N 1 0 308.338 0.567 20 5 DCBDRO COc1ccc(CC(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000562981291 396690417 /nfs/dbraw/zinc/69/04/17/396690417.db2.gz AKMCYYKODIPDMG-NSHDSACASA-N 1 0 309.322 0.251 20 5 DCBDRO CCCN1CCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563010051 396692980 /nfs/dbraw/zinc/69/29/80/396692980.db2.gz CZGFFZCELNMQON-JSGCOSHPSA-N 1 0 311.386 0.616 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000295363493 396694452 /nfs/dbraw/zinc/69/44/52/396694452.db2.gz ZQECMMKBMZEPIT-JTQLQIEISA-N 1 0 318.337 0.951 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595958024 396696422 /nfs/dbraw/zinc/69/64/22/396696422.db2.gz YFEIICRSAPKKTG-SNVBAGLBSA-N 1 0 321.259 0.450 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000588866579 396696919 /nfs/dbraw/zinc/69/69/19/396696919.db2.gz MBHSJUYVAGLNGM-NSHDSACASA-N 1 0 310.354 0.436 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000595983010 396702634 /nfs/dbraw/zinc/70/26/34/396702634.db2.gz MNJHRLNACXUQJE-UWVGGRQHSA-N 1 0 324.337 0.517 20 5 DCBDRO C[N@@H+]1CCCC12CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374980077 396703076 /nfs/dbraw/zinc/70/30/76/396703076.db2.gz NMEALQPVRYJXSR-AWEZNQCLSA-N 1 0 323.397 0.712 20 5 DCBDRO Nc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1[N+](=O)[O-] ZINC000596052625 396711856 /nfs/dbraw/zinc/71/18/56/396711856.db2.gz FWWSWDOXGHIODP-LLVKDONJSA-N 1 0 307.354 0.873 20 5 DCBDRO Nc1ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc1[N+](=O)[O-] ZINC000596112288 396718303 /nfs/dbraw/zinc/71/83/03/396718303.db2.gz MHODTOCCZFDCKW-NEPJUHHUSA-N 1 0 307.354 0.607 20 5 DCBDRO Nc1ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc1[N+](=O)[O-] ZINC000596112289 396718521 /nfs/dbraw/zinc/71/85/21/396718521.db2.gz MHODTOCCZFDCKW-NWDGAFQWSA-N 1 0 307.354 0.607 20 5 DCBDRO CCC1(CO)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000305684300 396746961 /nfs/dbraw/zinc/74/69/61/396746961.db2.gz ACPKKNXPERISPK-CYBMUJFWSA-N 1 0 312.370 0.637 20 5 DCBDRO C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000610864258 396773088 /nfs/dbraw/zinc/77/30/88/396773088.db2.gz IIWGLDRDFLXQRN-LLVKDONJSA-N 1 0 324.385 0.821 20 5 DCBDRO C[C@@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600535641 396885147 /nfs/dbraw/zinc/88/51/47/396885147.db2.gz RVPPECYJEDCHNA-BXUZGUMPSA-N 1 0 307.350 0.881 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591304630 396897602 /nfs/dbraw/zinc/89/76/02/396897602.db2.gz LOVCJNKDTXCIMF-GXFFZTMASA-N 1 0 318.333 0.744 20 5 DCBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC[C@H](O)C1 ZINC000600805916 396945860 /nfs/dbraw/zinc/94/58/60/396945860.db2.gz CGYVOBSERABXSY-NSHDSACASA-N 1 0 309.322 0.156 20 5 DCBDRO O=C1NCCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591735168 396994217 /nfs/dbraw/zinc/99/42/17/396994217.db2.gz WOXDKPQYUWXHPU-RYUDHWBXSA-N 1 0 323.349 0.450 20 5 DCBDRO CN1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591747754 396995818 /nfs/dbraw/zinc/99/58/18/396995818.db2.gz FKICHUWDZPKRMI-OCCSQVGLSA-N 1 0 323.349 0.545 20 5 DCBDRO CN1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591747753 396995907 /nfs/dbraw/zinc/99/59/07/396995907.db2.gz FKICHUWDZPKRMI-JSGCOSHPSA-N 1 0 323.349 0.545 20 5 DCBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752104 396996600 /nfs/dbraw/zinc/99/66/00/396996600.db2.gz USGQYHGDXWPRFM-SWHYSGLUSA-N 1 0 309.370 0.225 20 5 DCBDRO Cc1c(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572016423 397014577 /nfs/dbraw/zinc/01/45/77/397014577.db2.gz VDVVJHJHOQIMCI-QWHCGFSZSA-N 1 0 304.350 0.647 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000572101285 397020593 /nfs/dbraw/zinc/02/05/93/397020593.db2.gz GSLKPYOVNTZYAD-UHFFFAOYSA-N 1 0 308.338 0.903 20 5 DCBDRO CN(CCC[NH3+])C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000591679739 396976003 /nfs/dbraw/zinc/97/60/03/396976003.db2.gz VTNJNSKOKFFYJX-UHFFFAOYSA-N 1 0 304.310 0.596 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000601345585 397069886 /nfs/dbraw/zinc/06/98/86/397069886.db2.gz DEPAGTNPFBFBQF-AAEUAGOBSA-N 1 0 311.363 0.513 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000601327828 397059162 /nfs/dbraw/zinc/05/91/62/397059162.db2.gz ZYRDWURTPDPMDA-JQWIXIFHSA-N 1 0 311.363 0.415 20 5 DCBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000597925518 397131392 /nfs/dbraw/zinc/13/13/92/397131392.db2.gz WJWTYCAJEYMEAK-NSHDSACASA-N 1 0 322.365 0.746 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000592342948 397156572 /nfs/dbraw/zinc/15/65/72/397156572.db2.gz SBKJGKITZZKNQO-LLVKDONJSA-N 1 0 309.322 0.550 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000592382788 397163607 /nfs/dbraw/zinc/16/36/07/397163607.db2.gz UORICSDLQJESTB-SECBINFHSA-N 1 0 315.351 0.619 20 5 DCBDRO [NH3+]C[C@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598664126 397271131 /nfs/dbraw/zinc/27/11/31/397271131.db2.gz GZECIRIUBBLMFH-LBPRGKRZSA-N 1 0 321.337 0.570 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664326 397271472 /nfs/dbraw/zinc/27/14/72/397271472.db2.gz FBWGKXIAECWUSB-VIFPVBQESA-N 1 0 309.326 0.570 20 5 DCBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000598669623 397272016 /nfs/dbraw/zinc/27/20/16/397272016.db2.gz KBXTVLVKMSISGS-YGRLFVJLSA-N 1 0 306.322 0.096 20 5 DCBDRO COc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000598684473 397276268 /nfs/dbraw/zinc/27/62/68/397276268.db2.gz QMPLHQVKHGNYNT-QMMMGPOBSA-N 1 0 310.310 0.395 20 5 DCBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1CCC[NH2+]CC1 ZINC000601981350 397279633 /nfs/dbraw/zinc/27/96/33/397279633.db2.gz VQGLPMPXZHKVLJ-UHFFFAOYSA-N 1 0 308.342 0.021 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598916298 397307513 /nfs/dbraw/zinc/30/75/13/397307513.db2.gz XCFXVKUNRFKKRL-MWLCHTKSSA-N 1 0 306.322 0.790 20 5 DCBDRO [NH3+]C1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598916242 397307780 /nfs/dbraw/zinc/30/77/80/397307780.db2.gz ULCQVTKAMTVCQR-UHFFFAOYSA-N 1 0 306.322 0.919 20 5 DCBDRO CN(CCOCC[NH3+])S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000599112189 397341163 /nfs/dbraw/zinc/34/11/63/397341163.db2.gz UWPYTOCJHLEJGF-UHFFFAOYSA-N 1 0 317.367 0.332 20 5 DCBDRO O=[N+]([O-])c1ccc2ncnc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2c1 ZINC000593507528 397378479 /nfs/dbraw/zinc/37/84/79/397378479.db2.gz JWTZCXZLRSUVEA-GFCCVEGCSA-N 1 0 315.333 0.793 20 5 DCBDRO C[C@H](CO)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000593085814 397322361 /nfs/dbraw/zinc/32/23/61/397322361.db2.gz XQCBZHMJUFCBNF-BXUZGUMPSA-N 1 0 312.370 0.493 20 5 DCBDRO CC(=O)N1CCN(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602514259 397425168 /nfs/dbraw/zinc/42/51/68/397425168.db2.gz IOKRCZFOPXEDOG-UHFFFAOYSA-N 1 0 320.393 0.891 20 5 DCBDRO C[NH2+]CCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422736669 397392912 /nfs/dbraw/zinc/39/29/12/397392912.db2.gz YNZUSJGCPHHHFV-UHFFFAOYSA-N 1 0 322.365 0.771 20 5 DCBDRO O=C(NCCCN1CC[NH2+]CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000602421143 397396817 /nfs/dbraw/zinc/39/68/17/397396817.db2.gz JMGPJDSTUQORNO-UHFFFAOYSA-N 1 0 310.329 0.759 20 5 DCBDRO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602706653 397467704 /nfs/dbraw/zinc/46/77/04/397467704.db2.gz GUZZHMBDANTLIG-QWHCGFSZSA-N 1 0 314.363 0.539 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](OC)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000370344337 397472310 /nfs/dbraw/zinc/47/23/10/397472310.db2.gz WQPLEYROWRCYPR-QWRGUYRKSA-N 1 0 312.326 0.444 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](OC)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000370342674 397472353 /nfs/dbraw/zinc/47/23/53/397472353.db2.gz LFMUUJPVIMYWPC-RYUDHWBXSA-N 1 0 312.326 0.444 20 5 DCBDRO C[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593917634 397479784 /nfs/dbraw/zinc/47/97/84/397479784.db2.gz XBYMVQLGXKQHIF-NWDGAFQWSA-N 1 0 322.365 0.732 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCC1CC[NH2+]CC1 ZINC000593918602 397480461 /nfs/dbraw/zinc/48/04/61/397480461.db2.gz GOPBMYMLJNNHIE-UHFFFAOYSA-N 1 0 308.338 0.262 20 5 DCBDRO C[C@@]1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000579717260 397590134 /nfs/dbraw/zinc/59/01/34/397590134.db2.gz CDUOBZTWUJMSRU-GFCCVEGCSA-N 1 0 314.367 0.658 20 5 DCBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000603633281 397618504 /nfs/dbraw/zinc/61/85/04/397618504.db2.gz ZYVSNRWWKZLNHW-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000604510026 397641682 /nfs/dbraw/zinc/64/16/82/397641682.db2.gz GYZLMIIFJIAWSV-UHFFFAOYSA-N 1 0 306.326 0.944 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000608813940 397757490 /nfs/dbraw/zinc/75/74/90/397757490.db2.gz JPPMJNULKMEKHS-NSHDSACASA-N 1 0 308.342 0.273 20 5 DCBDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610259434 397809287 /nfs/dbraw/zinc/80/92/87/397809287.db2.gz NWWUASJBEJGAFB-UHFFFAOYSA-N 1 0 314.367 0.705 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071310228 286347512 /nfs/dbraw/zinc/34/75/12/286347512.db2.gz SRRYISZZQFHIJU-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO Cc1c(NC(=O)C(=O)NCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000048606237 158007246 /nfs/dbraw/zinc/00/72/46/158007246.db2.gz SWCLYYGDRCNLFH-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000118101843 158175772 /nfs/dbraw/zinc/17/57/72/158175772.db2.gz HWELURIXNOLSKF-CYBMUJFWSA-N 1 0 320.349 0.990 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000126852995 158268634 /nfs/dbraw/zinc/26/86/34/158268634.db2.gz ZMOUVQBEHOTGOZ-QMMMGPOBSA-N 1 0 319.314 0.001 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000131688153 158304699 /nfs/dbraw/zinc/30/46/99/158304699.db2.gz RXVQIKQLYORTSD-UHFFFAOYSA-N 1 0 306.366 0.928 20 5 DCBDRO CNS(=O)(=O)c1ccc(NC[C@@H](C)C[NH2+]C)c([N+](=O)[O-])c1 ZINC000133247506 158317053 /nfs/dbraw/zinc/31/70/53/158317053.db2.gz BQCHJLASEFLQOY-VIFPVBQESA-N 1 0 316.383 0.770 20 5 DCBDRO NC(=O)c1ccc(SCC(=O)NCC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262001348 158763283 /nfs/dbraw/zinc/76/32/83/158763283.db2.gz HCWOKDOQLHELRP-UHFFFAOYSA-N 1 0 324.362 0.121 20 5 DCBDRO CNC(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090551458 286935172 /nfs/dbraw/zinc/93/51/72/286935172.db2.gz KVUCMFIIWLRUCU-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO COc1cc(C(=O)N2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000135015317 287019486 /nfs/dbraw/zinc/01/94/86/287019486.db2.gz FGOAYKXPKAGHRT-UHFFFAOYSA-N 1 0 309.322 0.998 20 5 DCBDRO [NH3+]C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CC1 ZINC000237890850 287067761 /nfs/dbraw/zinc/06/77/61/287067761.db2.gz ZICYJSHTJFLOQZ-UHFFFAOYSA-N 1 0 324.362 0.432 20 5 DCBDRO CCc1[nH]nc(C(=O)Nc2ccnn2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000294112397 287139164 /nfs/dbraw/zinc/13/91/64/287139164.db2.gz PAUZUWZFSFQVEM-UHFFFAOYSA-N 1 0 321.341 0.891 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418613968 287251117 /nfs/dbraw/zinc/25/11/17/287251117.db2.gz JDMFZYOKIYKLAM-NSHDSACASA-N 1 0 307.354 0.774 20 5 DCBDRO C[NH2+]CCN(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420335787 287291347 /nfs/dbraw/zinc/29/13/47/287291347.db2.gz JAROWSDAHDXIIU-UHFFFAOYSA-N 1 0 301.368 0.520 20 5 DCBDRO NC(=O)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000026711414 415168079 /nfs/dbraw/zinc/16/80/79/415168079.db2.gz WWQPDCCKMYDNBW-ZDUSSCGKSA-N 1 0 323.349 0.532 20 5 DCBDRO CN1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679702 415183796 /nfs/dbraw/zinc/18/37/96/415183796.db2.gz VXAHFHONRWYMJX-GUTXKFCHSA-N 1 0 323.397 0.931 20 5 DCBDRO CC(C)(C[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420422186 287297384 /nfs/dbraw/zinc/29/73/84/287297384.db2.gz PRLUKEUANQJWGK-UHFFFAOYSA-N 1 0 301.368 0.794 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000422883340 287301176 /nfs/dbraw/zinc/30/11/76/287301176.db2.gz QNBLNPHCUCDEMX-UHFFFAOYSA-N 1 0 308.338 0.487 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422885095 287301298 /nfs/dbraw/zinc/30/12/98/287301298.db2.gz UBIMRMRMVZEUAY-LLVKDONJSA-N 1 0 307.306 0.945 20 5 DCBDRO [NH3+]CCCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272598939 415291182 /nfs/dbraw/zinc/29/11/82/415291182.db2.gz AKZPRDNEYANWJI-UHFFFAOYSA-N 1 0 308.338 0.570 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353810868 415666111 /nfs/dbraw/zinc/66/61/11/415666111.db2.gz LUGWUQFYYNEHBD-NSHDSACASA-N 1 0 307.354 0.790 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000354062680 415737691 /nfs/dbraw/zinc/73/76/91/415737691.db2.gz CCEOWQPYMIZIET-NSHDSACASA-N 1 0 323.353 0.645 20 5 DCBDRO O=C1NCCN1CC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343890456 415768058 /nfs/dbraw/zinc/76/80/58/415768058.db2.gz YLGIMMKTSCADSF-NSHDSACASA-N 1 0 320.353 0.501 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000290177753 415771950 /nfs/dbraw/zinc/77/19/50/415771950.db2.gz PIMPQNNZONOIFI-NXEZZACHSA-N 1 0 307.354 0.952 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCCC[NH2+]Cc1cccnc1 ZINC000120754976 415782170 /nfs/dbraw/zinc/78/21/70/415782170.db2.gz DEQOSQBEDQYWFH-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000152852067 415971307 /nfs/dbraw/zinc/97/13/07/415971307.db2.gz YHPLRAWSGOBVKF-AWEZNQCLSA-N 1 0 311.338 0.402 20 5 DCBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000153968296 415988966 /nfs/dbraw/zinc/98/89/66/415988966.db2.gz GYWZUBYUBZCJPE-RYUDHWBXSA-N 1 0 307.354 0.734 20 5 DCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356880934 415999544 /nfs/dbraw/zinc/99/95/44/415999544.db2.gz WJXVDVHYNJEOMK-LLVKDONJSA-N 1 0 324.385 0.084 20 5 DCBDRO C[NH+](C)Cc1ccccc1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000338073388 416042643 /nfs/dbraw/zinc/04/26/43/416042643.db2.gz LWIFIXIJRIHNST-UHFFFAOYSA-N 1 0 318.337 0.564 20 5 DCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301137886 416076769 /nfs/dbraw/zinc/07/67/69/416076769.db2.gz DNEZFQJYABCCBU-ZDUSSCGKSA-N 1 0 319.365 0.733 20 5 DCBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000159100409 416007007 /nfs/dbraw/zinc/00/70/07/416007007.db2.gz CIGPQBUIKKEFIS-LLVKDONJSA-N 1 0 309.370 0.984 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)C1C[NH2+]C1 ZINC000357088734 416033083 /nfs/dbraw/zinc/03/30/83/416033083.db2.gz OTHRHPISIWKQTP-UHFFFAOYSA-N 1 0 308.338 0.836 20 5 DCBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](CCCO)CC3)nn21 ZINC000301854163 416095283 /nfs/dbraw/zinc/09/52/83/416095283.db2.gz YERIVZPCJIJODP-UHFFFAOYSA-N 1 0 306.326 0.142 20 5 DCBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357925127 416154602 /nfs/dbraw/zinc/15/46/02/416154602.db2.gz MVQZDDMWPFKFHW-LBPRGKRZSA-N 1 0 324.385 0.957 20 5 DCBDRO COc1cc(CN2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000357965660 416161865 /nfs/dbraw/zinc/16/18/65/416161865.db2.gz LAUGZDKXPADNIA-LLVKDONJSA-N 1 0 311.338 0.772 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359305999 416320372 /nfs/dbraw/zinc/32/03/72/416320372.db2.gz MRUUTUJDKOUMLJ-RYUDHWBXSA-N 1 0 304.350 0.993 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415539381 416346668 /nfs/dbraw/zinc/34/66/68/416346668.db2.gz MAOSZJMFYKHBNU-LLVKDONJSA-N 1 0 306.322 0.695 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415551781 416347194 /nfs/dbraw/zinc/34/71/94/416347194.db2.gz MFCSQZGXJOGGEQ-VIFPVBQESA-N 1 0 324.337 0.786 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]([NH3+])CC ZINC000415795028 416354376 /nfs/dbraw/zinc/35/43/76/416354376.db2.gz XAWGWHVYEKSSEO-SECBINFHSA-N 1 0 324.337 0.786 20 5 DCBDRO COC[C@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000423228081 416480836 /nfs/dbraw/zinc/48/08/36/416480836.db2.gz YCDQGTVPTCIFHJ-HNNXBMFYSA-N 1 0 307.350 0.880 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000423649481 416535636 /nfs/dbraw/zinc/53/56/36/416535636.db2.gz SSHGSDTUVOKNMN-CWSCBRNRSA-N 1 0 320.349 0.661 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000584183249 416508668 /nfs/dbraw/zinc/50/86/68/416508668.db2.gz AKSGSRJKQVHFHF-SKDRFNHKSA-N 1 0 322.296 0.118 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000424016750 416606094 /nfs/dbraw/zinc/60/60/94/416606094.db2.gz FJOXDBRLFSGPIT-LBPRGKRZSA-N 1 0 322.365 0.973 20 5 DCBDRO [NH3+]CC(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000423902468 416586031 /nfs/dbraw/zinc/58/60/31/416586031.db2.gz PBOSYFLEXQZXNA-UHFFFAOYSA-N 1 0 318.337 0.469 20 5 DCBDRO CNc1cc2c(nn1)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000610485106 416657335 /nfs/dbraw/zinc/65/73/35/416657335.db2.gz VANOSVBAXAIFLL-UHFFFAOYSA-N 1 0 303.326 0.681 20 5 DCBDRO O=C1CCC(=O)N1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369670235 416813736 /nfs/dbraw/zinc/81/37/36/416813736.db2.gz KLBWMOANVHPJAN-UHFFFAOYSA-N 1 0 321.337 0.577 20 5 DCBDRO CCN(CCC[NH+](C)C)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000563727665 416884759 /nfs/dbraw/zinc/88/47/59/416884759.db2.gz WKRQVTGSLZJJLA-UHFFFAOYSA-N 1 0 309.370 1.445 20 5 DCBDRO O=C(N[C@@H]1CCn2ccnc2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445218672 416890671 /nfs/dbraw/zinc/89/06/71/416890671.db2.gz WUJREQGKTWPEIO-SECBINFHSA-N 1 0 303.278 0.637 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000429234082 416956033 /nfs/dbraw/zinc/95/60/33/416956033.db2.gz OBGFBSTYFSXEQP-NSHDSACASA-N 1 0 322.365 0.686 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000429321618 416962608 /nfs/dbraw/zinc/96/26/08/416962608.db2.gz YMHCHDDASMRGSE-MRVPVSSYSA-N 1 0 315.351 0.418 20 5 DCBDRO C[C@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000564987682 416905653 /nfs/dbraw/zinc/90/56/53/416905653.db2.gz FDTZPSZRPWWLII-NSHDSACASA-N 1 0 313.379 0.662 20 5 DCBDRO CCC[N@@H+](CC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429159912 416950901 /nfs/dbraw/zinc/95/09/01/416950901.db2.gz FZXWGUNZHYGIKV-LLVKDONJSA-N 1 0 311.338 0.532 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000447247860 416974616 /nfs/dbraw/zinc/97/46/16/416974616.db2.gz KCQSKVZUCXUWKN-MRVPVSSYSA-N 1 0 303.340 0.477 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000429977102 417008928 /nfs/dbraw/zinc/00/89/28/417008928.db2.gz VANIQGDLBPJBSW-UHFFFAOYSA-N 1 0 323.349 0.988 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000523717280 417092716 /nfs/dbraw/zinc/09/27/16/417092716.db2.gz DBOZJFSBKGONNH-UHFFFAOYSA-N 1 0 306.326 0.944 20 5 DCBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430627565 287348011 /nfs/dbraw/zinc/34/80/11/287348011.db2.gz MHYCQHOIUXTHOW-NXEZZACHSA-N 1 0 308.338 0.963 20 5 DCBDRO O=C(CNc1ncc([N+](=O)[O-])cn1)NCC[NH+]1CCCCCC1 ZINC000431494030 417127580 /nfs/dbraw/zinc/12/75/80/417127580.db2.gz FCIGIYBLUMRLLQ-UHFFFAOYSA-N 1 0 322.369 0.789 20 5 DCBDRO CC(=O)c1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569021434 417207219 /nfs/dbraw/zinc/20/72/19/417207219.db2.gz YSPHTQNQBSTVDX-YPMHNXCESA-N 1 0 318.333 0.546 20 5 DCBDRO CN(CC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1[N+](=O)[O-] ZINC000449702840 417166299 /nfs/dbraw/zinc/16/62/99/417166299.db2.gz VKQJIAMQLQIWRG-GFCCVEGCSA-N 1 0 321.381 0.051 20 5 DCBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000570836557 417399183 /nfs/dbraw/zinc/39/91/83/417399183.db2.gz GMPKARJSTAEFEC-DYEKYZERSA-N 1 0 312.370 0.947 20 5 DCBDRO COc1ccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571028475 417414789 /nfs/dbraw/zinc/41/47/89/417414789.db2.gz VAAGBNQZKADJPO-NSHDSACASA-N 1 0 323.353 0.710 20 5 DCBDRO O=C(NCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000570564659 417367400 /nfs/dbraw/zinc/36/74/00/417367400.db2.gz ZBFDSNGJQDUOLJ-GFCCVEGCSA-N 1 0 323.349 0.450 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415341845 417368463 /nfs/dbraw/zinc/36/84/63/417368463.db2.gz HZFJTSUTNPLTLX-VIFPVBQESA-N 1 0 322.321 0.362 20 5 DCBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000415349513 417369919 /nfs/dbraw/zinc/36/99/19/417369919.db2.gz XPWYKPMGZXEQNN-VIFPVBQESA-N 1 0 306.322 0.662 20 5 DCBDRO C[NH+]1CCC(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000572983105 417465538 /nfs/dbraw/zinc/46/55/38/417465538.db2.gz HEOSJTYOSNSYHY-UHFFFAOYSA-N 1 0 307.354 1.034 20 5 DCBDRO CC[N@H+](C)C[C@@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000576766909 417634864 /nfs/dbraw/zinc/63/48/64/417634864.db2.gz AOPGJCNOBJHVMK-CYBMUJFWSA-N 1 0 309.366 0.970 20 5 DCBDRO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000579255323 417689921 /nfs/dbraw/zinc/68/99/21/417689921.db2.gz BRIFVTSMJPMIME-ZYHUDNBSSA-N 1 0 321.381 1.444 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000579970893 417694637 /nfs/dbraw/zinc/69/46/37/417694637.db2.gz OFTHWOOSDRJPJW-MNOVXSKESA-N 1 0 319.365 1.340 20 5 DCBDRO C[NH+]1CCN(CCCSc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000578084321 417682453 /nfs/dbraw/zinc/68/24/53/417682453.db2.gz WBNPUGARILLFRK-UHFFFAOYSA-N 1 0 312.399 0.697 20 5 DCBDRO COc1cccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000580549894 417712450 /nfs/dbraw/zinc/71/24/50/417712450.db2.gz QQTDNVQZGLTDLO-JTQLQIEISA-N 1 0 309.322 0.793 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)s1 ZINC000237970518 261163730 /nfs/dbraw/zinc/16/37/30/261163730.db2.gz DZSFLJBDDDUSLZ-MRVPVSSYSA-N 1 0 305.381 0.934 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC[NH2+]C1CCCCCC1 ZINC000238147052 261165154 /nfs/dbraw/zinc/16/51/54/261165154.db2.gz NBMLFAAVMPNQHR-UHFFFAOYSA-N 1 0 310.358 0.615 20 5 DCBDRO COc1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313348313 261174193 /nfs/dbraw/zinc/17/41/93/261174193.db2.gz LCBDGOABRLWZOZ-LLVKDONJSA-N 1 0 309.322 0.793 20 5 DCBDRO CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000316576524 261175383 /nfs/dbraw/zinc/17/53/83/261175383.db2.gz LUBCKXFWZBOAED-GBXSZLQWSA-N 1 0 304.350 0.709 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354439133 261219499 /nfs/dbraw/zinc/21/94/99/261219499.db2.gz FOZQJJRSKUSRLN-VXGBXAGGSA-N 1 0 320.349 0.500 20 5 DCBDRO Cc1nn(C)c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363410468 262114394 /nfs/dbraw/zinc/11/43/94/262114394.db2.gz FTSHSPSJUIMFMA-NWDGAFQWSA-N 1 0 309.370 0.672 20 5 DCBDRO Cc1nn(C)c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363410470 262114528 /nfs/dbraw/zinc/11/45/28/262114528.db2.gz FTSHSPSJUIMFMA-RYUDHWBXSA-N 1 0 309.370 0.672 20 5 DCBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417921478 262265500 /nfs/dbraw/zinc/26/55/00/262265500.db2.gz ZYRJWTAGAOIWQR-UYVFGJEYSA-N 1 0 322.369 0.606 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417950158 262265857 /nfs/dbraw/zinc/26/58/57/262265857.db2.gz VVNDBZWOYVPXBJ-AWEZNQCLSA-N 1 0 322.365 0.815 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418779424 262289087 /nfs/dbraw/zinc/28/90/87/262289087.db2.gz JXZMWERCUPTCML-GWCFXTLKSA-N 1 0 322.365 0.872 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419152937 262313705 /nfs/dbraw/zinc/31/37/05/262313705.db2.gz OVZVFYDSEIVULG-WDEREUQCSA-N 1 0 320.349 0.640 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419153700 262313831 /nfs/dbraw/zinc/31/38/31/262313831.db2.gz PZEPEYHHLOGEEN-MNOVXSKESA-N 1 0 322.365 0.886 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000419963925 262354371 /nfs/dbraw/zinc/35/43/71/262354371.db2.gz WSKYQYLBQVHQTD-SNVBAGLBSA-N 1 0 308.338 0.264 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420153577 262364055 /nfs/dbraw/zinc/36/40/55/262364055.db2.gz ZZZQNQHCAPSXTP-JTQLQIEISA-N 1 0 308.338 0.277 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC1CC[NH2+]CC1 ZINC000420407923 262373906 /nfs/dbraw/zinc/37/39/06/262373906.db2.gz UZDITQPSCFGZRQ-UHFFFAOYSA-N 1 0 313.379 0.809 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000424023718 262477832 /nfs/dbraw/zinc/47/78/32/262477832.db2.gz QGSATDQTMUMAJK-LBPRGKRZSA-N 1 0 323.349 0.940 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000422794124 271387381 /nfs/dbraw/zinc/38/73/81/271387381.db2.gz YQOMCLSSJKSMON-SNVBAGLBSA-N 1 0 308.338 0.487 20 5 DCBDRO CN(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526696 271791356 /nfs/dbraw/zinc/79/13/56/271791356.db2.gz DUYCFPIPOMWGMH-FRRDWIJNSA-N 1 0 311.386 0.787 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000158368145 274956242 /nfs/dbraw/zinc/95/62/42/274956242.db2.gz ZRXZFSZRNARBRY-SECBINFHSA-N 1 0 316.317 1.000 20 5 DCBDRO C[C@@H](C[NH3+])CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420426851 278245398 /nfs/dbraw/zinc/24/53/98/278245398.db2.gz QQCUHOBOFQPUDQ-JTQLQIEISA-N 1 0 301.368 0.652 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000441615888 279288901 /nfs/dbraw/zinc/28/89/01/279288901.db2.gz SJMUXGWSORLULL-ZJUUUORDSA-N 1 0 324.337 0.503 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000420436606 280369727 /nfs/dbraw/zinc/36/97/27/280369727.db2.gz BCZMEEPUJJVRRJ-SNVBAGLBSA-N 1 0 321.305 0.870 20 5 DCBDRO Cn1cncc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584586758 337369666 /nfs/dbraw/zinc/36/96/66/337369666.db2.gz WQGJPBDRHMXFOI-ZDUSSCGKSA-N 1 0 306.322 0.858 20 5 DCBDRO COc1cccc(C(=O)NC[C@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000584589946 337370535 /nfs/dbraw/zinc/37/05/35/337370535.db2.gz BWOJYCJPZMPYQK-SNVBAGLBSA-N 1 0 309.322 0.712 20 5 DCBDRO C[C@H]1C[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000575923000 341814785 /nfs/dbraw/zinc/81/47/85/341814785.db2.gz SDGVQNBNDPZGOZ-DTWKUNHWSA-N 1 0 300.340 0.409 20 5 DCBDRO CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577608762 341922873 /nfs/dbraw/zinc/92/28/73/341922873.db2.gz BFGGWWOXDDXREE-JTQLQIEISA-N 1 0 314.367 0.752 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859334 533899295 /nfs/dbraw/zinc/89/92/95/533899295.db2.gz RFUARFQSYNWHST-JOYOIKCWSA-N 1 0 307.354 0.984 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([NH3+])CC1 ZINC000237620779 525232444 /nfs/dbraw/zinc/23/24/44/525232444.db2.gz CSAKLCKKPHTNQG-JTQLQIEISA-N 1 0 320.349 0.663 20 5 DCBDRO C[C@H](O)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190890427 525747675 /nfs/dbraw/zinc/74/76/75/525747675.db2.gz MYWQEMXQBCABKV-UWVGGRQHSA-N 1 0 311.338 0.257 20 5 DCBDRO O=C([C@@H]1CC[NH2+]C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237950792 526484659 /nfs/dbraw/zinc/48/46/59/526484659.db2.gz ANDLGZHTBHZAKX-MNOVXSKESA-N 1 0 305.338 0.612 20 5 DCBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000189448082 526996760 /nfs/dbraw/zinc/99/67/60/526996760.db2.gz QOKQKXHMOYETEB-UHFFFAOYSA-N 1 0 323.349 0.812 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000238054159 527234260 /nfs/dbraw/zinc/23/42/60/527234260.db2.gz PMQPZLYCXUAALJ-GFCCVEGCSA-N 1 0 316.321 0.739 20 5 DCBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000736758930 598501678 /nfs/dbraw/zinc/50/16/78/598501678.db2.gz KDYCORCQJXANPT-NSHDSACASA-N 1 0 318.341 0.922 20 5 DCBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@]1(F)CC[NH2+]C1 ZINC000178326571 657749788 /nfs/dbraw/zinc/74/97/88/657749788.db2.gz MARAPLLWSGZFIG-OAHLLOKOSA-N 1 0 322.340 0.945 20 5 DCBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000262492395 658093818 /nfs/dbraw/zinc/09/38/18/658093818.db2.gz VJJXPRGSSYYHHS-SECBINFHSA-N 1 0 317.367 0.880 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1C ZINC001022063856 658817099 /nfs/dbraw/zinc/81/70/99/658817099.db2.gz MVZDMDFGGOUPMW-LYIQGSDWSA-N 1 0 307.354 0.131 20 5 DCBDRO COCCN(C)CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000892802247 659463095 /nfs/dbraw/zinc/46/30/95/659463095.db2.gz SKMWBBGSAFZNQA-UHFFFAOYSA-N 1 0 313.354 0.977 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCc3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775200 659557025 /nfs/dbraw/zinc/55/70/25/659557025.db2.gz CZSLTNSMPADYQF-LJIZCISZSA-N 1 0 315.373 0.941 20 5 DCBDRO Cc1oncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775810 659557510 /nfs/dbraw/zinc/55/75/10/659557510.db2.gz NERVHTIRPONRCK-LBELIVKGSA-N 1 0 306.322 0.195 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000894110149 661490539 /nfs/dbraw/zinc/49/05/39/661490539.db2.gz BIJIEVRIXDKQLC-NSHDSACASA-N 1 0 322.369 0.119 20 5 DCBDRO C[NH2+][C@@H](C)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000261839778 661744484 /nfs/dbraw/zinc/74/44/84/661744484.db2.gz WEWSAMFOVVUSAL-ZETCQYMHSA-N 1 0 321.330 0.629 20 5 DCBDRO Cc1nc(C)c(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC000983653850 661998477 /nfs/dbraw/zinc/99/84/77/661998477.db2.gz LZFOYTWEIOOXBN-FDYHWXHSSA-N 1 0 322.365 0.941 20 5 DCBDRO Cn1ccc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985429614 662441245 /nfs/dbraw/zinc/44/12/45/662441245.db2.gz AXCOFYDRQSTMQM-ZIAGYGMSSA-N 1 0 321.381 0.508 20 5 DCBDRO O=C(NCC1CC1)[C@@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000054521637 662884362 /nfs/dbraw/zinc/88/43/62/662884362.db2.gz WUWYUBJGFYNKFO-GFCCVEGCSA-N 1 0 307.354 0.987 20 5 DCBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000898844801 663109966 /nfs/dbraw/zinc/10/99/66/663109966.db2.gz JAHWKZRVPPRXRI-RYUDHWBXSA-N 1 0 307.354 0.780 20 5 DCBDRO Cc1c(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000907695364 663712701 /nfs/dbraw/zinc/71/27/01/663712701.db2.gz KXJQDOCNECXHKA-IUODEOHRSA-N 1 0 307.350 0.975 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C(C)(C)C ZINC000912030946 664133240 /nfs/dbraw/zinc/13/32/40/664133240.db2.gz JMAAOHGARQBUME-SNVBAGLBSA-N 1 0 310.358 0.375 20 5 DCBDRO NC(=O)C(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001003535331 666323625 /nfs/dbraw/zinc/32/36/25/666323625.db2.gz RFYPYCLGVZWCEJ-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000863491060 667149528 /nfs/dbraw/zinc/14/95/28/667149528.db2.gz PRRQNVHKNSSHNM-CHWSQXEVSA-N 1 0 311.382 0.755 20 5 DCBDRO O=C1COC[C@]2(C[NH2+]Cc3ccccc3[N+](=O)[O-])COCCN12 ZINC000865799542 667348597 /nfs/dbraw/zinc/34/85/97/667348597.db2.gz BRCGZDNRCXCYLW-HNNXBMFYSA-N 1 0 321.333 0.312 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC[NH+](C)C)cc1F ZINC000866379465 667373531 /nfs/dbraw/zinc/37/35/31/667373531.db2.gz JVNMZBKYMCSLLI-UHFFFAOYSA-N 1 0 305.331 0.882 20 5 DCBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NCC[N@H+](C)CCO ZINC000884825966 667612783 /nfs/dbraw/zinc/61/27/83/667612783.db2.gz AMQXMFQOGMMSBR-UHFFFAOYSA-N 1 0 311.264 0.683 20 5 DCBDRO [NH3+]C1(CO)CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000754030231 668040332 /nfs/dbraw/zinc/04/03/32/668040332.db2.gz MDKXTCDZUIGFLP-UHFFFAOYSA-N 1 0 303.322 0.828 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889836700 668066679 /nfs/dbraw/zinc/06/66/79/668066679.db2.gz VUNIWTYSBXZPTL-UHFFFAOYSA-N 1 0 307.354 0.924 20 5 DCBDRO Cn1cc([C@@H](CO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000778135746 668894622 /nfs/dbraw/zinc/89/46/22/668894622.db2.gz FALPUQHJRGQTEZ-KGLIPLIRSA-N 1 0 306.322 0.685 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000880137930 669164242 /nfs/dbraw/zinc/16/42/42/669164242.db2.gz MYTYYUQTADLUKI-UONOGXRCSA-N 1 0 306.366 0.925 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000931654257 669241927 /nfs/dbraw/zinc/24/19/27/669241927.db2.gz ZTFRWQMSKJQMMT-LBPRGKRZSA-N 1 0 307.354 0.796 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C(C)(C)C ZINC000880614051 669249248 /nfs/dbraw/zinc/24/92/48/669249248.db2.gz PTTLMGVMJYXFHT-GFCCVEGCSA-N 1 0 309.370 0.980 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@@H]21 ZINC000881438909 669343372 /nfs/dbraw/zinc/34/33/72/669343372.db2.gz IYYKZIBZZYEBLC-CABZTGNLSA-N 1 0 306.322 0.862 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)n1 ZINC000934265113 669588810 /nfs/dbraw/zinc/58/88/10/669588810.db2.gz XIECKKBJPMJNSA-OLZOCXBDSA-N 1 0 309.370 0.322 20 5 DCBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(=O)N1CCCC1 ZINC000796581867 669936013 /nfs/dbraw/zinc/93/60/13/669936013.db2.gz JYCAZVBADUSYTB-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](CO)C[NH+]1CCCC1 ZINC000808220119 670399153 /nfs/dbraw/zinc/39/91/53/670399153.db2.gz XWMCIICRKXXEDW-ZDUSSCGKSA-N 1 0 307.350 0.710 20 5 DCBDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000857764136 670945925 /nfs/dbraw/zinc/94/59/25/670945925.db2.gz JAYSOPIZBKWAJT-SNVBAGLBSA-N 1 0 306.322 0.731 20 5 DCBDRO C[NH2+]CCOCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000858625039 671023895 /nfs/dbraw/zinc/02/38/95/671023895.db2.gz OCFNCMVACFWKNP-UHFFFAOYSA-N 1 0 321.330 0.248 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1CCC[NH2+]1 ZINC000818541635 671029755 /nfs/dbraw/zinc/02/97/55/671029755.db2.gz DCWDESVVMIEUJK-LLVKDONJSA-N 1 0 303.322 0.813 20 5 DCBDRO CS(=O)(=O)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818971979 671081550 /nfs/dbraw/zinc/08/15/50/671081550.db2.gz DTEHAMHMHHZDRT-GFCCVEGCSA-N 1 0 302.352 0.653 20 5 DCBDRO C[S@@](=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819033200 671087198 /nfs/dbraw/zinc/08/71/98/671087198.db2.gz MHXGGZRFJBFZAP-CFMSYZGJSA-N 1 0 302.352 0.303 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCN2CCCOCC2)c1 ZINC000819250891 671105920 /nfs/dbraw/zinc/10/59/20/671105920.db2.gz JGNLRPKHNUEWDS-OAHLLOKOSA-N 1 0 309.366 0.940 20 5 DCBDRO Cc1noc(CONC(=[NH2+])COC[C@H]2CCOC2)c1[N+](=O)[O-] ZINC000853726941 671262412 /nfs/dbraw/zinc/26/24/12/671262412.db2.gz ADJSBAYEOQHQHL-VIFPVBQESA-N 1 0 314.298 0.943 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000825179370 671451964 /nfs/dbraw/zinc/45/19/64/671451964.db2.gz VXOIXLUEYSPTNQ-LBPRGKRZSA-N 1 0 324.293 0.611 20 5 DCBDRO Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)c(N)c([N+](=O)[O-])c1 ZINC000825188765 671452138 /nfs/dbraw/zinc/45/21/38/671452138.db2.gz OHSGMOBYUWHXFN-SNVBAGLBSA-N 1 0 308.338 0.594 20 5 DCBDRO O=C(NCCN1CCCOCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830643680 671635743 /nfs/dbraw/zinc/63/57/43/671635743.db2.gz FRWVFDNKXIDSFI-CQSZACIVSA-N 1 0 323.349 0.467 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000841143148 671914405 /nfs/dbraw/zinc/91/44/05/671914405.db2.gz JGLQVXFNAHLZCF-SECBINFHSA-N 1 0 324.312 0.931 20 5 DCBDRO C[C@H]([NH3+])Cc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843223967 672072068 /nfs/dbraw/zinc/07/20/68/672072068.db2.gz HFGJQEIPCQCCIX-VIFPVBQESA-N 1 0 319.321 0.726 20 5 DCBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843461811 672098829 /nfs/dbraw/zinc/09/88/29/672098829.db2.gz RCYUEBSBXNSCCL-SNVBAGLBSA-N 1 0 324.293 0.611 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000843484438 672102781 /nfs/dbraw/zinc/10/27/81/672102781.db2.gz KGACNXQQOYWRSH-JTQLQIEISA-N 1 0 300.265 0.904 20 5 DCBDRO C[NH+]1CCN(C[C@H](O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000844943606 672210749 /nfs/dbraw/zinc/21/07/49/672210749.db2.gz TVOZPCUDOXZEJJ-NSHDSACASA-N 1 0 313.329 0.721 20 5 DCBDRO C[C@@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845917254 672282550 /nfs/dbraw/zinc/28/25/50/672282550.db2.gz JNDUHGSJBXPADJ-SNVBAGLBSA-N 1 0 314.367 0.752 20 5 DCBDRO Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001020138992 693709814 /nfs/dbraw/zinc/70/98/14/693709814.db2.gz LQEWCUZHJKQIKV-GWOFURMSSA-N 1 0 310.379 0.854 20 5 DCBDRO NC(=O)C(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC001072934464 694685800 /nfs/dbraw/zinc/68/58/00/694685800.db2.gz FUNREIADQYNHOQ-UHFFFAOYSA-N 1 0 318.333 0.114 20 5 DCBDRO COCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566751337 1160142713 /nfs/dbraw/zinc/14/27/13/1160142713.db2.gz LXKMMMFBKLBJAR-XJFOESAGSA-N 1 0 311.382 0.753 20 5 DCBDRO COc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001568848399 1160813674 /nfs/dbraw/zinc/81/36/74/1160813674.db2.gz JVDVCAUDFCVFIP-LLGAQUFESA-N 1 0 320.349 0.517 20 5 DCBDRO O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)C[C@@H]1CC[NH2+]C1 ZINC001574441365 1163727400 /nfs/dbraw/zinc/72/74/00/1163727400.db2.gz VQSLSNIPPOPYGI-SNVBAGLBSA-N 1 0 311.363 0.897 20 5 DCBDRO CC[NH2+]CC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC001577830309 1164809600 /nfs/dbraw/zinc/80/96/00/1164809600.db2.gz MUMONXZWYSCFBH-AWEZNQCLSA-N 1 0 309.322 0.709 20 5 DCBDRO O=C(NCC1([NH2+]CCc2cn[nH]n2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001577991512 1164878591 /nfs/dbraw/zinc/87/85/91/1164878591.db2.gz IEMWXRUUGGPVHI-VXGBXAGGSA-N 1 0 322.369 0.031 20 5 DCBDRO CN1CCOC[C@@H]1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578539638 1165051671 /nfs/dbraw/zinc/05/16/71/1165051671.db2.gz BXHBKHOISZWOMT-DZGCQCFKSA-N 1 0 322.365 0.216 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@]3(CC[NH2+]C3)C2)c1 ZINC001579242572 1165247883 /nfs/dbraw/zinc/24/78/83/1165247883.db2.gz SRKMUCFSNIMONB-OAHLLOKOSA-N 1 0 321.333 0.808 20 5 DCBDRO [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001580273704 1165553800 /nfs/dbraw/zinc/55/38/00/1165553800.db2.gz WEFVDYCHYMCOMR-JTQLQIEISA-N 1 0 316.321 0.351 20 5 DCBDRO [NH3+]CCn1cc(C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)nn1 ZINC001580320217 1165570250 /nfs/dbraw/zinc/57/02/50/1165570250.db2.gz SVDXTMBGNPBRIT-UHFFFAOYSA-N 1 0 320.284 0.487 20 5 DCBDRO O=C(NC1(CCO)C[NH2+]C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580595552 1165648021 /nfs/dbraw/zinc/64/80/21/1165648021.db2.gz LNHIWSOLTBMLAN-QWHCGFSZSA-N 1 0 305.334 0.539 20 5 DCBDRO O=C(NC[C@]12CCC[C@H]1[NH2+]CC2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001580708353 1165693435 /nfs/dbraw/zinc/69/34/35/1165693435.db2.gz MQDJFAIZYHAXJD-BXUZGUMPSA-N 1 0 306.322 0.957 20 5 DCBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590213246 1166816244 /nfs/dbraw/zinc/81/62/44/1166816244.db2.gz CWEVBALGIUIPJI-IUCAKERBSA-N 1 0 304.310 0.730 20 5 DCBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001591058475 1167097599 /nfs/dbraw/zinc/09/75/99/1167097599.db2.gz REQHBRXWIGQUTR-SECBINFHSA-N 1 0 318.341 0.700 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001591180670 1167133007 /nfs/dbraw/zinc/13/30/07/1167133007.db2.gz PBWSCHVBEAYUHT-CYBMUJFWSA-N 1 0 319.325 0.253 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCC[N@H+]1CC[C@@H](O)C1 ZINC001593483347 1167866415 /nfs/dbraw/zinc/86/64/15/1167866415.db2.gz NZPVRRAXXSOVPS-SECBINFHSA-N 1 0 319.325 0.253 20 5 DCBDRO CC(C)(C)[NH2+]CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609077104 1170800937 /nfs/dbraw/zinc/80/09/37/1170800937.db2.gz QAKLBSVJAIRRIE-UHFFFAOYSA-N 1 0 306.330 0.970 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC001609599873 1171039437 /nfs/dbraw/zinc/03/94/37/1171039437.db2.gz FTDFALQLUBBXJY-RISCZKNCSA-N 1 0 316.321 0.589 20 5 DCBDRO [NH3+]C[C@H]1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001610644454 1171279732 /nfs/dbraw/zinc/27/97/32/1171279732.db2.gz PKCLHUHOSQSNHL-LLVKDONJSA-N 1 0 309.322 0.839 20 5 DCBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001612950146 1171366588 /nfs/dbraw/zinc/36/65/88/1171366588.db2.gz GTWMTPXJHRVOSJ-GXSJLCMTSA-N 1 0 322.369 0.135 20 5 DCBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001618099954 1171394871 /nfs/dbraw/zinc/39/48/71/1171394871.db2.gz QPGQJCJKHUVBPZ-SKDRFNHKSA-N 1 0 323.353 0.060 20 5 DCBDRO CS(=O)(=O)CCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001621402176 1171410518 /nfs/dbraw/zinc/41/05/18/1171410518.db2.gz KKFQZEXYVSKSOZ-UHFFFAOYSA-N 1 0 316.383 0.909 20 5 DCBDRO CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001628115681 1171520070 /nfs/dbraw/zinc/52/00/70/1171520070.db2.gz RQDPINZCQOIASW-GFCCVEGCSA-N 1 0 305.338 0.738 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001635935929 1171718203 /nfs/dbraw/zinc/71/82/03/1171718203.db2.gz QMRJXTKVGMUROM-VIFPVBQESA-N 1 0 309.297 0.937 20 5 DCBDRO NS(=O)(=O)c1ccc(OC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000051882993 1171764699 /nfs/dbraw/zinc/76/46/99/1171764699.db2.gz KWAAHCLMBXEOOZ-SECBINFHSA-N 1 0 315.351 0.621 20 5 DCBDRO CCc1n[nH]c(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001639684848 1171845843 /nfs/dbraw/zinc/84/58/43/1171845843.db2.gz OEQUVCKAAKMUKN-OTYXRUKQSA-N 1 0 307.354 0.904 20 5 DCBDRO Cn1ncc2c1CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001643410163 1171974832 /nfs/dbraw/zinc/97/48/32/1171974832.db2.gz HKKPATDVXXUDHH-ZDUSSCGKSA-N 1 0 320.353 0.334 20 5 DCBDRO COC1(OC)CCOC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC001644360570 1172006695 /nfs/dbraw/zinc/00/66/95/1172006695.db2.gz XQGTZRQIEJTXTE-JTQLQIEISA-N 1 0 300.315 0.159 20 5 DCBDRO O=C(NC[C@@H]1C[NH+]2CCC1CC2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001648310488 1173071002 /nfs/dbraw/zinc/07/10/02/1173071002.db2.gz SSCLYPWUGQAMHK-LLVKDONJSA-N 1 0 306.322 0.767 20 5 DCBDRO CC(C)(C(=O)N1CC([NH2+][C@H]2CCOC2)C1)n1cc([N+](=O)[O-])cn1 ZINC001652690747 1173774717 /nfs/dbraw/zinc/77/47/17/1173774717.db2.gz MCWMEOKWGONYFY-JTQLQIEISA-N 1 0 323.353 0.116 20 5 DCBDRO CC[C@@H](C)[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001654461526 1173804903 /nfs/dbraw/zinc/80/49/03/1173804903.db2.gz NXTXVBWWVVGGBE-OCCSQVGLSA-N 1 0 311.386 0.568 20 5 DCBDRO O=C(CC[N@H+]1CC[C@@H](O)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654529584 1173806862 /nfs/dbraw/zinc/80/68/62/1173806862.db2.gz UCEGJVFJQHOQRT-OLZOCXBDSA-N 1 0 309.322 0.351 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCn3nccc32)c1 ZINC001654610998 1173807363 /nfs/dbraw/zinc/80/73/63/1173807363.db2.gz RVEFOXSLCCHJJE-NEPJUHHUSA-N 1 0 306.326 0.473 20 5 DCBDRO C[C@](CO)([NH2+]CCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001655318125 1173818012 /nfs/dbraw/zinc/81/80/12/1173818012.db2.gz RSAYVOCFNDCHIE-CYBMUJFWSA-N 1 0 316.379 0.827 20 5 DCBDRO Cc1ccc(C[NH2+]C[C@H](O)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001658694825 1173924915 /nfs/dbraw/zinc/92/49/15/1173924915.db2.gz LHIAARLAICLIAW-NSHDSACASA-N 1 0 302.352 0.398 20 5 DCBDRO O=C(C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)NC1CC1 ZINC001659138589 1173930401 /nfs/dbraw/zinc/93/04/01/1173930401.db2.gz JMVIXZFGHHOARF-UHFFFAOYSA-N 1 0 319.365 0.827 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cnco1 ZINC001664101599 1174396387 /nfs/dbraw/zinc/39/63/87/1174396387.db2.gz SQFMTUWMZSXMMG-UHFFFAOYSA-N 1 0 308.298 0.178 20 5 DCBDRO COCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001714518127 1181399155 /nfs/dbraw/zinc/39/91/55/1181399155.db2.gz JOXFJEMHJODPJT-CHWSQXEVSA-N 1 0 311.382 0.613 20 5 DCBDRO CN(CCN1CC[NH+](CCC2CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732063657 1185653557 /nfs/dbraw/zinc/65/35/57/1185653557.db2.gz RXUXJAKPKNYAPS-HUUCEWRRSA-N 1 0 324.425 0.528 20 5 DCBDRO O=[N+]([O-])c1cc(N2CCN3CC[NH2+]C[C@@H]3C2)nc2[nH]ccc21 ZINC001164408020 718836761 /nfs/dbraw/zinc/83/67/61/718836761.db2.gz XKVHGEHRCPHJCZ-SNVBAGLBSA-N 1 0 302.338 0.565 20 5 DCBDRO CCOc1nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164669219 719416319 /nfs/dbraw/zinc/41/63/19/719416319.db2.gz LITIGRWHLGCZLQ-RYUDHWBXSA-N 1 0 308.338 0.908 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000342703475 719486438 /nfs/dbraw/zinc/48/64/38/719486438.db2.gz KIDVSVIPUVXEGK-NWDGAFQWSA-N 1 0 322.321 0.296 20 5 DCBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925629 721868756 /nfs/dbraw/zinc/86/87/56/721868756.db2.gz OXGWENSKAFTQDB-RYUDHWBXSA-N 1 0 320.397 0.787 20 5 DCBDRO COC(=O)NCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124172399 751536148 /nfs/dbraw/zinc/53/61/48/751536148.db2.gz LPJCQAMQAFLJER-UHFFFAOYSA-N 1 0 310.310 0.157 20 5 DCBDRO CCC(=O)NCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124866655 751727705 /nfs/dbraw/zinc/72/77/05/751727705.db2.gz IBLRMBWJZYTTFJ-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001167185611 747014333 /nfs/dbraw/zinc/01/43/33/747014333.db2.gz HZWMQTLACGWBEI-USUYBEQLSA-N 1 0 322.321 0.186 20 5 DCBDRO COC(=O)C1(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CCCC1 ZINC001167715106 747865932 /nfs/dbraw/zinc/86/59/32/747865932.db2.gz OWOXPRRHKXDDEF-UHFFFAOYSA-N 1 0 321.337 0.969 20 5 DCBDRO O=C(CN1CCOCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125892429 747996314 /nfs/dbraw/zinc/99/63/14/747996314.db2.gz YHGFRNLRBODFQE-UHFFFAOYSA-N 1 0 322.365 0.133 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cncnc1 ZINC001126093623 748216729 /nfs/dbraw/zinc/21/67/29/748216729.db2.gz HPBFPLJNAXDIES-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-] ZINC001167896339 748469520 /nfs/dbraw/zinc/46/95/20/748469520.db2.gz SPRWJZUSAVMUQZ-SSDOTTSWSA-N 1 0 302.262 0.060 20 5 DCBDRO CN(CCN(C)c1ncccc1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001105554237 749868082 /nfs/dbraw/zinc/86/80/82/749868082.db2.gz UISKVCGQOWEBEB-UHFFFAOYSA-N 1 0 309.370 0.836 20 5 DCBDRO CN(C)c1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126932290 750143990 /nfs/dbraw/zinc/14/39/90/750143990.db2.gz QRGANRDRLDDLDK-ZIAGYGMSSA-N 1 0 306.366 0.624 20 5 DCBDRO O=C(NCC[NH2+]CCCOCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936673 750149332 /nfs/dbraw/zinc/14/93/32/750149332.db2.gz QCQVLGQJSKKKTQ-HUUCEWRRSA-N 1 0 321.377 0.964 20 5 DCBDRO COc1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1C ZINC001126936437 750149713 /nfs/dbraw/zinc/14/97/13/750149713.db2.gz HVFQIJKXSJSIJY-CHWSQXEVSA-N 1 0 307.350 0.875 20 5 DCBDRO Cn1ccc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])cc1=O ZINC001168398884 750454362 /nfs/dbraw/zinc/45/43/62/750454362.db2.gz FXCNATDNJPVAEJ-UHFFFAOYSA-N 1 0 316.321 0.382 20 5 DCBDRO COc1nc(SC)nc(-n2ccnc2C(N)=[NH2+])c1[N+](=O)[O-] ZINC001168411032 750626910 /nfs/dbraw/zinc/62/69/10/750626910.db2.gz BOFOPHHSAZHBPO-UHFFFAOYSA-N 1 0 309.311 0.585 20 5 DCBDRO Cn1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001045436318 753194032 /nfs/dbraw/zinc/19/40/32/753194032.db2.gz PTSVCHNXINXFOO-CHWSQXEVSA-N 1 0 321.381 0.556 20 5 DCBDRO CCOC(=O)CN(CCC[NH3+])c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001157549322 762287559 /nfs/dbraw/zinc/28/75/59/762287559.db2.gz IMTBAKSDNLVRLH-UHFFFAOYSA-N 1 0 312.326 0.255 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1=COCCC1 ZINC001155602220 759983862 /nfs/dbraw/zinc/98/38/62/759983862.db2.gz JKKFJOYGZVIIRV-UHFFFAOYSA-N 1 0 323.353 0.619 20 5 DCBDRO Cc1cc(-n2nnnc2C[NH3+])nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001168921233 760513628 /nfs/dbraw/zinc/51/36/28/760513628.db2.gz XAUVJTPNGNGUHZ-UHFFFAOYSA-N 1 0 312.293 0.795 20 5 DCBDRO COCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1=O ZINC001169020117 760559295 /nfs/dbraw/zinc/55/92/95/760559295.db2.gz IMUSWIWNWZKRKV-DGAVXFQQSA-N 1 0 311.382 0.468 20 5 DCBDRO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001169018956 760559653 /nfs/dbraw/zinc/55/96/53/760559653.db2.gz FRTHXUIETCMLNB-ODXJTPSBSA-N 1 0 311.382 0.752 20 5 DCBDRO COc1nc(N(C)[C@@]2(C)CCC[NH2+]C2)nc(OC)c1[N+](=O)[O-] ZINC001156967839 761621654 /nfs/dbraw/zinc/62/16/54/761621654.db2.gz JBONQVRSACDFOQ-ZDUSSCGKSA-N 1 0 311.342 0.980 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CCC([NH+](C)C)CC2)n1 ZINC001149005208 768065754 /nfs/dbraw/zinc/06/57/54/768065754.db2.gz ZAEYDGSUEZMIBO-UHFFFAOYSA-N 1 0 324.385 0.084 20 5 DCBDRO [NH3+]CCOCCOCCNc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001170507812 763406349 /nfs/dbraw/zinc/40/63/49/763406349.db2.gz JUUCNIUINHWMMZ-UHFFFAOYSA-N 1 0 310.314 0.222 20 5 DCBDRO COc1ncc([N+](=O)[O-])cc1NCCOCCOCC[NH3+] ZINC001170508359 763412593 /nfs/dbraw/zinc/41/25/93/763412593.db2.gz QAPOORYLRZYZGF-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCNC(=O)CC[NH+](C)C ZINC001100299502 763471589 /nfs/dbraw/zinc/47/15/89/763471589.db2.gz KJAJWZBZSCCWMM-UHFFFAOYSA-N 1 0 309.370 0.802 20 5 DCBDRO [NH3+]CCOCCOCCNc1cccc2ncc([N+](=O)[O-])n21 ZINC001170513560 763493734 /nfs/dbraw/zinc/49/37/34/763493734.db2.gz OMQUWFKYQFXONF-UHFFFAOYSA-N 1 0 309.326 0.646 20 5 DCBDRO CCN(CCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC001100700865 763733229 /nfs/dbraw/zinc/73/32/29/763733229.db2.gz RFGQPGSZXQPPJZ-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001170566168 763846893 /nfs/dbraw/zinc/84/68/93/763846893.db2.gz XJFAWOFEQCXYJX-GZMMTYOYSA-N 1 0 310.310 0.565 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])c(OC)nc1C ZINC001170872669 766178474 /nfs/dbraw/zinc/17/84/74/766178474.db2.gz SSQOXHOHTWUQLM-MWLCHTKSSA-N 1 0 324.337 0.870 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001159670733 766192478 /nfs/dbraw/zinc/19/24/78/766192478.db2.gz FZDJAIXEJMABPY-PHDIDXHHSA-N 1 0 319.774 0.752 20 5 DCBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@H]2C[NH2+]C[C@H]2CO)cnc1Cl ZINC001159672318 766198888 /nfs/dbraw/zinc/19/88/88/766198888.db2.gz OIQNGWRFARIBTQ-XPUUQOCRSA-N 1 0 322.699 0.862 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C[C@H]2COCCN2C)c1[N+](=O)[O-] ZINC001120059427 766891089 /nfs/dbraw/zinc/89/10/89/766891089.db2.gz NQNWWTVRHXRMKA-NSHDSACASA-N 1 0 311.338 0.729 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)n1 ZINC001147352422 767721750 /nfs/dbraw/zinc/72/17/50/767721750.db2.gz LLKAQUIBFHBNLY-SMDDNHRTSA-N 1 0 321.381 0.662 20 5 DCBDRO COCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147506243 767763957 /nfs/dbraw/zinc/76/39/57/767763957.db2.gz DSSQXMZWKIUHGE-CHWSQXEVSA-N 1 0 311.382 0.613 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001122324631 767770759 /nfs/dbraw/zinc/77/07/59/767770759.db2.gz QRQBHRXXNOFVNL-CQSZACIVSA-N 1 0 307.354 0.926 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC001149751162 768845536 /nfs/dbraw/zinc/84/55/36/768845536.db2.gz KVQONBNJNUYCEJ-UHFFFAOYSA-N 1 0 322.365 0.706 20 5 DCBDRO C[NH+](C)CC1(C(=O)NCCNc2ncccc2[N+](=O)[O-])CC1 ZINC001094090128 768856114 /nfs/dbraw/zinc/85/61/14/768856114.db2.gz ZEOVGTHSNAUZEF-UHFFFAOYSA-N 1 0 307.354 0.860 20 5 DCBDRO CC(C)C[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 ZINC001094291725 768978788 /nfs/dbraw/zinc/97/87/88/768978788.db2.gz SYOUXVFRESPOJV-CHWSQXEVSA-N 1 0 322.369 0.072 20 5 DCBDRO O=C(Cn1cncn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001150262235 769721450 /nfs/dbraw/zinc/72/14/50/769721450.db2.gz UUUSAFXWIIIIHL-UHFFFAOYSA-N 1 0 304.310 0.092 20 5 DCBDRO O=C(Cn1cncn1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175464694 769904530 /nfs/dbraw/zinc/90/45/30/769904530.db2.gz LHNPNRNWDVYAAG-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC001176464390 770108751 /nfs/dbraw/zinc/10/87/51/770108751.db2.gz WVFSJLFUTRSIDF-JTQLQIEISA-N 1 0 309.322 0.999 20 5 DCBDRO C[NH+](C)C[C@@H]1COCCN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001154974900 770357820 /nfs/dbraw/zinc/35/78/20/770357820.db2.gz ALAQCKAFZOIBBQ-SECBINFHSA-N 1 0 316.745 0.648 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2C[C@H](F)C[NH2+]2)n1 ZINC001155039248 770372873 /nfs/dbraw/zinc/37/28/73/770372873.db2.gz CYABWLVWCDXKNQ-IUCAKERBSA-N 1 0 312.305 0.764 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc(F)cc1[N+](=O)[O-] ZINC001155077422 770387017 /nfs/dbraw/zinc/38/70/17/770387017.db2.gz DWWRYSMWXUUMTP-UHFFFAOYSA-N 1 0 309.257 0.950 20 5 DCBDRO COc1cc(NCc2nnc3n2CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155429832 770499954 /nfs/dbraw/zinc/49/99/54/770499954.db2.gz DBGCPBUKVZAAPC-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO COc1cnc(NCc2nnc3n2CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155430208 770499995 /nfs/dbraw/zinc/49/99/95/770499995.db2.gz HIPSQRDLNYDYOX-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cnc3ccc([N+](=O)[O-])cc3n2)N1 ZINC001155570695 770547729 /nfs/dbraw/zinc/54/77/29/770547729.db2.gz OVRJNDJHHGLURN-BXUZGUMPSA-N 1 0 314.305 0.528 20 5 DCBDRO COc1nc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155592118 770558480 /nfs/dbraw/zinc/55/84/80/770558480.db2.gz MCKONPRYWYKDID-IINYFYTJSA-N 1 0 323.353 0.964 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155620543 770567810 /nfs/dbraw/zinc/56/78/10/770567810.db2.gz LMJAAMFNEIMWBE-RISCZKNCSA-N 1 0 308.338 0.860 20 5 DCBDRO Cc1nnc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC001178463905 770761037 /nfs/dbraw/zinc/76/10/37/770761037.db2.gz MNLZVFGHDAIJAA-VXGBXAGGSA-N 1 0 324.385 0.545 20 5 DCBDRO COCC(C)(C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156459600 770824795 /nfs/dbraw/zinc/82/47/95/770824795.db2.gz QUNUBLSRMFHNNF-UHFFFAOYSA-N 1 0 310.358 0.631 20 5 DCBDRO Cc1cc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)nn1C ZINC001156953115 770977933 /nfs/dbraw/zinc/97/79/33/770977933.db2.gz PXJOJTKIJNINLU-UHFFFAOYSA-N 1 0 303.326 0.726 20 5 DCBDRO CCC(CC)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775806 771670657 /nfs/dbraw/zinc/67/06/57/771670657.db2.gz XWMMEWRMUYDRCK-VXGBXAGGSA-N 1 0 314.386 0.052 20 5 DCBDRO Cc1cc(Cl)nc(-n2cncc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001158203534 771740234 /nfs/dbraw/zinc/74/02/34/771740234.db2.gz CUZRRQAWXUYAKT-MRVPVSSYSA-N 1 0 311.729 0.999 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](Nc2cc(Cl)ncc2[N+](=O)[O-])CN1 ZINC001158253820 771745596 /nfs/dbraw/zinc/74/55/96/771745596.db2.gz DMYMFUSDPMOYON-SVRRBLITSA-N 1 0 300.702 0.959 20 5 DCBDRO [NH3+]CCOCCOCCNc1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159444996 771911444 /nfs/dbraw/zinc/91/14/44/771911444.db2.gz COMZWTVNNVCFOL-UHFFFAOYSA-N 1 0 309.326 0.875 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001159503348 771920836 /nfs/dbraw/zinc/92/08/36/771920836.db2.gz WMKBYSMYJARKQL-LDYMZIIASA-N 1 0 310.310 0.565 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159679668 771943675 /nfs/dbraw/zinc/94/36/75/771943675.db2.gz VKCBLXCWYBJMQW-KWQFWETISA-N 1 0 310.310 0.159 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001159683251 771944744 /nfs/dbraw/zinc/94/47/44/771944744.db2.gz RXHOFGABVBOQBB-PSASIEDQSA-N 1 0 310.310 0.159 20 5 DCBDRO COCCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090440 771997024 /nfs/dbraw/zinc/99/70/24/771997024.db2.gz GULIWHDBOQMYJA-ZIAGYGMSSA-N 1 0 311.382 0.827 20 5 DCBDRO C[C@H]1C[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCO1 ZINC001161692828 772266946 /nfs/dbraw/zinc/26/69/46/772266946.db2.gz YQHHCYBDUFOZDO-WDEREUQCSA-N 1 0 322.369 0.774 20 5 DCBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001161934749 772301992 /nfs/dbraw/zinc/30/19/92/772301992.db2.gz WVUAMAXFPBTPNH-UHFFFAOYSA-N 1 0 321.249 0.934 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162102744 772326231 /nfs/dbraw/zinc/32/62/31/772326231.db2.gz PKAWACVCVMNGLL-JTQLQIEISA-N 1 0 323.353 0.482 20 5 DCBDRO NC(=O)c1ccnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163316985 772505470 /nfs/dbraw/zinc/50/54/70/772505470.db2.gz RRGTZBJBKKVARB-YMTOWFKASA-N 1 0 321.337 0.412 20 5 DCBDRO Cc1c[n+]([O-])c(NCC2([NH+](C)C)CCN(C)CC2)cc1[N+](=O)[O-] ZINC001164206877 772625819 /nfs/dbraw/zinc/62/58/19/772625819.db2.gz ISIOBMVNDDOHNY-UHFFFAOYSA-N 1 0 323.397 0.975 20 5 DCBDRO O=[N+]([O-])c1c(N2C[C@@H](F)[C@H](F)C2)ncnc1N1CC[NH2+]CC1 ZINC001164210006 772626508 /nfs/dbraw/zinc/62/65/08/772626508.db2.gz TZWUCHFIHVNBBC-RKDXNWHRSA-N 1 0 314.296 0.291 20 5 DCBDRO CCOC(=O)COc1ncc(N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001164281898 772636044 /nfs/dbraw/zinc/63/60/44/772636044.db2.gz QJLBBGLYEAQKRX-SECBINFHSA-N 1 0 310.310 0.469 20 5 DCBDRO COc1cc([N+](=O)[O-])c(N(C)S(=O)(=O)CC[NH3+])cc1F ZINC001164297177 772640680 /nfs/dbraw/zinc/64/06/80/772640680.db2.gz XGINPHYAPFMORM-UHFFFAOYSA-N 1 0 307.303 0.467 20 5 DCBDRO [NH3+][C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]1O ZINC001165147417 772700626 /nfs/dbraw/zinc/70/06/26/772700626.db2.gz IPUYNMQWZLPLFJ-HTRCEHHLSA-N 1 0 308.672 0.696 20 5 DCBDRO CCOc1nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)ccc1[N+](=O)[O-] ZINC001165270668 772713585 /nfs/dbraw/zinc/71/35/85/772713585.db2.gz JGKRNQPIQQSRKZ-JQWIXIFHSA-N 1 0 308.338 0.956 20 5 DCBDRO O=[N+]([O-])c1ccnc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1 ZINC001165343873 772725626 /nfs/dbraw/zinc/72/56/26/772725626.db2.gz KQRJOIVXGUMCQB-AWEZNQCLSA-N 1 0 308.338 0.575 20 5 DCBDRO CC1(C)CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1=O ZINC001166976960 772895429 /nfs/dbraw/zinc/89/54/29/772895429.db2.gz LVVBZCXPGVRKAU-UHFFFAOYSA-N 1 0 305.338 0.877 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccncc3[N+](=O)[O-])[C@H]2C1 ZINC001215998194 774098341 /nfs/dbraw/zinc/09/83/41/774098341.db2.gz XVFIFBLLQAIJIC-GARJFASQSA-N 1 0 305.338 0.873 20 5 DCBDRO O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC[C@H]1C[C@@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217884965 774205222 /nfs/dbraw/zinc/20/52/22/774205222.db2.gz WKDCBMSPNOTDMX-USZNOCQGSA-N 1 0 324.337 0.336 20 5 DCBDRO COC(=O)c1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)o1 ZINC001222783529 775427660 /nfs/dbraw/zinc/42/76/60/775427660.db2.gz VQXFDCZOOIJLJC-SNVBAGLBSA-N 1 0 300.331 0.567 20 5 DCBDRO COC(=O)c1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001223295408 775480378 /nfs/dbraw/zinc/48/03/78/775480378.db2.gz KEWBGUJSUGNVHC-GFCCVEGCSA-N 1 0 311.358 0.369 20 5 DCBDRO C[N+](C)(C)CCCO[C@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001224621226 775588646 /nfs/dbraw/zinc/58/86/46/775588646.db2.gz OBOUHDZMJRJABC-CQSZACIVSA-O 1 0 318.439 0.343 20 5 DCBDRO CC(=O)NCC[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001111309606 775728790 /nfs/dbraw/zinc/72/87/90/775728790.db2.gz UIQNZTQLGXBLMB-UHFFFAOYSA-N 1 0 323.353 0.708 20 5 DCBDRO CCOC(=O)c1cncnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226554577 775833318 /nfs/dbraw/zinc/83/33/18/775833318.db2.gz RFZPKYLRMMWYKR-SNVBAGLBSA-N 1 0 312.346 0.016 20 5 DCBDRO Cc1[nH]c(=O)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1[N+](=O)[O-] ZINC001228686870 776114303 /nfs/dbraw/zinc/11/43/03/776114303.db2.gz RWSKMYCNKBUNBB-SECBINFHSA-O 1 0 314.318 0.366 20 5 DCBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2c(c1)COC2 ZINC001266272805 939040244 /nfs/dbraw/zinc/04/02/44/939040244.db2.gz CLORQUDYEDCTGE-HUUCEWRRSA-N 1 0 319.361 0.930 20 5 DCBDRO O=C(NCc1ccc(CC[NH2+]CCO)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267097331 939340639 /nfs/dbraw/zinc/34/06/39/939340639.db2.gz ZVWXVZKOKACCIR-ZIAGYGMSSA-N 1 0 307.350 0.092 20 5 DCBDRO Cc1nn(C)c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001318606274 945412501 /nfs/dbraw/zinc/41/25/01/945412501.db2.gz GXRUTILYEJYHFH-JTQLQIEISA-N 1 0 324.385 0.002 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CNCCN1)CC2 ZINC001246493916 945418865 /nfs/dbraw/zinc/41/88/65/945418865.db2.gz GTLSNDDKBYGNQH-GJZGRUSLSA-N 1 0 304.394 0.993 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCNC[C@]13CC[NH2+]C3)C2 ZINC001246626600 945446259 /nfs/dbraw/zinc/44/62/59/945446259.db2.gz SMPVAOUYPIQJOU-JKSUJKDBSA-N 1 0 302.378 0.699 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]C[C@@H](O)C2)n1 ZINC001247749452 945572656 /nfs/dbraw/zinc/57/26/56/945572656.db2.gz PUXIZUHOMBUQHP-XPUUQOCRSA-N 1 0 309.257 0.617 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001319438122 945586484 /nfs/dbraw/zinc/58/64/84/945586484.db2.gz IHVFYOZLVCUCMX-CQSZACIVSA-N 1 0 310.354 0.679 20 5 DCBDRO COCC[N@H+](CCF)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323746409 947190198 /nfs/dbraw/zinc/19/01/98/947190198.db2.gz MOTZTHVOGPZQTK-CHWSQXEVSA-N 1 0 317.361 0.561 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC001325862100 947956317 /nfs/dbraw/zinc/95/63/17/947956317.db2.gz HMXQPBDQRLQYDA-GWCFXTLKSA-N 1 0 314.363 0.653 20 5 DCBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC001326166869 948080572 /nfs/dbraw/zinc/08/05/72/948080572.db2.gz PUPRHLIVMPYORY-CMPLNLGQSA-N 1 0 323.353 0.676 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001326367983 948138834 /nfs/dbraw/zinc/13/88/34/948138834.db2.gz GVPQHXNEVHVATO-LLVKDONJSA-N 1 0 322.365 0.829 20 5 DCBDRO NC(=O)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001264417748 948967427 /nfs/dbraw/zinc/96/74/27/948967427.db2.gz ZUJXRIBHTHZVAB-UMSPYCQHSA-N 1 0 320.349 0.455 20 5 DCBDRO NC(=O)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001488772868 949170489 /nfs/dbraw/zinc/17/04/89/949170489.db2.gz YFBWUPJJXHYCQE-JGZJWPJOSA-N 1 0 306.322 0.065 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCn3cncc3C2)c1[N+](=O)[O-] ZINC001331479664 951136753 /nfs/dbraw/zinc/13/67/53/951136753.db2.gz WQJZXGQGZXIXAU-SECBINFHSA-N 1 0 304.310 0.578 20 5 DCBDRO CC[N@H+](C)[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001478172536 1017324700 /nfs/dbraw/zinc/32/47/00/1017324700.db2.gz VUMOCOBNOYVVKY-NSHDSACASA-N 1 0 310.358 0.527 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331930444 951393474 /nfs/dbraw/zinc/39/34/74/951393474.db2.gz FYBKRFVLQDPWJK-ZFWWWQNUSA-N 1 0 305.334 0.892 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331930439 951393830 /nfs/dbraw/zinc/39/38/30/951393830.db2.gz FYBKRFVLQDPWJK-UKRRQHHQSA-N 1 0 305.334 0.892 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH2+]CCC12CCOCC2 ZINC001335301661 952516238 /nfs/dbraw/zinc/51/62/38/952516238.db2.gz WSXGTRFJOLJOKO-UHFFFAOYSA-N 1 0 308.338 0.908 20 5 DCBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001338798534 953052715 /nfs/dbraw/zinc/05/27/15/953052715.db2.gz XSHRGQODBCLIGX-NWDGAFQWSA-N 1 0 308.386 0.555 20 5 DCBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@]12CC[C@H]1C[NH2+]C2 ZINC001341873876 953256182 /nfs/dbraw/zinc/25/61/82/953256182.db2.gz CKEREEXQDULPHJ-NHYWBVRUSA-N 1 0 319.365 0.954 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC001343337861 953338063 /nfs/dbraw/zinc/33/80/63/953338063.db2.gz WWBPUUKAJAXJKV-FZMZJTMJSA-N 1 0 306.366 0.984 20 5 DCBDRO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345189585 953610499 /nfs/dbraw/zinc/61/04/99/953610499.db2.gz AUUQUKGFGFPUFJ-GFCCVEGCSA-N 1 0 318.333 0.305 20 5 DCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345993143 953782380 /nfs/dbraw/zinc/78/23/80/953782380.db2.gz MYZMOTJBPDNVKN-NXEZZACHSA-N 1 0 320.349 0.679 20 5 DCBDRO CC(C)[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001346939207 953986454 /nfs/dbraw/zinc/98/64/54/953986454.db2.gz YNMXXOQOMJWEDG-UHFFFAOYSA-N 1 0 308.386 0.995 20 5 DCBDRO COc1c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC001348966362 954550206 /nfs/dbraw/zinc/55/02/06/954550206.db2.gz UZFFVQNKUMRYMU-HNNXBMFYSA-N 1 0 323.349 0.742 20 5 DCBDRO C[C@@]1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC001349418544 954745386 /nfs/dbraw/zinc/74/53/86/954745386.db2.gz TVRKUQQCJGQVCN-CQSZACIVSA-N 1 0 308.338 0.262 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC001349840945 954903043 /nfs/dbraw/zinc/90/30/43/954903043.db2.gz NJEVOPCPUWTHQY-FRRDWIJNSA-N 1 0 321.381 0.980 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCC12CCC[NH+](CCC1)C2 ZINC001350122957 954995299 /nfs/dbraw/zinc/99/52/99/954995299.db2.gz ZTZRQOFAXRTYAF-UHFFFAOYSA-N 1 0 307.354 0.784 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001450601657 1015241901 /nfs/dbraw/zinc/24/19/01/1015241901.db2.gz KCNQYLMWDPUTIB-SSDOTTSWSA-N 1 0 317.733 0.158 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC[C@H](O)C1 ZINC001470022871 1016382141 /nfs/dbraw/zinc/38/21/41/1016382141.db2.gz XZIFBIGKAWHRIE-ZDUSSCGKSA-N 1 0 322.365 0.503 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001471214611 1016544664 /nfs/dbraw/zinc/54/46/64/1016544664.db2.gz JUMICWTUKGDRJK-MWLCHTKSSA-N 1 0 305.338 0.738 20 5 DCBDRO CC(C)C1(O)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001473883697 1016986013 /nfs/dbraw/zinc/98/60/13/1016986013.db2.gz QFCYRBBSKUVFBG-CYBMUJFWSA-N 1 0 312.370 0.635 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C[C@@H]2C1 ZINC001452721355 1007011800 /nfs/dbraw/zinc/01/18/00/1007011800.db2.gz ZGLGJBXNVQNHNL-SFYZADRCSA-N 1 0 313.745 0.995 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH2+][C@H](Cc2ccc(F)cc2)C1 ZINC001454257808 1009023488 /nfs/dbraw/zinc/02/34/88/1009023488.db2.gz APOOWMQWKMEWIV-MGPQQGTHSA-N 1 0 307.325 0.834 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)[C@H]2C1 ZINC001559303952 1012418697 /nfs/dbraw/zinc/41/86/97/1012418697.db2.gz JQEXICGFRPOGHD-UWJYBYFXSA-N 1 0 305.338 0.841 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001559909554 1012436114 /nfs/dbraw/zinc/43/61/14/1012436114.db2.gz IVXNAIUUCHSPDG-STQMWFEESA-N 1 0 323.349 0.571 20 5 DCBDRO Cn1cc(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)nn1 ZINC001560066355 1012439743 /nfs/dbraw/zinc/43/97/43/1012439743.db2.gz RMSLTVXNYVBVMZ-CQSZACIVSA-N 1 0 305.338 0.763 20 5 DCBDRO Cc1ncsc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497583434 1018247752 /nfs/dbraw/zinc/24/77/52/1018247752.db2.gz MTTTWGCDRVLONJ-WUNPDAOYSA-N 1 0 310.379 0.879 20 5 DCBDRO Cc1ccnc(CN(C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001502192998 1019800273 /nfs/dbraw/zinc/80/02/73/1019800273.db2.gz NBORJAAZAJIUHB-CHWSQXEVSA-N 1 0 321.381 0.731 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCOC2)cc1 ZINC000088694785 185262409 /nfs/dbraw/zinc/26/24/09/185262409.db2.gz LXINQXWNLLTXJC-JTQLQIEISA-N 1 0 315.351 0.252 20 5 DCBDRO Cc1n[nH]c(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000331032230 232385909 /nfs/dbraw/zinc/38/59/09/232385909.db2.gz HMPIBMHEJSNGBZ-SNVBAGLBSA-N 1 0 324.385 0.382 20 5 DCBDRO COC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279634336 215020756 /nfs/dbraw/zinc/02/07/56/215020756.db2.gz CGQOAKURGKOHIP-PWSUYJOCSA-N 1 0 311.338 0.909 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000272662170 210067061 /nfs/dbraw/zinc/06/70/61/210067061.db2.gz IBGQMTDRVRLXFF-SNVBAGLBSA-N 1 0 309.326 0.832 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000286906505 219220321 /nfs/dbraw/zinc/22/03/21/219220321.db2.gz HIDLMWGQDNJDDR-JTQLQIEISA-N 1 0 318.337 0.855 20 5 DCBDRO CCC[NH2+]CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000236847174 202035713 /nfs/dbraw/zinc/03/57/13/202035713.db2.gz JIQFLSJAIPGXIM-UHFFFAOYSA-N 1 0 318.337 0.905 20 5 DCBDRO COC(=O)CCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180412464 199155115 /nfs/dbraw/zinc/15/51/15/199155115.db2.gz KTSLHIVWXKBJQR-JTQLQIEISA-N 1 0 309.322 0.925 20 5 DCBDRO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C(CO)CO ZINC000162192249 291243508 /nfs/dbraw/zinc/24/35/08/291243508.db2.gz RRUNSIJLOXNQHC-UHFFFAOYSA-N 1 0 305.128 0.800 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000320712051 291256992 /nfs/dbraw/zinc/25/69/92/291256992.db2.gz KMOPAIIGIBWIPL-DZGCQCFKSA-N 1 0 320.349 0.345 20 5 DCBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000321662016 291257811 /nfs/dbraw/zinc/25/78/11/291257811.db2.gz QYXALIOMTAJCIS-WCQYABFASA-N 1 0 319.365 0.636 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000566005160 291263580 /nfs/dbraw/zinc/26/35/80/291263580.db2.gz VQKRBLDHPBTGBC-JQWIXIFHSA-N 1 0 306.326 0.022 20 5 DCBDRO [NH3+]CC[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000281627535 216433088 /nfs/dbraw/zinc/43/30/88/216433088.db2.gz CTWRGGIANHAVRU-LLVKDONJSA-N 1 0 308.338 0.344 20 5 DCBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000566455261 291303440 /nfs/dbraw/zinc/30/34/40/291303440.db2.gz LKCDRSLHZGDWAZ-OAHLLOKOSA-N 1 0 323.324 0.920 20 5 DCBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cc(F)cc([N+](=O)[O-])c1 ZINC000566455259 291303447 /nfs/dbraw/zinc/30/34/47/291303447.db2.gz LKCDRSLHZGDWAZ-HNNXBMFYSA-N 1 0 323.324 0.920 20 5 DCBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415731982 239626510 /nfs/dbraw/zinc/62/65/10/239626510.db2.gz VVHPRHSPRNBVGG-HQJQHLMTSA-N 1 0 310.285 0.621 20 5 DCBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C(C)(C)C[NH+]1CCCC1 ZINC000416096864 239663157 /nfs/dbraw/zinc/66/31/57/239663157.db2.gz DWSZKDMVYOLWBK-UHFFFAOYSA-N 1 0 310.358 0.519 20 5 DCBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1(C)C ZINC000281790703 216545847 /nfs/dbraw/zinc/54/58/47/216545847.db2.gz NZQIYESSNXIAOF-UHFFFAOYSA-N 1 0 309.370 0.679 20 5 DCBDRO CC(C)([NH3+])CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420065668 240014504 /nfs/dbraw/zinc/01/45/04/240014504.db2.gz XZBKSOLZLGMOGJ-UHFFFAOYSA-N 1 0 320.349 0.333 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425056068 240278517 /nfs/dbraw/zinc/27/85/17/240278517.db2.gz JMIHALIOYMYIEN-NWDGAFQWSA-N 1 0 307.354 0.652 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127093661 284205577 /nfs/dbraw/zinc/20/55/77/284205577.db2.gz PBJNSNUAZHJIHA-JTQLQIEISA-N 1 0 301.306 0.872 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](C2CCC2)CC1 ZINC000265039473 204359955 /nfs/dbraw/zinc/35/99/55/204359955.db2.gz YLFSKHJYDSSDJU-UHFFFAOYSA-N 1 0 320.349 0.453 20 5 DCBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000265082200 204385375 /nfs/dbraw/zinc/38/53/75/204385375.db2.gz XPQFXFDNRIWUHB-ZDUSSCGKSA-N 1 0 320.393 0.889 20 5 DCBDRO CCCc1n[nH]c(C(=O)N[C@@H](CC[NH3+])C(F)F)c1[N+](=O)[O-] ZINC000571799951 291533584 /nfs/dbraw/zinc/53/35/84/291533584.db2.gz YNZVNVYHYMJZJR-ZETCQYMHSA-N 1 0 305.285 0.983 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000288385000 220123707 /nfs/dbraw/zinc/12/37/07/220123707.db2.gz YAIIAJBGVGMBBK-UHFFFAOYSA-N 1 0 323.353 0.063 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](CO)C2CC2)c1 ZINC000572523538 291573098 /nfs/dbraw/zinc/57/30/98/291573098.db2.gz FXLYHSNHCMPGAB-OCCSQVGLSA-N 1 0 310.350 0.943 20 5 DCBDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000562995975 288614269 /nfs/dbraw/zinc/61/42/69/288614269.db2.gz NDOUSCDXDIHYQH-AAEUAGOBSA-N 1 0 309.322 0.155 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C2CC2)CC1 ZINC000065772740 184379491 /nfs/dbraw/zinc/37/94/91/184379491.db2.gz BRSHEUNZFRSPAH-UHFFFAOYSA-N 1 0 307.354 0.924 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)n1 ZINC000339763154 253140127 /nfs/dbraw/zinc/14/01/27/253140127.db2.gz XQEGRCUSJNQPAZ-KBPBESRZSA-N 1 0 310.354 0.701 20 5 DCBDRO COc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000163626496 220448061 /nfs/dbraw/zinc/44/80/61/220448061.db2.gz VBIJRUCGKHJJLW-SECBINFHSA-N 1 0 309.322 0.951 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000349935923 254305307 /nfs/dbraw/zinc/30/53/07/254305307.db2.gz KXJUVBGTHACGSF-ZJUUUORDSA-N 1 0 324.337 0.646 20 5 DCBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000350671601 254323381 /nfs/dbraw/zinc/32/33/81/254323381.db2.gz XXGAGTKESCZWAN-UHFFFAOYSA-N 1 0 324.381 0.898 20 5 DCBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000351535686 254344107 /nfs/dbraw/zinc/34/41/07/254344107.db2.gz FTXFMWSYPGFYTI-LLVKDONJSA-N 1 0 306.322 0.079 20 5 DCBDRO C[NH+](C)C/C=C/C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000271654698 209097950 /nfs/dbraw/zinc/09/79/50/209097950.db2.gz LIXVMLKWOCQJBT-LNMOPNHASA-N 1 0 323.349 0.223 20 5 DCBDRO O=c1nc([C@@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH][nH]1 ZINC000289567367 221073361 /nfs/dbraw/zinc/07/33/61/221073361.db2.gz YGWJGUWWKQNUHG-SECBINFHSA-N 1 0 307.314 0.082 20 5 DCBDRO C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000415853595 533585993 /nfs/dbraw/zinc/58/59/93/533585993.db2.gz UKHMWUQAEIAALR-QWRGUYRKSA-N 1 0 320.349 0.977 20 5 DCBDRO C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285112604 131139242 /nfs/dbraw/zinc/13/92/42/131139242.db2.gz KVTKOWUTIALTMP-VIFPVBQESA-N 1 0 318.337 0.981 20 5 DCBDRO COCCC[N@H+](CCOC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270566732 395784240 /nfs/dbraw/zinc/78/42/40/395784240.db2.gz MEXPRZIVKXXWCS-UHFFFAOYSA-N 1 0 313.354 0.741 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103554824 395774415 /nfs/dbraw/zinc/77/44/15/395774415.db2.gz HLFYVMUWEAXQEP-UHFFFAOYSA-N 1 0 324.356 0.940 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000052093310 395859274 /nfs/dbraw/zinc/85/92/74/395859274.db2.gz WYLOODULZHWKLY-ZETCQYMHSA-N 1 0 305.743 0.888 20 5 DCBDRO COC(=O)[C@@]1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246296924 395946265 /nfs/dbraw/zinc/94/62/65/395946265.db2.gz BSLZUQSPYUSFLY-YPMHNXCESA-N 1 0 312.326 0.037 20 5 DCBDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000276980325 396041365 /nfs/dbraw/zinc/04/13/65/396041365.db2.gz GSUGZLOUZTZHMF-UHFFFAOYSA-N 1 0 316.383 0.517 20 5 DCBDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000155514482 396053139 /nfs/dbraw/zinc/05/31/39/396053139.db2.gz HJPTZNJMARNPHU-UHFFFAOYSA-N 1 0 306.322 0.697 20 5 DCBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000157424223 396063592 /nfs/dbraw/zinc/06/35/92/396063592.db2.gz MZJXBKOSUZAQQR-FZMZJTMJSA-N 1 0 307.350 0.973 20 5 DCBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)O1 ZINC000261772530 396064501 /nfs/dbraw/zinc/06/45/01/396064501.db2.gz MMAFLFMWERZZAB-KGLIPLIRSA-N 1 0 305.334 0.986 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261798939 396066819 /nfs/dbraw/zinc/06/68/19/396066819.db2.gz YNEGYAFKWHZDHL-WPRPVWTQSA-N 1 0 315.351 0.714 20 5 DCBDRO COc1cc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000278576048 396132664 /nfs/dbraw/zinc/13/26/64/396132664.db2.gz FGNJNXMAMYZIOE-YMTOWFKASA-N 1 0 312.322 0.939 20 5 DCBDRO C[C@H]1C[N@H+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCO1 ZINC000277714535 396083305 /nfs/dbraw/zinc/08/33/05/396083305.db2.gz WURHNWGZBQHUHH-JTQLQIEISA-N 1 0 311.342 0.549 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCO1 ZINC000163191316 396085599 /nfs/dbraw/zinc/08/55/99/396085599.db2.gz LNPAPRYUFGWTFP-ZWNOBZJWSA-N 1 0 308.338 0.581 20 5 DCBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000074140160 396159170 /nfs/dbraw/zinc/15/91/70/396159170.db2.gz NYLFWUXUOAHSAX-GFCCVEGCSA-N 1 0 306.366 0.961 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000177096723 396166271 /nfs/dbraw/zinc/16/62/71/396166271.db2.gz QSJOCCXFAGIQRX-QWRGUYRKSA-N 1 0 307.354 0.923 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177169565 396168259 /nfs/dbraw/zinc/16/82/59/396168259.db2.gz XNPVEWNWEJCHAL-PSASIEDQSA-N 1 0 307.354 0.992 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[N@@H+]1C1CC1 ZINC000177188919 396168903 /nfs/dbraw/zinc/16/89/03/396168903.db2.gz SBTOMTORYABSDP-GHMZBOCLSA-N 1 0 320.349 0.498 20 5 DCBDRO C[C@H]1SCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000075749088 396186080 /nfs/dbraw/zinc/18/60/80/396186080.db2.gz CZVSPKSRGVHIHU-FOGDFJRCSA-N 1 0 300.384 0.978 20 5 DCBDRO C[C@]1(C(N)=O)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874572 396226772 /nfs/dbraw/zinc/22/67/72/396226772.db2.gz ZTOGKQMDXZFWHR-NHYWBVRUSA-N 1 0 323.349 0.532 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000264562606 396291790 /nfs/dbraw/zinc/29/17/90/396291790.db2.gz QWIKUKYPFIOTGX-LBPRGKRZSA-N 1 0 323.349 0.811 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@@H+]1C1CC1 ZINC000185281870 396323975 /nfs/dbraw/zinc/32/39/75/396323975.db2.gz STOFKFBYRYBCGK-RKDXNWHRSA-N 1 0 305.338 0.927 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@@H+]1C1CC1 ZINC000185281847 396324098 /nfs/dbraw/zinc/32/40/98/396324098.db2.gz STOFKFBYRYBCGK-IUCAKERBSA-N 1 0 305.338 0.927 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000580775499 396498998 /nfs/dbraw/zinc/49/89/98/396498998.db2.gz WRZYGTAPWCOYNV-NSHDSACASA-N 1 0 319.365 0.297 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000594738098 396503421 /nfs/dbraw/zinc/50/34/21/396503421.db2.gz HADMJSUURDLGDB-AAEUAGOBSA-N 1 0 324.768 0.992 20 5 DCBDRO C[N@@H+]1CC[C@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000580936893 396512424 /nfs/dbraw/zinc/51/24/24/396512424.db2.gz XRIZCHGUEWDUEG-LBPRGKRZSA-N 1 0 319.365 0.590 20 5 DCBDRO CC[N@H+](C)C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000516315659 396513435 /nfs/dbraw/zinc/51/34/35/396513435.db2.gz QTZSXBJJMZMDQQ-MRVPVSSYSA-N 1 0 312.351 0.679 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000372155306 396493203 /nfs/dbraw/zinc/49/32/03/396493203.db2.gz KAIJSFSXEGJTQV-OUCADQQQSA-N 1 0 310.354 0.511 20 5 DCBDRO Cc1nccn1C[C@@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581066779 396523334 /nfs/dbraw/zinc/52/33/34/396523334.db2.gz XHJDQPWIGLBMHF-FZMZJTMJSA-N 1 0 322.369 0.583 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000595054183 396546091 /nfs/dbraw/zinc/54/60/91/396546091.db2.gz ZAPNEDXMHDJMQH-PWSUYJOCSA-N 1 0 321.337 0.907 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)nc1 ZINC000595107859 396549334 /nfs/dbraw/zinc/54/93/34/396549334.db2.gz GQMDFFKNGVVBQM-MWLCHTKSSA-N 1 0 312.351 0.362 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595115513 396550785 /nfs/dbraw/zinc/55/07/85/396550785.db2.gz HAILUUIFAOVGEM-UHFFFAOYSA-N 1 0 317.367 0.961 20 5 DCBDRO Cc1noc(CN2CCc3nn(C)c(=O)cc3C2)c1[N+](=O)[O-] ZINC000595332483 396589936 /nfs/dbraw/zinc/58/99/36/396589936.db2.gz FYFJIPONSXGRRF-UHFFFAOYSA-N 1 0 305.294 0.543 20 5 DCBDRO CN1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715449 396617432 /nfs/dbraw/zinc/61/74/32/396617432.db2.gz UKROQKBRJJXARW-JQWIXIFHSA-N 1 0 309.322 0.155 20 5 DCBDRO C[C@@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428237 396674121 /nfs/dbraw/zinc/67/41/21/396674121.db2.gz UPRJHXYGTYEIDG-MRVPVSSYSA-N 1 0 307.310 0.379 20 5 DCBDRO [NH3+][C@H]1C[C@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000595930326 396684965 /nfs/dbraw/zinc/68/49/65/396684965.db2.gz RHASJCUMNAKEBD-HAQNSBGRSA-N 1 0 304.350 0.981 20 5 DCBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860172 396695847 /nfs/dbraw/zinc/69/58/47/396695847.db2.gz FDVOMOHTGUMBOO-GHMZBOCLSA-N 1 0 311.363 0.937 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000304287189 396728555 /nfs/dbraw/zinc/72/85/55/396728555.db2.gz BBGXLUFHBKKQLX-ZFWWWQNUSA-N 1 0 323.397 0.570 20 5 DCBDRO O=C([C@H]1CSCN1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315777998 396791105 /nfs/dbraw/zinc/79/11/05/396791105.db2.gz SGPJMPDMLSGRCT-LLVKDONJSA-N 1 0 323.378 0.301 20 5 DCBDRO Cc1cccc(C(=O)NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000316143372 396792283 /nfs/dbraw/zinc/79/22/83/396792283.db2.gz QRTVMOPTEYAZRW-UHFFFAOYSA-N 1 0 306.322 0.065 20 5 DCBDRO Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000563433637 396734028 /nfs/dbraw/zinc/73/40/28/396734028.db2.gz PHZUMUBFBHIDPW-KOLCDFICSA-N 1 0 308.313 0.791 20 5 DCBDRO C[NH+](C)CC1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000596246895 396742504 /nfs/dbraw/zinc/74/25/04/396742504.db2.gz JUXCFLNYZBBUBY-UHFFFAOYSA-N 1 0 314.367 0.240 20 5 DCBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](CCO)CCO ZINC000600179243 396750520 /nfs/dbraw/zinc/75/05/20/396750520.db2.gz LNPUVWBKNFAZEQ-NSHDSACASA-N 1 0 311.338 0.599 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000610756222 396760158 /nfs/dbraw/zinc/76/01/58/396760158.db2.gz CQZYWBGZKMRVMH-CHWSQXEVSA-N 1 0 306.322 0.213 20 5 DCBDRO Cc1nn(C)c(C)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000316712205 396797295 /nfs/dbraw/zinc/79/72/95/396797295.db2.gz KHMCFIRIKCUZBR-GFCCVEGCSA-N 1 0 308.342 0.292 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000316786516 396797667 /nfs/dbraw/zinc/79/76/67/396797667.db2.gz NGRNQBXKXKCHKD-UHFFFAOYSA-N 1 0 310.329 0.711 20 5 DCBDRO [NH3+]C1(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000322171568 396817769 /nfs/dbraw/zinc/81/77/69/396817769.db2.gz CVQRNHLIIUIBBQ-UHFFFAOYSA-N 1 0 319.365 0.910 20 5 DCBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000590930747 396856934 /nfs/dbraw/zinc/85/69/34/396856934.db2.gz BDWHJAAPNQONKH-NSHDSACASA-N 1 0 310.358 0.527 20 5 DCBDRO C[NH+](C)C(C)(C)CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000590570069 396799517 /nfs/dbraw/zinc/79/95/17/396799517.db2.gz UHKZKFFRWMTTTE-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590567146 396800358 /nfs/dbraw/zinc/80/03/58/396800358.db2.gz YCFJIGUKJRITQA-JQWIXIFHSA-N 1 0 308.338 0.308 20 5 DCBDRO CCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000320128991 396812959 /nfs/dbraw/zinc/81/29/59/396812959.db2.gz JBMHJKKAJRJLFI-CYBMUJFWSA-N 1 0 312.370 0.949 20 5 DCBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000321273936 396816181 /nfs/dbraw/zinc/81/61/81/396816181.db2.gz RZIPTPYPNHNZLQ-LBPRGKRZSA-N 1 0 319.365 0.638 20 5 DCBDRO Cc1c(CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600537338 396886929 /nfs/dbraw/zinc/88/69/29/396886929.db2.gz ZTTNZGVDYRZSBO-CYBMUJFWSA-N 1 0 307.350 0.629 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@H]1C[NH2+]CCCO1)OCCO2 ZINC000591281764 396893222 /nfs/dbraw/zinc/89/32/22/396893222.db2.gz DHUHJUNVNOJRGG-GFCCVEGCSA-N 1 0 323.349 0.834 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591361302 396910096 /nfs/dbraw/zinc/91/00/96/396910096.db2.gz SCWVQOQOTGRNPB-NSHDSACASA-N 1 0 307.354 0.774 20 5 DCBDRO CCN(CC[NH3+])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600716365 396928742 /nfs/dbraw/zinc/92/87/42/396928742.db2.gz KSCFAVCVTIYHPD-UHFFFAOYSA-N 1 0 310.310 0.543 20 5 DCBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCOCC[NH3+] ZINC000600734034 396934280 /nfs/dbraw/zinc/93/42/80/396934280.db2.gz NHEUKDHWWNXJGM-LLVKDONJSA-N 1 0 310.354 0.829 20 5 DCBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752099 396997323 /nfs/dbraw/zinc/99/73/23/396997323.db2.gz USGQYHGDXWPRFM-HONMWMINSA-N 1 0 309.370 0.225 20 5 DCBDRO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377593230 397107830 /nfs/dbraw/zinc/10/78/30/397107830.db2.gz MJCXTRYGUJTCBQ-VHSXEESVSA-N 1 0 323.353 0.473 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597653781 397046833 /nfs/dbraw/zinc/04/68/33/397046833.db2.gz LYXUIWCYYHDDPP-LBPRGKRZSA-N 1 0 320.349 0.588 20 5 DCBDRO COc1ccc(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000573018679 397126781 /nfs/dbraw/zinc/12/67/81/397126781.db2.gz AGMJHYXEAQAVPI-STQMWFEESA-N 1 0 323.349 0.279 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353214610 397144204 /nfs/dbraw/zinc/14/42/04/397144204.db2.gz GIKVWKYPYZPKSD-VIFPVBQESA-N 1 0 317.371 0.313 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592308006 397148946 /nfs/dbraw/zinc/14/89/46/397148946.db2.gz LHAWWRTXXAJJCJ-TVQRCGJNSA-N 1 0 309.322 0.792 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592307370 397149575 /nfs/dbraw/zinc/14/95/75/397149575.db2.gz GOGJKUWZQUAVCU-GXFFZTMASA-N 1 0 309.322 0.548 20 5 DCBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000592365721 397160398 /nfs/dbraw/zinc/16/03/98/397160398.db2.gz VBGTULASAAUCAJ-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO C[NH2+]CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592365379 397160416 /nfs/dbraw/zinc/16/04/16/397160416.db2.gz QSVTYQRSIPNGMK-UHFFFAOYSA-N 1 0 303.340 0.491 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000592370536 397163238 /nfs/dbraw/zinc/16/32/38/397163238.db2.gz MJEBZLYFQVWGTD-VIFPVBQESA-N 1 0 317.367 0.865 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000592390494 397168179 /nfs/dbraw/zinc/16/81/79/397168179.db2.gz XXDZVOWVKAUHQF-SNVBAGLBSA-N 1 0 312.351 0.410 20 5 DCBDRO C[C@H](O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592429242 397174107 /nfs/dbraw/zinc/17/41/07/397174107.db2.gz ARLORLBVOXPKTA-JTQLQIEISA-N 1 0 302.352 0.729 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364082232 397180891 /nfs/dbraw/zinc/18/08/91/397180891.db2.gz ZTBNRTQYQLSFBJ-LBPRGKRZSA-N 1 0 320.349 0.453 20 5 DCBDRO CCN1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676558 397193936 /nfs/dbraw/zinc/19/39/36/397193936.db2.gz GJUJOLLCFOHOER-NWDGAFQWSA-N 1 0 323.349 0.545 20 5 DCBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598341901 397216376 /nfs/dbraw/zinc/21/63/76/397216376.db2.gz HZLZLDFKPZZTJW-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO C[NH2+]CCCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598660983 397270284 /nfs/dbraw/zinc/27/02/84/397270284.db2.gz BDMNUZBRLNXOBR-UHFFFAOYSA-N 1 0 309.326 0.442 20 5 DCBDRO CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@H](C[NH3+])C1 ZINC000598913885 397306561 /nfs/dbraw/zinc/30/65/61/397306561.db2.gz RHMVWSKFPOQNQE-SNVBAGLBSA-N 1 0 311.317 0.841 20 5 DCBDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000574385421 397262092 /nfs/dbraw/zinc/26/20/92/397262092.db2.gz BGNNFSOTZXSYTK-GFCCVEGCSA-N 1 0 320.349 0.408 20 5 DCBDRO C[NH2+]CCOCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000599106692 397338296 /nfs/dbraw/zinc/33/82/96/397338296.db2.gz HJKRGQBHWBKDIV-UHFFFAOYSA-N 1 0 303.340 0.109 20 5 DCBDRO [NH3+]CC(=O)NCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000577629729 397348027 /nfs/dbraw/zinc/34/80/27/397348027.db2.gz LDXKBPXLAAWQDI-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO COC(=O)c1cnc(N2CC(N3CC[C@@H](O)C3)C2)c([N+](=O)[O-])c1 ZINC000593504521 397377467 /nfs/dbraw/zinc/37/74/67/397377467.db2.gz OKWNEGYLQQKSSN-LLVKDONJSA-N 1 0 322.321 0.032 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593612314 397409254 /nfs/dbraw/zinc/40/92/54/397409254.db2.gz KBCZYMLYIXWMJU-UHFFFAOYSA-N 1 0 313.329 0.707 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)CN1CCOCC1 ZINC000602844490 397499533 /nfs/dbraw/zinc/49/95/33/397499533.db2.gz UYPVPSZEHNVGOS-UHFFFAOYSA-N 1 0 311.386 0.800 20 5 DCBDRO COCC[NH2+]CCNC(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000579333627 397552357 /nfs/dbraw/zinc/55/23/57/397552357.db2.gz WPMDYYWDKCOQRA-UHFFFAOYSA-N 1 0 322.365 0.899 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000579142398 397529396 /nfs/dbraw/zinc/52/93/96/397529396.db2.gz CLKQWKHKEJOPDK-WPRPVWTQSA-N 1 0 324.312 0.491 20 5 DCBDRO Cc1c(NC(=O)C(=O)N(C)CCOCC[NH3+])cccc1[N+](=O)[O-] ZINC000599899795 397537692 /nfs/dbraw/zinc/53/76/92/397537692.db2.gz JKMSFSYLLUEIJW-UHFFFAOYSA-N 1 0 324.337 0.275 20 5 DCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000609268803 397768284 /nfs/dbraw/zinc/76/82/84/397768284.db2.gz CGDOQSSDLRHOQM-LLVKDONJSA-N 1 0 310.354 0.774 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1 ZINC000609665198 397788642 /nfs/dbraw/zinc/78/86/42/397788642.db2.gz CGZILEGTEANUSL-GFCCVEGCSA-N 1 0 321.381 0.775 20 5 DCBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261830695 158743986 /nfs/dbraw/zinc/74/39/86/158743986.db2.gz IAQYAYPEURTWES-LBPRGKRZSA-N 1 0 322.340 0.854 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261902582 158752178 /nfs/dbraw/zinc/75/21/78/158752178.db2.gz PALNDTGLSMDSOF-OAHLLOKOSA-N 1 0 318.377 0.643 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261902581 158752233 /nfs/dbraw/zinc/75/22/33/158752233.db2.gz PALNDTGLSMDSOF-HNNXBMFYSA-N 1 0 318.377 0.643 20 5 DCBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000319399170 159008314 /nfs/dbraw/zinc/00/83/14/159008314.db2.gz DXZHCAWJEUTYRR-CQSZACIVSA-N 1 0 305.338 0.740 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000368273359 159384819 /nfs/dbraw/zinc/38/48/19/159384819.db2.gz QFDGYMCPUDPGIW-UKRRQHHQSA-N 1 0 324.381 0.901 20 5 DCBDRO C[C@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193401558 287060825 /nfs/dbraw/zinc/06/08/25/287060825.db2.gz YGQRTZSCSIURGI-YUMQZZPRSA-N 1 0 305.381 0.933 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C[NH+](C)C)CC2)c1 ZINC000266378743 415139306 /nfs/dbraw/zinc/13/93/06/415139306.db2.gz MQMWKVUHJTWBIT-UHFFFAOYSA-N 1 0 322.365 0.814 20 5 DCBDRO CN1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679707 415183112 /nfs/dbraw/zinc/18/31/12/415183112.db2.gz VXAHFHONRWYMJX-NFAWXSAZSA-N 1 0 323.397 0.931 20 5 DCBDRO NC(=O)NC(=O)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000052844618 415319990 /nfs/dbraw/zinc/31/99/90/415319990.db2.gz TVPJNQXTJWWIAC-UHFFFAOYSA-N 1 0 321.337 0.302 20 5 DCBDRO C[N@H+](CCC(N)=O)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353192262 415467877 /nfs/dbraw/zinc/46/78/77/415467877.db2.gz LCFIDBOGWIYSRY-LBPRGKRZSA-N 1 0 306.322 0.507 20 5 DCBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000353373939 415524603 /nfs/dbraw/zinc/52/46/03/415524603.db2.gz UMXJQTZLMWUYTI-VIFPVBQESA-N 1 0 319.387 0.607 20 5 DCBDRO CC[N@H+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)C ZINC000343309248 415549601 /nfs/dbraw/zinc/54/96/01/415549601.db2.gz WLFMYXQDSNXOGQ-UHFFFAOYSA-N 1 0 310.354 0.603 20 5 DCBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)c([N+](=O)[O-])cc1O ZINC000353690972 415627947 /nfs/dbraw/zinc/62/79/47/415627947.db2.gz SLOBMKXGTPXGRO-WDEREUQCSA-N 1 0 312.322 0.939 20 5 DCBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000343383240 415583227 /nfs/dbraw/zinc/58/32/27/415583227.db2.gz HQZINXBREVMBCV-KBPBESRZSA-N 1 0 312.370 0.947 20 5 DCBDRO Cc1cnn([C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000289869929 415729140 /nfs/dbraw/zinc/72/91/40/415729140.db2.gz LRASWZFDSZTCTD-OCCSQVGLSA-N 1 0 320.353 0.604 20 5 DCBDRO C[NH2+]CCCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000121469331 415803654 /nfs/dbraw/zinc/80/36/54/415803654.db2.gz FPECXBSYIYNDJZ-UHFFFAOYSA-N 1 0 318.337 0.823 20 5 DCBDRO CN(C)CC[N@H+](C)CCCN(C)Cc1c([N+](=O)[O-])ncn1C ZINC000344009697 415817668 /nfs/dbraw/zinc/81/76/68/415817668.db2.gz BKTAQFMFHJPIMV-UHFFFAOYSA-N 1 0 312.418 0.644 20 5 DCBDRO Cn1c(C(=O)NCCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000344873946 416000831 /nfs/dbraw/zinc/00/08/31/416000831.db2.gz MDEBNOQUCSGBKI-UHFFFAOYSA-N 1 0 309.370 0.301 20 5 DCBDRO Cc1cc(NC(=O)C(=O)NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000297890529 415981054 /nfs/dbraw/zinc/98/10/54/415981054.db2.gz OBMQMELDHCIUQW-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC1 ZINC000337603900 415984089 /nfs/dbraw/zinc/98/40/89/415984089.db2.gz UHKJTVLZEQDDER-UHFFFAOYSA-N 1 0 306.322 0.147 20 5 DCBDRO CNS(=O)(=O)c1ccc(NC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000298282391 415999748 /nfs/dbraw/zinc/99/97/48/415999748.db2.gz GEVYCJLPSUSOPD-SECBINFHSA-N 1 0 316.383 0.865 20 5 DCBDRO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1C[NH2+]C1 ZINC000357237904 416050184 /nfs/dbraw/zinc/05/01/84/416050184.db2.gz HOJQBMVNHKHMLG-ZYHUDNBSSA-N 1 0 319.365 0.858 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000357042138 416025771 /nfs/dbraw/zinc/02/57/71/416025771.db2.gz GCTWCHMCWMTQQP-GFCCVEGCSA-N 1 0 313.383 0.495 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCCCC[NH+]1CCCC1 ZINC000357052864 416027643 /nfs/dbraw/zinc/02/76/43/416027643.db2.gz DZLYJPVQJMEOLR-UHFFFAOYSA-N 1 0 310.358 0.569 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000357577410 416099140 /nfs/dbraw/zinc/09/91/40/416099140.db2.gz AUOZORJMBMDJHL-SECBINFHSA-N 1 0 324.337 0.608 20 5 DCBDRO C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000357583612 416100440 /nfs/dbraw/zinc/10/04/40/416100440.db2.gz PXCATEKGCOWITE-MRVPVSSYSA-N 1 0 312.301 0.739 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)n1 ZINC000176240535 416122385 /nfs/dbraw/zinc/12/23/85/416122385.db2.gz HBIRPULHEXHXID-CQSZACIVSA-N 1 0 323.397 0.836 20 5 DCBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000357910290 416152458 /nfs/dbraw/zinc/15/24/58/416152458.db2.gz FFFJAMVYGFUFCJ-LBPRGKRZSA-N 1 0 324.385 0.815 20 5 DCBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C[NH3+])C1 ZINC000358158129 416203274 /nfs/dbraw/zinc/20/32/74/416203274.db2.gz XJODRIQUEFOFRD-GWCFXTLKSA-N 1 0 308.338 0.581 20 5 DCBDRO C[C@H]1C[N@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662385 416225237 /nfs/dbraw/zinc/22/52/37/416225237.db2.gz DHJVDCBGBWIHCE-GXTWGEPZSA-N 1 0 309.366 0.970 20 5 DCBDRO CCO[C@H]1C[C@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000190023016 416274651 /nfs/dbraw/zinc/27/46/51/416274651.db2.gz USIUVSLKUJZLAG-GXTWGEPZSA-N 1 0 312.370 0.947 20 5 DCBDRO C[NH+](C)CCOC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000351830487 416283164 /nfs/dbraw/zinc/28/31/64/416283164.db2.gz SIMRVPUVKYWDKX-UHFFFAOYSA-N 1 0 310.358 0.514 20 5 DCBDRO Cc1nn(C)c(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000358899995 416291553 /nfs/dbraw/zinc/29/15/53/416291553.db2.gz JWWZKZAICHZAHX-SNVBAGLBSA-N 1 0 310.358 0.388 20 5 DCBDRO Cc1cc(C(=O)NCCCN2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000237723614 416328756 /nfs/dbraw/zinc/32/87/56/416328756.db2.gz RHZLYTAAEVGJLL-UHFFFAOYSA-N 1 0 306.366 0.928 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000419760282 416408944 /nfs/dbraw/zinc/40/89/44/416408944.db2.gz NHKZTXFMIVHZNA-LLVKDONJSA-N 1 0 306.322 0.079 20 5 DCBDRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583435429 416463237 /nfs/dbraw/zinc/46/32/37/416463237.db2.gz CFSHCKPZZYVHGG-DGCLKSJQSA-N 1 0 320.353 0.553 20 5 DCBDRO CNc1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000533110515 416474727 /nfs/dbraw/zinc/47/47/27/416474727.db2.gz VINJUXYTANDXOZ-AWEZNQCLSA-N 1 0 310.354 0.679 20 5 DCBDRO CNc1nccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000590422882 416527595 /nfs/dbraw/zinc/52/75/95/416527595.db2.gz KCYIAOKKYHFTST-LLVKDONJSA-N 1 0 321.381 1.493 20 5 DCBDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000362027198 416546798 /nfs/dbraw/zinc/54/67/98/416546798.db2.gz NRJSKZYETZWBMT-CHWSQXEVSA-N 1 0 311.338 0.540 20 5 DCBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCO1 ZINC000423998075 416603450 /nfs/dbraw/zinc/60/34/50/416603450.db2.gz ZJQIMCWFMNQGLK-NSHDSACASA-N 1 0 308.338 0.501 20 5 DCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596198253 416580333 /nfs/dbraw/zinc/58/03/33/416580333.db2.gz YFQNWXBRWRHDRV-NSHDSACASA-N 1 0 308.386 1.010 20 5 DCBDRO O=C1C[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1 ZINC000514931865 416683782 /nfs/dbraw/zinc/68/37/82/416683782.db2.gz APKJTJXYLXUVPQ-PWSUYJOCSA-N 1 0 309.322 0.060 20 5 DCBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000514951496 416686058 /nfs/dbraw/zinc/68/60/58/416686058.db2.gz LOUJCLWSGCAFRW-MFKMUULPSA-N 1 0 303.322 0.824 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425499862 416709579 /nfs/dbraw/zinc/70/95/79/416709579.db2.gz BRLQXHKZYZQGGA-GFCCVEGCSA-N 1 0 318.337 0.685 20 5 DCBDRO CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000516276918 416720026 /nfs/dbraw/zinc/72/00/26/416720026.db2.gz QHRGZQLGIUUFMM-STQMWFEESA-N 1 0 323.349 0.545 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000516563026 416725897 /nfs/dbraw/zinc/72/58/97/416725897.db2.gz OLIFDUFXWIRDCC-VIFPVBQESA-N 1 0 323.305 0.084 20 5 DCBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370002110 416865252 /nfs/dbraw/zinc/86/52/52/416865252.db2.gz MSOMNQNTJQEWSX-LLVKDONJSA-N 1 0 308.342 0.281 20 5 DCBDRO CC(C)Oc1nc(NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000563355798 416879126 /nfs/dbraw/zinc/87/91/26/416879126.db2.gz WKHAHOBLCSNGDC-NSHDSACASA-N 1 0 309.370 1.093 20 5 DCBDRO CCC[N@H+](CC)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000563638655 416885087 /nfs/dbraw/zinc/88/50/87/416885087.db2.gz WLEVQYGMNRBYIH-UHFFFAOYSA-N 1 0 309.370 1.493 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)CC(F)(F)F)c1 ZINC000518374753 416853948 /nfs/dbraw/zinc/85/39/48/416853948.db2.gz GQUBAFHRGIWNCU-IONNQARKSA-N 1 0 312.248 0.055 20 5 DCBDRO CC[NH+]1CCC(NC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000561100068 416856590 /nfs/dbraw/zinc/85/65/90/416856590.db2.gz DHZBJNAXATUBMJ-UHFFFAOYSA-N 1 0 307.354 1.246 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000428429203 416898702 /nfs/dbraw/zinc/89/87/02/416898702.db2.gz FIBSKMZBBJEYAS-NSHDSACASA-N 1 0 321.333 0.729 20 5 DCBDRO NC(=O)NC(=O)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000446735629 416944121 /nfs/dbraw/zinc/94/41/21/416944121.db2.gz LATDGSGMEMIEKD-UHFFFAOYSA-N 1 0 306.322 0.928 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)C[NH3+] ZINC000447237107 416971752 /nfs/dbraw/zinc/97/17/52/416971752.db2.gz FRFOKNVVNVSRIZ-MRVPVSSYSA-N 1 0 303.340 0.477 20 5 DCBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429761201 416993772 /nfs/dbraw/zinc/99/37/72/416993772.db2.gz DBLQDBIIRKTCRY-BZPMIXESSA-N 1 0 312.370 0.635 20 5 DCBDRO O=C(C[C@@H]1C[NH2+]CCO1)NCCNc1ccccc1[N+](=O)[O-] ZINC000429776889 416997332 /nfs/dbraw/zinc/99/73/32/416997332.db2.gz UYBFPVNMSCCVJI-LLVKDONJSA-N 1 0 308.338 0.501 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000429967946 417008104 /nfs/dbraw/zinc/00/81/04/417008104.db2.gz GUBQTXNZZLAAIH-CYBMUJFWSA-N 1 0 323.349 0.988 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447900553 417035485 /nfs/dbraw/zinc/03/54/85/417035485.db2.gz CQACBOGSWHCMQP-KBPBESRZSA-N 1 0 323.349 0.971 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447919459 417043136 /nfs/dbraw/zinc/04/31/36/417043136.db2.gz DYIXVJBSSJNEDX-ZIAGYGMSSA-N 1 0 323.349 0.971 20 5 DCBDRO CNc1nccc(C(=O)NCCC[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000566687574 417052166 /nfs/dbraw/zinc/05/21/66/417052166.db2.gz OFARGGUJRRSTHZ-UHFFFAOYSA-N 1 0 309.370 1.492 20 5 DCBDRO [NH3+][C@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430952583 417086251 /nfs/dbraw/zinc/08/62/51/417086251.db2.gz QMSRZTJGGBYNRV-JTQLQIEISA-N 1 0 306.322 0.926 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449584909 417152700 /nfs/dbraw/zinc/15/27/00/417152700.db2.gz DNFBOKKGBBTENS-ZJUUUORDSA-N 1 0 308.338 0.567 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000449708143 417169413 /nfs/dbraw/zinc/16/94/13/417169413.db2.gz UDXZFLOLHDYSHX-SNVBAGLBSA-N 1 0 319.321 0.579 20 5 DCBDRO Cc1ccc(NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414656744 417292588 /nfs/dbraw/zinc/29/25/88/417292588.db2.gz JDBBCKVEGXNBIR-GFCCVEGCSA-N 1 0 307.354 0.928 20 5 DCBDRO CC(C)OC[C@H](CO)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000433164983 417237130 /nfs/dbraw/zinc/23/71/30/417237130.db2.gz GZGOSSJDUPDIJX-ZDUSSCGKSA-N 1 0 313.354 0.474 20 5 DCBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000570570340 417369511 /nfs/dbraw/zinc/36/95/11/417369511.db2.gz VLSCNAYFCDVYMP-QLHKPRNWSA-N 1 0 307.354 0.814 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000570630734 417375727 /nfs/dbraw/zinc/37/57/27/417375727.db2.gz PKPXTMWNTTZKAT-LLVKDONJSA-N 1 0 307.306 0.815 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000531155714 417608387 /nfs/dbraw/zinc/60/83/87/417608387.db2.gz KPHYCVQXLLTXFX-GFCCVEGCSA-N 1 0 322.365 0.728 20 5 DCBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000394076233 262161944 /nfs/dbraw/zinc/16/19/44/262161944.db2.gz PWSAPQMJPPIVHL-NSHDSACASA-N 1 0 308.338 0.237 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000394761278 262162748 /nfs/dbraw/zinc/16/27/48/262162748.db2.gz FOXMOURQSDHOFK-MRVPVSSYSA-N 1 0 308.367 0.915 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418376941 262275907 /nfs/dbraw/zinc/27/59/07/262275907.db2.gz IXHRKBAORKWODS-JTQLQIEISA-N 1 0 306.322 0.729 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000418772934 262288607 /nfs/dbraw/zinc/28/86/07/262288607.db2.gz BSPCKUHLWIYODT-SNVBAGLBSA-N 1 0 320.349 0.770 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418870995 262294473 /nfs/dbraw/zinc/29/44/73/262294473.db2.gz QHMWGWAYPKSCLF-LLVKDONJSA-N 1 0 322.365 0.225 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419152044 262313658 /nfs/dbraw/zinc/31/36/58/262313658.db2.gz NWIRIQZJIAHWPX-BXKDBHETSA-N 1 0 320.349 0.626 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419157779 262314628 /nfs/dbraw/zinc/31/46/28/262314628.db2.gz WQRJHCUMWWXERM-CMPLNLGQSA-N 1 0 322.365 0.872 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419992117 262356010 /nfs/dbraw/zinc/35/60/10/262356010.db2.gz LIRQWJNWNRJKRR-SNVBAGLBSA-N 1 0 320.349 0.333 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000419999161 262356970 /nfs/dbraw/zinc/35/69/70/262356970.db2.gz RMTDZLBHLZPFBU-LLVKDONJSA-N 1 0 322.365 0.449 20 5 DCBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1[NH3+] ZINC000420374876 262372792 /nfs/dbraw/zinc/37/27/92/262372792.db2.gz OBXNFIXJDQXGIV-HONMWMINSA-N 1 0 304.350 0.979 20 5 DCBDRO CC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420985384 262389271 /nfs/dbraw/zinc/38/92/71/262389271.db2.gz KXMIQKATRGUDBU-OCCSQVGLSA-N 1 0 323.349 0.545 20 5 DCBDRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000422627223 262421018 /nfs/dbraw/zinc/42/10/18/262421018.db2.gz NKSIGPVOTMRAFU-LLVKDONJSA-N 1 0 301.306 0.708 20 5 DCBDRO Cc1nn(CCC(=O)N2CCC[C@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000428526342 262587980 /nfs/dbraw/zinc/58/79/80/262587980.db2.gz RYLUATBUKRYETP-GFCCVEGCSA-N 1 0 309.370 0.996 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420219229 271367355 /nfs/dbraw/zinc/36/73/55/271367355.db2.gz POSKZQDFBNBCHX-SSDOTTSWSA-N 1 0 305.381 0.858 20 5 DCBDRO CC[NH2+]CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422775637 271385175 /nfs/dbraw/zinc/38/51/75/271385175.db2.gz AXLFZYXEMLDBBS-UHFFFAOYSA-N 1 0 308.338 0.359 20 5 DCBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000422921459 271392787 /nfs/dbraw/zinc/39/27/87/271392787.db2.gz PXDKVHJVFIOWTH-WBMJQRKESA-N 1 0 316.361 0.995 20 5 DCBDRO CC(C)(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000494878803 272233424 /nfs/dbraw/zinc/23/34/24/272233424.db2.gz PONJCGIGVJIYCS-PWSUYJOCSA-N 1 0 307.354 0.737 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[N@H+](CCO)CC2)n1 ZINC000281069345 274003906 /nfs/dbraw/zinc/00/39/06/274003906.db2.gz AGCRGZIYWUSIJL-UHFFFAOYSA-N 1 0 324.337 0.281 20 5 DCBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000548050787 288106220 /nfs/dbraw/zinc/10/62/20/288106220.db2.gz BEBBAIHCFPPHKW-NSHDSACASA-N 1 0 324.381 0.851 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261703386 279875210 /nfs/dbraw/zinc/87/52/10/279875210.db2.gz ISSZWAGCEOBQBR-IONNQARKSA-N 1 0 303.315 0.702 20 5 DCBDRO O=[N+]([O-])c1c(N2CC[C@@H](N3CC[NH2+]CC3)C2)nc2sccn21 ZINC000262563012 280354047 /nfs/dbraw/zinc/35/40/47/280354047.db2.gz VXFQZHATBDFGFB-SNVBAGLBSA-N 1 0 322.394 0.788 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2COCCO2)c1 ZINC000555575438 288357155 /nfs/dbraw/zinc/35/71/55/288357155.db2.gz JWOKNEDPMAPTNO-TZMCWYRMSA-N 1 0 312.322 0.340 20 5 DCBDRO Cn1c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000560506435 288508533 /nfs/dbraw/zinc/50/85/33/288508533.db2.gz XUSCSTOJNWXIFQ-CQSZACIVSA-N 1 0 308.338 0.120 20 5 DCBDRO CC[NH+]1CCC(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000561498719 288545119 /nfs/dbraw/zinc/54/51/19/288545119.db2.gz UWMIPUUKFVTSAB-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000563118628 288634140 /nfs/dbraw/zinc/63/41/40/288634140.db2.gz LBEXZIFQLIREPQ-VHSXEESVSA-N 1 0 314.367 0.656 20 5 DCBDRO [NH3+]C1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1 ZINC000564958093 288797574 /nfs/dbraw/zinc/79/75/74/288797574.db2.gz JFHLUWGLLAEORB-UHFFFAOYSA-N 1 0 314.367 0.930 20 5 DCBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000280042049 304507593 /nfs/dbraw/zinc/50/75/93/304507593.db2.gz QUIVMENXMKLJIO-AOOOYVTPSA-N 1 0 319.317 0.657 20 5 DCBDRO CCN1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000580064434 332923458 /nfs/dbraw/zinc/92/34/58/332923458.db2.gz CXHJKLMHYZFEOL-DGCLKSJQSA-N 1 0 323.349 0.545 20 5 DCBDRO CC(C)(CO)CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393380766 332349511 /nfs/dbraw/zinc/34/95/11/332349511.db2.gz QEDZHGGCALAEMI-GFCCVEGCSA-N 1 0 300.359 0.541 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381454298 332657574 /nfs/dbraw/zinc/65/75/74/332657574.db2.gz HQDIBTRPUVHFGG-SFYZADRCSA-N 1 0 303.340 0.617 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](CC2CCOCC2)CC1 ZINC000580394050 336265694 /nfs/dbraw/zinc/26/56/94/336265694.db2.gz RVARUUSNQBWIPB-UHFFFAOYSA-N 1 0 323.353 0.502 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000583278932 337302503 /nfs/dbraw/zinc/30/25/03/337302503.db2.gz ZIHZPRQYMHFGPC-INIZCTEOSA-N 1 0 319.361 0.710 20 5 DCBDRO CCOCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001567747056 1160470227 /nfs/dbraw/zinc/47/02/27/1160470227.db2.gz UVOCVYVTXUSHSK-ZIAGYGMSSA-N 1 0 313.398 0.859 20 5 DCBDRO Cc1c(C(=O)N[C@@H](C)C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262551332 518185826 /nfs/dbraw/zinc/18/58/26/518185826.db2.gz YLYMXVORXAQDMR-QMMMGPOBSA-N 1 0 304.310 0.561 20 5 DCBDRO COc1cc(OCC(=O)N2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237225480 522890115 /nfs/dbraw/zinc/89/01/15/522890115.db2.gz IBBWPQVDAVOVHE-SNVBAGLBSA-N 1 0 309.322 0.932 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000157392520 525930338 /nfs/dbraw/zinc/93/03/38/525930338.db2.gz KHUVBJZHGMDQMT-JTQLQIEISA-N 1 0 315.351 0.170 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000127071399 526932240 /nfs/dbraw/zinc/93/22/40/526932240.db2.gz PLEXAWUUGXDWGC-LLVKDONJSA-N 1 0 301.306 0.872 20 5 DCBDRO [NH3+]CCCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000238055363 527175990 /nfs/dbraw/zinc/17/59/90/527175990.db2.gz FDGWZYBQXREYGI-UHFFFAOYSA-N 1 0 304.310 0.644 20 5 DCBDRO C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736858887 598503763 /nfs/dbraw/zinc/50/37/63/598503763.db2.gz VLWNGFUHLVRABS-SECBINFHSA-N 1 0 318.341 0.924 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821583158 606707044 /nfs/dbraw/zinc/70/70/44/606707044.db2.gz KOJFSTYHCZEJDT-SECBINFHSA-N 1 0 318.341 0.700 20 5 DCBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821241859 606720133 /nfs/dbraw/zinc/72/01/33/606720133.db2.gz PIOLKXQEWHPXRW-WCBMZHEXSA-N 1 0 318.341 0.922 20 5 DCBDRO C[N@H+]1CC=C(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000826021945 608586837 /nfs/dbraw/zinc/58/68/37/608586837.db2.gz GBWPLQHHPVFFBO-UHFFFAOYSA-N 1 0 316.325 0.844 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCc2ccns2)CC1 ZINC000981138701 661085557 /nfs/dbraw/zinc/08/55/57/661085557.db2.gz ZCWXNWKHAZXYCA-CHWSQXEVSA-N 1 0 324.406 0.885 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050246566 658171598 /nfs/dbraw/zinc/17/15/98/658171598.db2.gz ONQKBJOIRQEDRK-SECBINFHSA-N 1 0 315.351 0.573 20 5 DCBDRO C[C@@]1(NC(=O)CCn2cc([N+](=O)[O-])cn2)C[NH+]2CCC1CC2 ZINC000892788437 659457475 /nfs/dbraw/zinc/45/74/75/659457475.db2.gz CFDGBLANSLGAFC-CQSZACIVSA-N 1 0 307.354 0.782 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C(F)F)C1 ZINC001019912498 659632441 /nfs/dbraw/zinc/63/24/41/659632441.db2.gz CUKUCEPYOLECCX-LJGSYFOKSA-N 1 0 303.269 0.330 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)F)C1 ZINC001019928969 659636245 /nfs/dbraw/zinc/63/62/45/659636245.db2.gz ROFQFIDOHZCWMI-KYZUINATSA-N 1 0 313.333 0.813 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C ZINC000261775579 661641700 /nfs/dbraw/zinc/64/17/00/661641700.db2.gz WKRANRHZDYIEFT-SCZZXKLOSA-N 1 0 315.351 0.714 20 5 DCBDRO Cc1nn(C)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000726163829 661652383 /nfs/dbraw/zinc/65/23/83/661652383.db2.gz OEKRXXLYOAQOKD-WDEREUQCSA-N 1 0 323.353 0.230 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3COCO3)CC2)cn1 ZINC000894884161 662026074 /nfs/dbraw/zinc/02/60/74/662026074.db2.gz DEWLWDQLMYOMOQ-CYBMUJFWSA-N 1 0 308.338 0.921 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1cncs1 ZINC001029305023 662098836 /nfs/dbraw/zinc/09/88/36/662098836.db2.gz QSZZBYRAYPWWMS-LYIQGSDWSA-N 1 0 322.390 0.984 20 5 DCBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895757238 662212440 /nfs/dbraw/zinc/21/24/40/662212440.db2.gz PPVISCNLANGUPW-CYBMUJFWSA-N 1 0 305.334 0.932 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898836035 663109752 /nfs/dbraw/zinc/10/97/52/663109752.db2.gz QFSSYXDJAZTFSV-QWRGUYRKSA-N 1 0 307.354 0.931 20 5 DCBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000898844800 663110110 /nfs/dbraw/zinc/11/01/10/663110110.db2.gz JAHWKZRVPPRXRI-NWDGAFQWSA-N 1 0 307.354 0.780 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000911677969 664099455 /nfs/dbraw/zinc/09/94/55/664099455.db2.gz PUVAUEHJTVWHKJ-UHFFFAOYSA-N 1 0 307.354 0.843 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000912261786 664155439 /nfs/dbraw/zinc/15/54/39/664155439.db2.gz KHIUJDFQZVZOHO-DOMZBBRYSA-N 1 0 305.334 0.837 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)CCO)c1 ZINC000912608335 664193668 /nfs/dbraw/zinc/19/36/68/664193668.db2.gz GFTZVHYNJSQXRU-UHFFFAOYSA-N 1 0 311.338 0.600 20 5 DCBDRO CC(C)(C(=O)N1CC[C@@H]([NH+]2CCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000912916840 664245139 /nfs/dbraw/zinc/24/51/39/664245139.db2.gz AQTQVLXWMROXNU-LLVKDONJSA-N 1 0 307.354 0.833 20 5 DCBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000913292061 664298919 /nfs/dbraw/zinc/29/89/19/664298919.db2.gz YNGQJHWTOLCCHJ-OKILXGFUSA-N 1 0 307.354 0.592 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(C)[C@H](CO)C1 ZINC000913541943 664344706 /nfs/dbraw/zinc/34/47/06/664344706.db2.gz YLYFNMBQWHXIQP-JTQLQIEISA-N 1 0 311.313 0.791 20 5 DCBDRO COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001031661996 665273316 /nfs/dbraw/zinc/27/33/16/665273316.db2.gz QMDWOUYTFWMFBA-HUUCEWRRSA-N 1 0 319.361 0.908 20 5 DCBDRO Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000997773563 665336190 /nfs/dbraw/zinc/33/61/90/665336190.db2.gz WGMOKYXPWGGOAT-ZIAGYGMSSA-N 1 0 321.381 0.414 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996442034 666786897 /nfs/dbraw/zinc/78/68/97/666786897.db2.gz USDCFUZXWYOBEQ-ZIAGYGMSSA-N 1 0 311.382 0.659 20 5 DCBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001005378048 666838731 /nfs/dbraw/zinc/83/87/31/666838731.db2.gz IBPVTRMWIXDCIF-ZIAGYGMSSA-N 1 0 321.381 0.508 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861542502 666941934 /nfs/dbraw/zinc/94/19/34/666941934.db2.gz PYGCPAJSBLTCJQ-VIFPVBQESA-N 1 0 324.337 0.738 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861545138 666942951 /nfs/dbraw/zinc/94/29/51/666942951.db2.gz UQZXIKFBJRJDGO-WCBMZHEXSA-N 1 0 324.312 0.847 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000861627965 666951649 /nfs/dbraw/zinc/95/16/49/666951649.db2.gz DTGDGYXUPNTNLV-QMMMGPOBSA-N 1 0 306.326 0.960 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923380336 667521293 /nfs/dbraw/zinc/52/12/93/667521293.db2.gz HCBUOVYVUBAAPT-OSAQELSMSA-N 1 0 323.349 0.007 20 5 DCBDRO C[C@]12C[NH2+]C[C@H]1CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000923425774 667531212 /nfs/dbraw/zinc/53/12/12/667531212.db2.gz MTWVIPCDSHBDAM-DUVNUKRYSA-N 1 0 321.377 0.876 20 5 DCBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000885873812 667715201 /nfs/dbraw/zinc/71/52/01/667715201.db2.gz ZQVDRUZQOAVVIO-GFCCVEGCSA-N 1 0 320.349 0.973 20 5 DCBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(O)(COCCO)CC2)cc1 ZINC000886740561 667794957 /nfs/dbraw/zinc/79/49/57/667794957.db2.gz ANFPRBJHCNYBDR-UHFFFAOYSA-N 1 0 324.377 0.973 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCNCC[NH2+]CC1 ZINC000926093341 668372938 /nfs/dbraw/zinc/37/29/38/668372938.db2.gz OTZBHFAGVIBUDC-UHFFFAOYSA-N 1 0 307.354 0.930 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)NCCN1CC[NH2+]CC1 ZINC000876510705 668458724 /nfs/dbraw/zinc/45/87/24/668458724.db2.gz PNCBMWOVCPVMCD-UHFFFAOYSA-N 1 0 306.366 0.847 20 5 DCBDRO O=C1CC[C@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000766273139 668530170 /nfs/dbraw/zinc/53/01/70/668530170.db2.gz VEIJEBPZFYEGEU-UONOGXRCSA-N 1 0 305.334 0.935 20 5 DCBDRO Cc1nn(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000779865358 668945771 /nfs/dbraw/zinc/94/57/71/668945771.db2.gz LLFPDCAULBFTCK-CQSZACIVSA-N 1 0 322.413 0.769 20 5 DCBDRO CN1CC[NH+](C2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000879592770 669070590 /nfs/dbraw/zinc/07/05/90/669070590.db2.gz PGQCJFMEAALSHI-UHFFFAOYSA-N 1 0 322.413 0.503 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000932902586 669436191 /nfs/dbraw/zinc/43/61/91/669436191.db2.gz FQTLFROFKGWPLH-LBPRGKRZSA-N 1 0 309.370 0.900 20 5 DCBDRO CNC(=O)[C@@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000817371200 670916066 /nfs/dbraw/zinc/91/60/66/670916066.db2.gz ZHWGQIFWVPPHSR-LLVKDONJSA-N 1 0 303.322 0.970 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000818432855 671015040 /nfs/dbraw/zinc/01/50/40/671015040.db2.gz PZAQXLUAJOYYNM-LLVKDONJSA-N 1 0 303.322 0.894 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000818948404 671078976 /nfs/dbraw/zinc/07/89/76/671078976.db2.gz DHFMSJHFPKLZCL-APPZFPTMSA-N 1 0 309.153 0.936 20 5 DCBDRO CCS(=O)(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819010722 671085370 /nfs/dbraw/zinc/08/53/70/671085370.db2.gz KHFPZIAVOHJFIB-GFCCVEGCSA-N 1 0 302.352 0.653 20 5 DCBDRO C[S@](=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819032158 671086959 /nfs/dbraw/zinc/08/69/59/671086959.db2.gz CJUVERHFTOBNIQ-GIPWTMENSA-N 1 0 302.352 0.303 20 5 DCBDRO C[S@@](=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819032157 671087213 /nfs/dbraw/zinc/08/72/13/671087213.db2.gz CJUVERHFTOBNIQ-BIBXISHDSA-N 1 0 302.352 0.303 20 5 DCBDRO CC[S@](=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819046870 671089550 /nfs/dbraw/zinc/08/95/50/671089550.db2.gz DMPGRWASNHNEJX-MQJDWESPSA-N 1 0 316.379 0.693 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000819177151 671099823 /nfs/dbraw/zinc/09/98/23/671099823.db2.gz AYYSTGWHYKJWJX-NILFDRSVSA-N 1 0 309.366 0.937 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852819280 671166333 /nfs/dbraw/zinc/16/63/33/671166333.db2.gz ADZVJWDXJPLHFI-JTQLQIEISA-N 1 0 308.294 0.323 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC12CC(C1)C[NH2+]2 ZINC000852867270 671179538 /nfs/dbraw/zinc/17/95/38/671179538.db2.gz SMYMKNSLLAFXKT-UHFFFAOYSA-N 1 0 315.333 0.813 20 5 DCBDRO O=[N+]([O-])c1cccc(OCc2nc(N3CC[NH2+]CC3)no2)c1 ZINC000823346177 671388187 /nfs/dbraw/zinc/38/81/87/671388187.db2.gz GLGQXOBNHFWBDD-UHFFFAOYSA-N 1 0 305.294 0.966 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000825245884 671454113 /nfs/dbraw/zinc/45/41/13/671454113.db2.gz TVEHKYSUSCPTJE-RISCZKNCSA-N 1 0 315.333 0.765 20 5 DCBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825411351 671460432 /nfs/dbraw/zinc/46/04/32/671460432.db2.gz PDQRBVDDKWXYHV-FZMZJTMJSA-N 1 0 305.334 0.981 20 5 DCBDRO [NH3+]C1(CNC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000831554293 671674441 /nfs/dbraw/zinc/67/44/41/671674441.db2.gz FVKOJMHYTRETMX-UHFFFAOYSA-N 1 0 303.322 0.942 20 5 DCBDRO C[NH2+]CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841155870 671915918 /nfs/dbraw/zinc/91/59/18/671915918.db2.gz ZNKDPCWNGQOOEI-UHFFFAOYSA-N 1 0 314.729 0.912 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841160243 671916115 /nfs/dbraw/zinc/91/61/15/671916115.db2.gz AKJGKAGZCUFABE-ZETCQYMHSA-N 1 0 312.713 0.746 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841165937 671916812 /nfs/dbraw/zinc/91/68/12/671916812.db2.gz IITCRLLCLOWDHG-UHFFFAOYSA-N 1 0 314.729 0.912 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])c(F)ccc1[N+](=O)[O-] ZINC000841256266 671923481 /nfs/dbraw/zinc/92/34/81/671923481.db2.gz UMZPUZUPWJDOOD-JGVFFNPUSA-N 1 0 312.301 0.833 20 5 DCBDRO Cn1cc(C[C@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000843117455 672063661 /nfs/dbraw/zinc/06/36/61/672063661.db2.gz XYHWXYKORYBSCP-UKRRQHHQSA-N 1 0 320.349 0.555 20 5 DCBDRO Cc1ccc(CNC(=O)C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000867323925 672073166 /nfs/dbraw/zinc/07/31/66/672073166.db2.gz MXIRHKNSRPTVIL-UHFFFAOYSA-N 1 0 322.365 0.539 20 5 DCBDRO [NH3+]CCN(CCO)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000843368345 672087575 /nfs/dbraw/zinc/08/75/75/672087575.db2.gz QVTJMGJEERPLDJ-UHFFFAOYSA-N 1 0 316.745 0.440 20 5 DCBDRO Cc1ncsc1CC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001691314932 1157640186 /nfs/dbraw/zinc/64/01/86/1157640186.db2.gz MFNWOOPDEHEKCE-GHMZBOCLSA-N 1 0 312.395 0.707 20 5 DCBDRO CCOCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001568249803 1160612921 /nfs/dbraw/zinc/61/29/21/1160612921.db2.gz JRDFMYLYIUUNQV-CHWSQXEVSA-N 1 0 311.382 0.613 20 5 DCBDRO [NH3+]CCNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001574278258 1163682808 /nfs/dbraw/zinc/68/28/08/1163682808.db2.gz QVVWGGQRQNKFIJ-UHFFFAOYSA-N 1 0 321.337 0.021 20 5 DCBDRO C[C@]([NH3+])(C(=O)NCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001576082182 1164233099 /nfs/dbraw/zinc/23/30/99/1164233099.db2.gz UXOMOMFRWFVZPF-UKRRQHHQSA-N 1 0 323.349 0.690 20 5 DCBDRO CCCC[C@H](C[NH3+])NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001577390224 1164683270 /nfs/dbraw/zinc/68/32/70/1164683270.db2.gz IEZAHSWPMSKWCA-GFCCVEGCSA-N 1 0 322.365 0.958 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001579013389 1165188758 /nfs/dbraw/zinc/18/87/58/1165188758.db2.gz YTQQEWLQSPZWIG-GJZGRUSLSA-N 1 0 309.366 0.939 20 5 DCBDRO [NH3+]CCC1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC001580288818 1165560025 /nfs/dbraw/zinc/56/00/25/1165560025.db2.gz ZZNGPPWCRLHXCJ-UHFFFAOYSA-N 1 0 314.367 0.739 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001580579139 1165643726 /nfs/dbraw/zinc/64/37/26/1165643726.db2.gz YSJQQCCJPUKIGS-CYBMUJFWSA-N 1 0 308.342 0.321 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580667615 1165681292 /nfs/dbraw/zinc/68/12/92/1165681292.db2.gz YLSOKEFZZCNVOQ-JTQLQIEISA-N 1 0 304.306 0.794 20 5 DCBDRO CC(C)[C@@H](CO)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589763270 1166684028 /nfs/dbraw/zinc/68/40/28/1166684028.db2.gz YLRUXWAKAWCTJO-LLVKDONJSA-N 1 0 306.326 0.881 20 5 DCBDRO C[C@@H](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+](C)C ZINC001589833134 1166694821 /nfs/dbraw/zinc/69/48/21/1166694821.db2.gz NZLPCQAKHVMHMP-QMMMGPOBSA-N 1 0 306.330 0.922 20 5 DCBDRO C[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001590271587 1166831592 /nfs/dbraw/zinc/83/15/92/1166831592.db2.gz IQDRFHPVVCUACL-NOZJJQNGSA-N 1 0 318.337 0.978 20 5 DCBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1CO ZINC001590272166 1166834843 /nfs/dbraw/zinc/83/48/43/1166834843.db2.gz MJRSJVSETGTNKH-NOZJJQNGSA-N 1 0 318.337 0.978 20 5 DCBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@@H]1CO ZINC001590272170 1166835614 /nfs/dbraw/zinc/83/56/14/1166835614.db2.gz MJRSJVSETGTNKH-TVQRCGJNSA-N 1 0 318.337 0.978 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001591168102 1167121980 /nfs/dbraw/zinc/12/19/80/1167121980.db2.gz DZOMAWKVGKNSHO-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@@H]21 ZINC001591195995 1167145868 /nfs/dbraw/zinc/14/58/68/1167145868.db2.gz HUIZKKZHRDMQIS-KCJUWKMLSA-N 1 0 316.325 0.310 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001593467057 1167857237 /nfs/dbraw/zinc/85/72/37/1167857237.db2.gz LEEZCSNSZBPMHS-GFCCVEGCSA-N 1 0 316.321 0.732 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001597700911 1168010931 /nfs/dbraw/zinc/01/09/31/1168010931.db2.gz LXAKQRQTWQHQJP-VIFPVBQESA-N 1 0 306.322 0.380 20 5 DCBDRO C[NH+]1CCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001604866421 1169719298 /nfs/dbraw/zinc/71/92/98/1169719298.db2.gz URZXITXPFVAUOW-UHFFFAOYSA-N 1 0 303.326 0.522 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001607077650 1170381845 /nfs/dbraw/zinc/38/18/45/1170381845.db2.gz QDANZVVMSIOMQH-VXGBXAGGSA-N 1 0 315.337 0.426 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001637266144 1171762183 /nfs/dbraw/zinc/76/21/83/1171762183.db2.gz OFOARTAKMAVPMX-GHMZBOCLSA-N 1 0 305.338 0.881 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC001640289205 1171874072 /nfs/dbraw/zinc/87/40/72/1171874072.db2.gz OXRWSJJYUGOUSA-KOLCDFICSA-N 1 0 305.338 0.619 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(CCO)C2CC[NH+](C)CC2)n1 ZINC001643946355 1171992639 /nfs/dbraw/zinc/99/26/39/1171992639.db2.gz OVPHOGPDWRNKCN-UHFFFAOYSA-N 1 0 322.365 0.827 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)n1 ZINC001644702506 1172016456 /nfs/dbraw/zinc/01/64/56/1172016456.db2.gz GFKHQZCGBCEKKT-WCQYABFASA-N 1 0 320.349 0.579 20 5 DCBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC[N@H+](C)CC1 ZINC001652666371 1173773503 /nfs/dbraw/zinc/77/35/03/1173773503.db2.gz JIOPKLPLNWYHCP-UHFFFAOYSA-N 1 0 321.381 0.496 20 5 DCBDRO COC(=O)C1(O)CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001653805659 1173793997 /nfs/dbraw/zinc/79/39/97/1173793997.db2.gz LZMUSZAPCFLPOL-UHFFFAOYSA-N 1 0 312.326 0.100 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001653845578 1173794854 /nfs/dbraw/zinc/79/48/54/1173794854.db2.gz VTVJMKALWWBARG-BXUZGUMPSA-N 1 0 323.349 0.517 20 5 DCBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654291695 1173804173 /nfs/dbraw/zinc/80/41/73/1173804173.db2.gz ZPRQWNUGSMGGDE-DZGCQCFKSA-N 1 0 323.349 0.741 20 5 DCBDRO C[C@@]12C[NH+](Cc3cccnc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001655296612 1173817796 /nfs/dbraw/zinc/81/77/96/1173817796.db2.gz KYFGURPORQUPFR-KBPBESRZSA-N 1 0 304.306 0.474 20 5 DCBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659064042 1173928126 /nfs/dbraw/zinc/92/81/26/1173928126.db2.gz IQLCEGHDSKRNNZ-CHWSQXEVSA-N 1 0 324.381 0.143 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C[C@@](C)(CO)OC)c1[N+](=O)[O-] ZINC001660149312 1173950921 /nfs/dbraw/zinc/95/09/21/1173950921.db2.gz RQASFNLJHVONDB-ZDUSSCGKSA-N 1 0 300.311 0.796 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccc[nH]1 ZINC001663813782 1174354422 /nfs/dbraw/zinc/35/44/22/1174354422.db2.gz MMBQPOPNPFIFIV-UHFFFAOYSA-N 1 0 306.326 0.518 20 5 DCBDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001680390979 1175814349 /nfs/dbraw/zinc/81/43/49/1175814349.db2.gz BPDASYFFAZPPPD-NSHDSACASA-N 1 0 310.358 0.575 20 5 DCBDRO C[N@H+](CCCNC(=O)CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001712940170 1180568987 /nfs/dbraw/zinc/56/89/87/1180568987.db2.gz TXQUZNVZTZQTGX-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO NC(=O)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001733723027 1186415320 /nfs/dbraw/zinc/41/53/20/1186415320.db2.gz QJEGUDIBJSELSV-UHFFFAOYSA-N 1 0 306.322 0.209 20 5 DCBDRO CC1([NH2+]CCn2cccn2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733862647 1186479773 /nfs/dbraw/zinc/47/97/73/1186479773.db2.gz KKDFRDFWSYXQST-CHWSQXEVSA-N 1 0 321.381 0.519 20 5 DCBDRO Cc1c[nH]nc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001753187446 1188527932 /nfs/dbraw/zinc/52/79/32/1188527932.db2.gz HEAUSRPGIJKJSO-UHFFFAOYSA-N 1 0 321.341 0.222 20 5 DCBDRO Cc1cncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001754120290 1188749363 /nfs/dbraw/zinc/74/93/63/1188749363.db2.gz WDSJVHXBZUSLEO-DTSKHDKYSA-N 1 0 304.350 0.817 20 5 DCBDRO Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1 ZINC001754370549 1188835439 /nfs/dbraw/zinc/83/54/39/1188835439.db2.gz GEKMSOZNJZQKQL-VXGBXAGGSA-N 1 0 307.354 0.388 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419268420 1190392409 /nfs/dbraw/zinc/39/24/09/1190392409.db2.gz KRRAESVVZPTHMY-LLVKDONJSA-N 1 0 322.365 0.758 20 5 DCBDRO Cc1nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)ncc1[N+](=O)[O-] ZINC001164967946 722076896 /nfs/dbraw/zinc/07/68/96/722076896.db2.gz NDXIGKWVASGPOZ-BETUJISGSA-N 1 0 319.365 0.993 20 5 DCBDRO COc1nc(C)c(-n2c(C)ncc(C[NH3+])c2=N)cc1[N+](=O)[O-] ZINC001167674771 747518928 /nfs/dbraw/zinc/51/89/28/747518928.db2.gz VXPXLGIANUNRBO-UHFFFAOYSA-N 1 0 304.310 0.739 20 5 DCBDRO COC(=O)Cc1ccc(-n2ccc(CC[NH3+])n2)cc1[N+](=O)[O-] ZINC001167731795 747933930 /nfs/dbraw/zinc/93/39/30/747933930.db2.gz XBIMYMLMSUBSBI-UHFFFAOYSA-N 1 0 304.306 0.997 20 5 DCBDRO CCOc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001126932352 750143681 /nfs/dbraw/zinc/14/36/81/750143681.db2.gz UATKYPDDNSBIBE-VXGBXAGGSA-N 1 0 308.338 0.351 20 5 DCBDRO CN1CCN(C(=[NH2+])Nc2ccc3ncc([N+](=O)[O-])n3c2)CC1 ZINC001168736395 753984988 /nfs/dbraw/zinc/98/49/88/753984988.db2.gz GMQRLJOCEUTFSA-UHFFFAOYSA-N 1 0 303.326 0.837 20 5 DCBDRO CN1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])c3nccn3c2)CC1 ZINC001168736767 753989595 /nfs/dbraw/zinc/98/95/95/753989595.db2.gz KFHFHRRDIKZFED-UHFFFAOYSA-N 1 0 303.326 0.837 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001163590155 755171867 /nfs/dbraw/zinc/17/18/67/755171867.db2.gz TYTUCQKPEIYQAZ-UHFFFAOYSA-N 1 0 317.733 0.823 20 5 DCBDRO [NH3+][C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]1O ZINC001165147418 757247463 /nfs/dbraw/zinc/24/74/63/757247463.db2.gz IPUYNMQWZLPLFJ-POYBYMJQSA-N 1 0 308.672 0.696 20 5 DCBDRO COC[C@@]1(CO)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001170352481 762613058 /nfs/dbraw/zinc/61/30/58/762613058.db2.gz WEGQVGZRYQWZCO-AWEZNQCLSA-N 1 0 311.338 0.087 20 5 DCBDRO COc1nc(C)nc(-n2[nH]c(=O)c(CC[NH3+])c2C)c1[N+](=O)[O-] ZINC001170340693 762623239 /nfs/dbraw/zinc/62/32/39/762623239.db2.gz QIECKESRNUBHQZ-UHFFFAOYSA-N 1 0 308.298 0.403 20 5 DCBDRO COc1ccc(C[C@@H](C)N2CCO[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170351732 762625200 /nfs/dbraw/zinc/62/52/00/762625200.db2.gz HIJBZRQGDAKWFD-QMTHXVAHSA-N 1 0 323.349 0.721 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](CCO)CCCF)CC1 ZINC001098364722 758755181 /nfs/dbraw/zinc/75/51/81/758755181.db2.gz AUJMJVASKBIVIS-CHWSQXEVSA-N 1 0 317.361 0.297 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([N@H+](CCO)CC2CC2)CC1 ZINC001098364738 758755195 /nfs/dbraw/zinc/75/51/95/758755195.db2.gz BHQAJKWQXAEUOG-ZIAGYGMSSA-N 1 0 311.382 0.347 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC([NH+]2CCC2)CC1 ZINC000827911246 758896334 /nfs/dbraw/zinc/89/63/34/758896334.db2.gz PFIUHNYBUDUXDY-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO COCCCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155044897 759377447 /nfs/dbraw/zinc/37/74/47/759377447.db2.gz NLNNWTLJWRTFGH-UHFFFAOYSA-N 1 0 313.358 0.351 20 5 DCBDRO Cn1cncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086083087 759691306 /nfs/dbraw/zinc/69/13/06/759691306.db2.gz NLQMQJJEWJXLPC-LYIQGSDWSA-N 1 0 307.354 0.070 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C1=COCCO1 ZINC001123019397 767915235 /nfs/dbraw/zinc/91/52/35/767915235.db2.gz GXIGJHUYZMSUBD-UHFFFAOYSA-N 1 0 307.306 0.689 20 5 DCBDRO CCn1ccnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363433 760101649 /nfs/dbraw/zinc/10/16/49/760101649.db2.gz UFMJMEZNFMBYPV-FDYHWXHSSA-N 1 0 321.381 0.553 20 5 DCBDRO CN(c1ncnc2cc([N+](=O)[O-])ccc21)S(=O)(=O)CC[NH3+] ZINC001156236388 760518573 /nfs/dbraw/zinc/51/85/73/760518573.db2.gz IDNOGWSTAHECNB-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ncccn1 ZINC001168942158 760519102 /nfs/dbraw/zinc/51/91/02/760519102.db2.gz DVWUDYFTRNJXRM-UHFFFAOYSA-N 1 0 319.325 0.028 20 5 DCBDRO COc1nc(SC)nc(-n2cc(CC[NH3+])cn2)c1[N+](=O)[O-] ZINC001168947753 760520706 /nfs/dbraw/zinc/52/07/06/760520706.db2.gz BOUBTFNRYHOSNV-UHFFFAOYSA-N 1 0 310.339 0.802 20 5 DCBDRO CN(C)C(=O)c1nn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169018375 760559111 /nfs/dbraw/zinc/55/91/11/760559111.db2.gz AVVXYEHLNMRPIC-QWRGUYRKSA-N 1 0 321.381 0.849 20 5 DCBDRO CN1CCN(C)C2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169018453 760559321 /nfs/dbraw/zinc/55/93/21/760559321.db2.gz CFPQHDKSDXBTOU-KGLIPLIRSA-N 1 0 324.425 0.670 20 5 DCBDRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001169018953 760559372 /nfs/dbraw/zinc/55/93/72/760559372.db2.gz FRTHXUIETCMLNB-ITGHMWBKSA-N 1 0 311.382 0.752 20 5 DCBDRO CC(=O)N1CCc2cc(NC[C@H]3COCC[NH2+]3)cc([N+](=O)[O-])c21 ZINC001170047594 761689437 /nfs/dbraw/zinc/68/94/37/761689437.db2.gz OXWUZHMZXDSBQW-ZDUSSCGKSA-N 1 0 320.349 0.904 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1n[nH]cc1F ZINC001133479129 764982370 /nfs/dbraw/zinc/98/23/70/764982370.db2.gz QSLVFIWJYRQVGE-UHFFFAOYSA-N 1 0 307.285 0.977 20 5 DCBDRO O=C(CCc1cn[nH]n1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001134013697 765298907 /nfs/dbraw/zinc/29/89/07/765298907.db2.gz BFFGGFQQGTVTHI-UHFFFAOYSA-N 1 0 324.366 0.613 20 5 DCBDRO O=C(CCc1cn[nH]n1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134013907 765300587 /nfs/dbraw/zinc/30/05/87/765300587.db2.gz HRMUKPHRVLCTNA-UHFFFAOYSA-N 1 0 318.337 0.552 20 5 DCBDRO O=C(Cc1c[nH]cn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134406979 765508221 /nfs/dbraw/zinc/50/82/21/765508221.db2.gz KWQMHPSUFYQTAQ-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170776631 765707983 /nfs/dbraw/zinc/70/79/83/765707983.db2.gz BINIGCKFKDDENA-MWLCHTKSSA-N 1 0 309.322 0.764 20 5 DCBDRO CNC(=O)C1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001135250721 765856394 /nfs/dbraw/zinc/85/63/94/765856394.db2.gz VRDBIJYVGIAJET-UHFFFAOYSA-N 1 0 320.349 0.327 20 5 DCBDRO CNC(=O)C1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001135250851 765856566 /nfs/dbraw/zinc/85/65/66/765856566.db2.gz WXPCWPWEGJTPJH-UHFFFAOYSA-N 1 0 320.349 0.327 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1nc(Cl)ccc1[N+](=O)[O-] ZINC001170993925 766377218 /nfs/dbraw/zinc/37/72/18/766377218.db2.gz DYYJMHPWGVAVKN-UHFFFAOYSA-N 1 0 302.718 0.971 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC001119242329 766606919 /nfs/dbraw/zinc/60/69/19/766606919.db2.gz ZFCLKNNQZCHLLD-WDEREUQCSA-N 1 0 306.322 0.109 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC001119242323 766606955 /nfs/dbraw/zinc/60/69/55/766606955.db2.gz ZFCLKNNQZCHLLD-GHMZBOCLSA-N 1 0 306.322 0.109 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC001119568366 766731649 /nfs/dbraw/zinc/73/16/49/766731649.db2.gz FWNUPNBCPAXNLY-UHFFFAOYSA-N 1 0 322.340 0.806 20 5 DCBDRO CC(C)C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC001120571309 767081740 /nfs/dbraw/zinc/08/17/40/767081740.db2.gz ZPWSCTSESBGPFK-GXTWGEPZSA-N 1 0 313.402 0.718 20 5 DCBDRO Cc1cc(NCCNC(=O)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001093652768 768672387 /nfs/dbraw/zinc/67/23/87/768672387.db2.gz XMYGIAJARGJEAM-UHFFFAOYSA-N 1 0 307.354 0.922 20 5 DCBDRO NC(=O)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007065 769526558 /nfs/dbraw/zinc/52/65/58/769526558.db2.gz IZQGPQPSJGODNX-UHFFFAOYSA-N 1 0 314.292 0.917 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224481 769566775 /nfs/dbraw/zinc/56/67/75/769566775.db2.gz NKIVILWFESXVSP-MNOVXSKESA-N 1 0 323.349 0.793 20 5 DCBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(S(C)(=O)=O)C1 ZINC001173214674 769568912 /nfs/dbraw/zinc/56/89/12/769568912.db2.gz DNXYNRADPCLMQT-JTQLQIEISA-N 1 0 313.379 0.759 20 5 DCBDRO CC(=O)NCC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001154199093 770107898 /nfs/dbraw/zinc/10/78/98/770107898.db2.gz BPFULJSCLXZLEY-UHFFFAOYSA-N 1 0 314.367 0.388 20 5 DCBDRO CC(C)C[C@H](CO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001154957130 770353065 /nfs/dbraw/zinc/35/30/65/770353065.db2.gz HFKPSIAKBYVXOT-LLVKDONJSA-N 1 0 324.385 0.613 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc(OC)c([N+](=O)[O-])cn1 ZINC001155077408 770387041 /nfs/dbraw/zinc/38/70/41/770387041.db2.gz CXNANXDDKHJDJH-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO COc1ncnc(NCc2noc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001155497108 770525684 /nfs/dbraw/zinc/52/56/84/770525684.db2.gz GNKYAWNJEXACNH-UHFFFAOYSA-N 1 0 306.282 0.639 20 5 DCBDRO COc1nc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155592120 770559062 /nfs/dbraw/zinc/55/90/62/770559062.db2.gz MCKONPRYWYKDID-QMTHXVAHSA-N 1 0 323.353 0.964 20 5 DCBDRO Cn1nccc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458683 770759887 /nfs/dbraw/zinc/75/98/87/770759887.db2.gz SEWQAVIQHURVCE-ZIAGYGMSSA-N 1 0 323.397 0.852 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3N)C2)CC1 ZINC001156295538 770778705 /nfs/dbraw/zinc/77/87/05/770778705.db2.gz QQMSSWMPRHGHQR-UHFFFAOYSA-N 1 0 319.365 0.249 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001179894589 771029206 /nfs/dbraw/zinc/02/92/06/771029206.db2.gz PSBITYJUXJMJCQ-LLVKDONJSA-N 1 0 307.354 0.883 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC001181441737 771292000 /nfs/dbraw/zinc/29/20/00/771292000.db2.gz IOAYLPBIKWAYRI-AXTRIDKLSA-N 1 0 305.338 0.642 20 5 DCBDRO Cc1c(C[NH2+]CCNS(=O)(=O)N(C)C)cccc1[N+](=O)[O-] ZINC001181591180 771313021 /nfs/dbraw/zinc/31/30/21/771313021.db2.gz QMFQYBCDTQCUAS-UHFFFAOYSA-N 1 0 316.383 0.389 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001157003440 771516416 /nfs/dbraw/zinc/51/64/16/771516416.db2.gz DGVJRUNKLMMOEU-SNVBAGLBSA-N 1 0 315.757 0.829 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@H]2C)n1 ZINC001157748228 771663289 /nfs/dbraw/zinc/66/32/89/771663289.db2.gz UCNPDCVUYLTTOF-PSASIEDQSA-N 1 0 308.342 0.968 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccnc(Cl)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760311 771664495 /nfs/dbraw/zinc/66/44/95/771664495.db2.gz BIRWTNUOIUQSRA-GHMZBOCLSA-N 1 0 312.757 0.996 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccc(CO)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767716 771666474 /nfs/dbraw/zinc/66/64/74/771666474.db2.gz SAXMUMDLCVFMBY-ZIAGYGMSSA-N 1 0 307.350 0.440 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)n1 ZINC001157986423 771707498 /nfs/dbraw/zinc/70/74/98/771707498.db2.gz AKVPPHKSGFFRED-SECBINFHSA-N 1 0 317.305 0.778 20 5 DCBDRO CC[C@H](C)[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(N)=O ZINC001158278118 771751284 /nfs/dbraw/zinc/75/12/84/771751284.db2.gz LGEABEHRDRLSAR-XVKPBYJWSA-N 1 0 308.342 0.384 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCO[C@H](C[NH+]3CCCC3)C2)c1 ZINC001158306287 771756486 /nfs/dbraw/zinc/75/64/86/771756486.db2.gz WEOJIXNNJVEWNG-CYBMUJFWSA-N 1 0 308.338 0.529 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001159863673 771970279 /nfs/dbraw/zinc/97/02/79/771970279.db2.gz BUVKDQUIPNEGLH-UHFFFAOYSA-N 1 0 319.321 0.866 20 5 DCBDRO [NH3+]C[C@@]1(Nc2nc(Cl)ncc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160507822 772052669 /nfs/dbraw/zinc/05/26/69/772052669.db2.gz BLIOEFCDJUWBAQ-GFCCVEGCSA-N 1 0 312.761 0.873 20 5 DCBDRO Nc1nc(NC[C@@H]2CC[N@@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001187715707 772214725 /nfs/dbraw/zinc/21/47/25/772214725.db2.gz BLXIHWXAXZQCHT-JTQLQIEISA-N 1 0 308.342 0.632 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1NC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001161469824 772228891 /nfs/dbraw/zinc/22/88/91/772228891.db2.gz JLZMJBRITZIUGB-NSHDSACASA-N 1 0 306.370 0.810 20 5 DCBDRO CN(C(=O)CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C1CC1 ZINC001162625284 772399889 /nfs/dbraw/zinc/39/98/89/772399889.db2.gz YUQOVNGWPUDZCO-UHFFFAOYSA-N 1 0 320.353 0.494 20 5 DCBDRO COc1cnc(NCc2nnc3n2CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163017126 772444832 /nfs/dbraw/zinc/44/48/32/772444832.db2.gz SDPMQKOCSSJDEQ-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NCC[C@@H]2CCOC23C[NH2+]C3)n1 ZINC001163081847 772457239 /nfs/dbraw/zinc/45/72/39/772457239.db2.gz OUFZXOLPLRZTGL-SECBINFHSA-N 1 0 309.326 0.574 20 5 DCBDRO O=[N+]([O-])c1c[nH]c2ncnc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)c12 ZINC001163102041 772462704 /nfs/dbraw/zinc/46/27/04/772462704.db2.gz JNPHSPITRLGCKI-NQMVMOMDSA-N 1 0 304.310 0.464 20 5 DCBDRO CC[NH+](CC)CCNC(=N)Nc1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001163128605 772468956 /nfs/dbraw/zinc/46/89/56/772468956.db2.gz MYMCEXQMQWFWBU-UHFFFAOYSA-N 1 0 310.358 0.815 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163160490 772474798 /nfs/dbraw/zinc/47/47/98/772474798.db2.gz VXGARUPXNFFRBD-UISBYWKRSA-N 1 0 321.337 0.125 20 5 DCBDRO COc1ccc2ncc([N+](=O)[O-])c(NCC[N@H+](C)CCO)c2c1 ZINC001164120735 772614494 /nfs/dbraw/zinc/61/44/94/772614494.db2.gz ZWSGIZZHFXAPFZ-UHFFFAOYSA-N 1 0 320.349 0.910 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([NH2+][C@@H]3CCOC3)C2)c1 ZINC001164234475 772629111 /nfs/dbraw/zinc/62/91/11/772629111.db2.gz PFOVJYAZPMUKQW-LLVKDONJSA-N 1 0 321.333 0.949 20 5 DCBDRO COc1cc(C)nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165271423 772714231 /nfs/dbraw/zinc/71/42/31/772714231.db2.gz UCNOBZFKLORKEL-JQWIXIFHSA-N 1 0 308.338 0.874 20 5 DCBDRO CC(C)Oc1nc(N2CCOCC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165287490 772718357 /nfs/dbraw/zinc/71/83/57/772718357.db2.gz ZZMIQNITVANTSA-UHFFFAOYSA-N 1 0 308.338 0.956 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001166963906 772891212 /nfs/dbraw/zinc/89/12/12/772891212.db2.gz SAPSZWIINCIGLE-BDAKNGLRSA-N 1 0 310.310 0.386 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001206837749 773111198 /nfs/dbraw/zinc/11/11/98/773111198.db2.gz HKNFKISPMINUGO-TXEJJXNPSA-N 1 0 320.349 0.230 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001196095097 773539094 /nfs/dbraw/zinc/53/90/94/773539094.db2.gz UOMLBBURGDXTPA-XDTLVQLUSA-N 1 0 320.349 0.483 20 5 DCBDRO CN(Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1)C(=O)C[NH3+] ZINC001211362114 773795407 /nfs/dbraw/zinc/79/54/07/773795407.db2.gz PSSPEVFEEGBRQQ-UHFFFAOYSA-N 1 0 310.245 0.096 20 5 DCBDRO NC(=O)CC(=O)NCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001266586057 939171808 /nfs/dbraw/zinc/17/18/08/939171808.db2.gz KSEFYENVLGUWAI-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnn(C)n1 ZINC001266888475 939266416 /nfs/dbraw/zinc/26/64/16/939266416.db2.gz SBQRFGIFPQJVAY-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO Cc1n[nH]c(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001318605514 945412276 /nfs/dbraw/zinc/41/22/76/945412276.db2.gz CIIHGVMULCFARF-UHFFFAOYSA-N 1 0 324.385 0.382 20 5 DCBDRO C[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]C[C@@H]1O ZINC001247825449 945576229 /nfs/dbraw/zinc/57/62/29/945576229.db2.gz BEZANGYFXZDNQL-ZANVPECISA-N 1 0 323.284 0.791 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001321003546 946113876 /nfs/dbraw/zinc/11/38/76/946113876.db2.gz AGSRKBXQZCMISP-UHFFFAOYSA-N 1 0 318.377 0.596 20 5 DCBDRO C[N@H+](C[C@@H](O)CO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475471 946399976 /nfs/dbraw/zinc/39/99/76/946399976.db2.gz RLWKXEIEZHEFQD-OAHLLOKOSA-N 1 0 309.366 0.849 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588469 946411459 /nfs/dbraw/zinc/41/14/59/946411459.db2.gz ZGWURAMNUCFQQE-CABZTGNLSA-N 1 0 321.333 0.329 20 5 DCBDRO Cc1cc(C(=O)N2CC(N3CC[NH+](C)CC3)C2)cc([N+](=O)[O-])c1 ZINC001322550226 946719344 /nfs/dbraw/zinc/71/93/44/946719344.db2.gz HIJOMESXNFWRRR-UHFFFAOYSA-N 1 0 318.377 0.975 20 5 DCBDRO CCOc1cc(OCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001261457914 947298788 /nfs/dbraw/zinc/29/87/88/947298788.db2.gz DFHOQIWFFDZDRB-UHFFFAOYSA-N 1 0 309.322 0.804 20 5 DCBDRO Cn1nccc1[C@H](O)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001462611150 1013078661 /nfs/dbraw/zinc/07/86/61/1013078661.db2.gz HENMYKYRLDVIAF-SRHKJQAYSA-N 1 0 306.326 0.552 20 5 DCBDRO [NH3+][C@@H](CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001325735382 947903327 /nfs/dbraw/zinc/90/33/27/947903327.db2.gz RQBGBOVVARZYGR-ZDUSSCGKSA-N 1 0 318.333 0.291 20 5 DCBDRO C[N@H+](CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001325821515 947937006 /nfs/dbraw/zinc/93/70/06/947937006.db2.gz NQACUXHUWMSLIJ-UHFFFAOYSA-N 1 0 320.349 0.421 20 5 DCBDRO O=C1C[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CN1 ZINC001326161006 948078643 /nfs/dbraw/zinc/07/86/43/948078643.db2.gz UHYVVKCNWBADFU-MNOVXSKESA-N 1 0 309.322 0.060 20 5 DCBDRO CC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C[C@@H]2CCCO2)CC1 ZINC001263440325 948722581 /nfs/dbraw/zinc/72/25/81/948722581.db2.gz PCCIGMFHYJGYIM-LBPRGKRZSA-N 1 0 324.385 0.376 20 5 DCBDRO Cc1nn(C)c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001328729834 949056407 /nfs/dbraw/zinc/05/64/07/949056407.db2.gz WDIGSIPLZLHQFT-ZDUSSCGKSA-N 1 0 313.358 0.069 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC001328827368 949119438 /nfs/dbraw/zinc/11/94/38/949119438.db2.gz IHXRXKDHKUQIKR-LLVKDONJSA-N 1 0 323.353 0.311 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001328980439 949254326 /nfs/dbraw/zinc/25/43/26/949254326.db2.gz INKZPWOXOKMAAL-LLVKDONJSA-N 1 0 322.365 0.888 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]CCc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001330595739 950535809 /nfs/dbraw/zinc/53/58/09/950535809.db2.gz YMIVIVUQICGLMX-FPQZTECRSA-N 1 0 324.406 0.835 20 5 DCBDRO O=c1ccn(Cc2nc([C@H]3CCC[NH2+]C3)no2)cc1[N+](=O)[O-] ZINC001332360845 951610379 /nfs/dbraw/zinc/61/03/79/951610379.db2.gz VJCYQNSMCQJRNR-VIFPVBQESA-N 1 0 305.294 0.655 20 5 DCBDRO Cc1ccc(CNC(=O)N2CCOC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001334229480 952264655 /nfs/dbraw/zinc/26/46/55/952264655.db2.gz KQBQBFUQCNLVLI-UHFFFAOYSA-N 1 0 320.349 0.787 20 5 DCBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC001335368687 952527208 /nfs/dbraw/zinc/52/72/08/952527208.db2.gz RRZULZFRBWZXNU-XJKSGUPXSA-N 1 0 322.409 0.854 20 5 DCBDRO O=C(C[NH+]1CCC(CO)CC1)NCCc1cccc([N+](=O)[O-])c1 ZINC001335836376 952607497 /nfs/dbraw/zinc/60/74/97/952607497.db2.gz DXYPUSPMFXEFAW-UHFFFAOYSA-N 1 0 321.377 0.958 20 5 DCBDRO C[NH+]1CCC2(CC1)CN(c1cc(N)c([N+](=O)[O-])cn1)CCO2 ZINC001336678404 952751372 /nfs/dbraw/zinc/75/13/72/952751372.db2.gz GFQZOULFEIQCEO-UHFFFAOYSA-N 1 0 307.354 0.873 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001336965335 952790243 /nfs/dbraw/zinc/79/02/43/952790243.db2.gz NVGSWNPHLRALND-JTQLQIEISA-N 1 0 308.338 0.107 20 5 DCBDRO Cn1c(Cl)cnc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001338417236 953008208 /nfs/dbraw/zinc/00/82/08/953008208.db2.gz BCPUWVBSKLJONG-VIFPVBQESA-N 1 0 314.733 0.329 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340615474 953182797 /nfs/dbraw/zinc/18/27/97/953182797.db2.gz OKFGFXXEVCFVDE-GCLPIYDQSA-N 1 0 303.318 0.855 20 5 DCBDRO C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001340800290 953195610 /nfs/dbraw/zinc/19/56/10/953195610.db2.gz OHKRIPGGQITTCO-NSHDSACASA-N 1 0 322.365 0.792 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC001341370950 953225938 /nfs/dbraw/zinc/22/59/38/953225938.db2.gz FKPPXUBTDZWMCK-UHFFFAOYSA-N 1 0 316.365 0.914 20 5 DCBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@H]1C[NH2+]CCN1C)CC2 ZINC001341808663 953252214 /nfs/dbraw/zinc/25/22/14/953252214.db2.gz DXXOHTZGHOXGGU-CQSZACIVSA-N 1 0 304.350 0.696 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001342255922 953279221 /nfs/dbraw/zinc/27/92/21/953279221.db2.gz KNMUMROAVKCMIM-VIFPVBQESA-N 1 0 313.379 0.969 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001342767731 953307023 /nfs/dbraw/zinc/30/70/23/953307023.db2.gz KSNBZYLXBXJGFD-UHFFFAOYSA-N 1 0 310.354 0.681 20 5 DCBDRO CC[N@@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CCOC)C[C@H]1C ZINC001343165945 953326050 /nfs/dbraw/zinc/32/60/50/953326050.db2.gz MNPFDDBTIFJSHU-LLVKDONJSA-N 1 0 312.374 0.232 20 5 DCBDRO CC[NH+]1CCN(c2nnc([C@@H](C)[N+](=O)[O-])n2CCOC)CC1 ZINC001343181347 953327194 /nfs/dbraw/zinc/32/71/94/953327194.db2.gz AZIMELQKEHBAJX-LLVKDONJSA-N 1 0 312.374 0.404 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCO1 ZINC001343673541 953363225 /nfs/dbraw/zinc/36/32/25/953363225.db2.gz PIMJVZKAYLHDAK-LBPRGKRZSA-N 1 0 311.313 0.771 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345120329 953597015 /nfs/dbraw/zinc/59/70/15/953597015.db2.gz QPRAADSTMUBEMI-UHFFFAOYSA-N 1 0 308.338 0.528 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001347174654 954038790 /nfs/dbraw/zinc/03/87/90/954038790.db2.gz GJTMJGNSQTTZOY-OAHLLOKOSA-N 1 0 307.350 0.662 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001347858255 954174307 /nfs/dbraw/zinc/17/43/07/954174307.db2.gz ZTLQFGPUTQMULV-NSHDSACASA-N 1 0 323.353 0.311 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001348607137 954386616 /nfs/dbraw/zinc/38/66/16/954386616.db2.gz ZONZWAAPPNCFQX-NSHDSACASA-N 1 0 322.365 0.667 20 5 DCBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC001355016963 956580432 /nfs/dbraw/zinc/58/04/32/956580432.db2.gz YBMCHSNJKQMHBT-HUUCEWRRSA-N 1 0 318.377 0.720 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC001357474617 957294601 /nfs/dbraw/zinc/29/46/01/957294601.db2.gz PGOJXFINEQDUTO-STQMWFEESA-N 1 0 321.381 0.948 20 5 DCBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001463747245 1013161427 /nfs/dbraw/zinc/16/14/27/1013161427.db2.gz MOOYORVJTGGWEV-RKDXNWHRSA-N 1 0 317.371 0.041 20 5 DCBDRO CC(=O)NCC(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001480837156 958297618 /nfs/dbraw/zinc/29/76/18/958297618.db2.gz PTXNTSVYISNYOF-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO Nc1cc(CCCCNC(=O)Cn2ccc([N+](=O)[O-])n2)cc[nH+]1 ZINC001306090990 960120058 /nfs/dbraw/zinc/12/00/58/960120058.db2.gz OJXNWJNZSLILFP-UHFFFAOYSA-N 1 0 318.337 0.908 20 5 DCBDRO Nc1nccc(C(=O)NCCNc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC001306416140 960125709 /nfs/dbraw/zinc/12/57/09/960125709.db2.gz WHOBLWJWNBKLEH-UHFFFAOYSA-N 1 0 302.294 0.231 20 5 DCBDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001308487571 960178064 /nfs/dbraw/zinc/17/80/64/960178064.db2.gz XPNYTJKVZWEIMR-UHFFFAOYSA-N 1 0 317.367 0.632 20 5 DCBDRO CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)NCC[NH3+] ZINC001573374145 1163418562 /nfs/dbraw/zinc/41/85/62/1163418562.db2.gz AFCWMAIZFJYMGU-UHFFFAOYSA-N 1 0 300.702 0.895 20 5 DCBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H]([NH2+]CCO)C1 ZINC001548496444 1016166156 /nfs/dbraw/zinc/16/61/56/1016166156.db2.gz VZPPNJFLIIIYDQ-NSHDSACASA-N 1 0 311.313 0.920 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(N)=O ZINC001505831566 1016597460 /nfs/dbraw/zinc/59/74/60/1016597460.db2.gz YSQSYYAGMMFJPU-UHFFFAOYSA-N 1 0 322.365 0.654 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3CC3CC3)C[C@]2(C)C1 ZINC001520550744 1017286741 /nfs/dbraw/zinc/28/67/41/1017286741.db2.gz AYTUDJUFLYGPFM-DOMZBBRYSA-N 1 0 320.397 0.853 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC001443594240 1010521795 /nfs/dbraw/zinc/52/17/95/1010521795.db2.gz BSVFASPTDRZHLS-LBPRGKRZSA-N 1 0 321.381 0.664 20 5 DCBDRO CCO[C@@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C[NH+](C)C ZINC001458590149 1012224295 /nfs/dbraw/zinc/22/42/95/1012224295.db2.gz GJIQNIPNGPNMCK-VIFPVBQESA-N 1 0 311.342 0.467 20 5 DCBDRO COc1ccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001558548568 1012366462 /nfs/dbraw/zinc/36/64/62/1012366462.db2.gz DIVOYKZDYSNWRZ-LLVKDONJSA-N 1 0 321.333 0.806 20 5 DCBDRO C[C@](CO)([NH2+]CCCS(N)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001560066177 1012438688 /nfs/dbraw/zinc/43/86/88/1012438688.db2.gz KYBADNJGDMXDEY-GFCCVEGCSA-N 1 0 317.367 0.071 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@]23CCOC3)c1 ZINC001560232852 1012445441 /nfs/dbraw/zinc/44/54/41/1012445441.db2.gz JTPHQIMQPOSTMP-UONOGXRCSA-N 1 0 310.354 0.797 20 5 DCBDRO C[N@@H+]1CCCN(CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001542939059 1012494400 /nfs/dbraw/zinc/49/44/00/1012494400.db2.gz YGEITQKAXMNGAJ-UHFFFAOYSA-N 1 0 314.430 0.966 20 5 DCBDRO O=C(NCCN1CCC([NH2+]CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001501258214 1018992781 /nfs/dbraw/zinc/99/27/81/1018992781.db2.gz VEZCVPQLJCEMKF-HUUCEWRRSA-N 1 0 324.425 0.622 20 5 DCBDRO C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000272640087 210043477 /nfs/dbraw/zinc/04/34/77/210043477.db2.gz BAJSWRLJUQYEFO-LLVKDONJSA-N 1 0 322.369 0.741 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000125577557 290933701 /nfs/dbraw/zinc/93/37/01/290933701.db2.gz IAGDUTJKMBNRAT-JTQLQIEISA-N 1 0 321.333 0.729 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000287265149 219415894 /nfs/dbraw/zinc/41/58/94/219415894.db2.gz SBZTXRGRVNVNMT-JTQLQIEISA-N 1 0 309.322 0.852 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](CO)C1 ZINC000174706807 198373163 /nfs/dbraw/zinc/37/31/63/198373163.db2.gz NWAPJGSVNQVAFP-SNVBAGLBSA-N 1 0 309.322 0.856 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188423874 200243630 /nfs/dbraw/zinc/24/36/30/200243630.db2.gz UYXBDQYGUNRQCU-UHFFFAOYSA-N 1 0 315.333 0.936 20 5 DCBDRO CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)n1cc([N+](=O)[O-])cn1 ZINC000158871969 291233061 /nfs/dbraw/zinc/23/30/61/291233061.db2.gz WPBFHPJSZHHAQB-PHIMTYICSA-N 1 0 307.354 0.879 20 5 DCBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000566091300 291268433 /nfs/dbraw/zinc/26/84/33/291268433.db2.gz TZHJWDYTZCJJJR-ZIAGYGMSSA-N 1 0 323.349 0.857 20 5 DCBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000420333468 240021737 /nfs/dbraw/zinc/02/17/37/240021737.db2.gz NRMATIRWDWVEPJ-UHFFFAOYSA-N 1 0 313.379 0.790 20 5 DCBDRO Cc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc(C)n1 ZINC000567104494 291337206 /nfs/dbraw/zinc/33/72/06/291337206.db2.gz PYWNFMFZMSYNBC-CQSZACIVSA-N 1 0 305.338 0.954 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000489918125 241102416 /nfs/dbraw/zinc/10/24/16/241102416.db2.gz MHLDLOPTWXWCSE-JTQLQIEISA-N 1 0 308.342 0.327 20 5 DCBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC000567691249 291370254 /nfs/dbraw/zinc/37/02/54/291370254.db2.gz SPEDWWUNGSVKCF-ZDUSSCGKSA-N 1 0 306.322 0.821 20 5 DCBDRO CC(C)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)OCC1CC1 ZINC000568991384 291456874 /nfs/dbraw/zinc/45/68/74/291456874.db2.gz NIFKRKJYENIRIA-ZDUSSCGKSA-N 1 0 312.370 0.947 20 5 DCBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(N)c([N+](=O)[O-])c1 ZINC000264949500 204297149 /nfs/dbraw/zinc/29/71/49/204297149.db2.gz TYNVWAIZYBPBEX-LLVKDONJSA-N 1 0 321.381 0.461 20 5 DCBDRO C[C@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000264964877 204308083 /nfs/dbraw/zinc/30/80/83/204308083.db2.gz XUKKGJOFNARWEB-LLVKDONJSA-N 1 0 321.381 0.742 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000571539995 291520289 /nfs/dbraw/zinc/52/02/89/291520289.db2.gz SLJZKOAOQNQCRI-GHMZBOCLSA-N 1 0 320.349 0.420 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000286051796 218766388 /nfs/dbraw/zinc/76/63/88/218766388.db2.gz LIYPJZOUJRAGSE-PKFCDNJMSA-N 1 0 309.370 0.993 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063170825 184275634 /nfs/dbraw/zinc/27/56/34/184275634.db2.gz IKZJNKFVDOUPOS-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO CC(C)[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814512 253149620 /nfs/dbraw/zinc/14/96/20/253149620.db2.gz RXEGOVAAUZZFOV-ZIAGYGMSSA-N 1 0 312.370 0.899 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000340999949 253333999 /nfs/dbraw/zinc/33/39/99/253333999.db2.gz XUEUBWBQEGKIAY-GFCCVEGCSA-N 1 0 322.365 0.844 20 5 DCBDRO COC(=O)c1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cn1C ZINC000348093473 254220148 /nfs/dbraw/zinc/22/01/48/254220148.db2.gz ADBKFJZMTYVFTQ-UHFFFAOYSA-N 1 0 307.310 0.706 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000351827778 254372952 /nfs/dbraw/zinc/37/29/52/254372952.db2.gz QTJJTMDPBFNFJK-JOYOIKCWSA-N 1 0 309.370 0.994 20 5 DCBDRO C[NH+](C)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000352053381 254393140 /nfs/dbraw/zinc/39/31/40/254393140.db2.gz SPQQKNIBLBMXLI-LLVKDONJSA-N 1 0 323.353 0.246 20 5 DCBDRO COC(=O)CC[C@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000289731623 221187119 /nfs/dbraw/zinc/18/71/19/221187119.db2.gz GQNIXJHXSKZGDU-VIFPVBQESA-N 1 0 321.293 0.690 20 5 DCBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000275755543 130380880 /nfs/dbraw/zinc/38/08/80/130380880.db2.gz CAUPYMWMXQSFAS-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCN1C(=O)CNC1=O ZINC000285225865 131149597 /nfs/dbraw/zinc/14/95/97/131149597.db2.gz FPLFZSRVNCMWJQ-UHFFFAOYSA-N 1 0 306.322 0.621 20 5 DCBDRO C[C@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000033093265 395716184 /nfs/dbraw/zinc/71/61/84/395716184.db2.gz HGVZVBFPETUODN-LLVKDONJSA-N 1 0 322.365 0.781 20 5 DCBDRO COc1ccc(C[NH2+]CCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000035797677 395721611 /nfs/dbraw/zinc/72/16/11/395721611.db2.gz UYQZYPALAOBPNY-UHFFFAOYSA-N 1 0 303.340 0.242 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000194921973 395811776 /nfs/dbraw/zinc/81/17/76/395811776.db2.gz WTXDCZHDWCMBFB-PHIMTYICSA-N 1 0 318.333 0.553 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126196003 395911088 /nfs/dbraw/zinc/91/10/88/395911088.db2.gz URLSTZFOMXDTSC-GXSJLCMTSA-N 1 0 306.322 0.191 20 5 DCBDRO CCC(CC)(CO)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000230256816 395880146 /nfs/dbraw/zinc/88/01/46/395880146.db2.gz VNVAILCSRIPETN-GFCCVEGCSA-N 1 0 300.359 0.541 20 5 DCBDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCNc1ccccc1[N+](=O)[O-] ZINC000150758091 395971961 /nfs/dbraw/zinc/97/19/61/395971961.db2.gz FRIJYSUIEGJUQH-LBPRGKRZSA-N 1 0 322.365 0.892 20 5 DCBDRO C[N@H+](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000150922879 395975785 /nfs/dbraw/zinc/97/57/85/395975785.db2.gz ZVVGAAQHHDVIQM-UHFFFAOYSA-N 1 0 324.385 0.965 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000277215200 396055511 /nfs/dbraw/zinc/05/55/11/396055511.db2.gz VZEDWTBXQHABSE-LBPRGKRZSA-N 1 0 322.365 0.579 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261726265 396060312 /nfs/dbraw/zinc/06/03/12/396060312.db2.gz QPNAOPPWFRNCTI-QWRGUYRKSA-N 1 0 311.363 0.825 20 5 DCBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261751856 396062389 /nfs/dbraw/zinc/06/23/89/396062389.db2.gz TXSTUXZTSUYNFB-LLVKDONJSA-N 1 0 310.379 0.776 20 5 DCBDRO NC(=O)c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262484717 396145893 /nfs/dbraw/zinc/14/58/93/396145893.db2.gz KHYBAQOKLYAEJG-CYZMBNFOSA-N 1 0 304.350 0.863 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262561405 396155483 /nfs/dbraw/zinc/15/54/83/396155483.db2.gz VODBJWNXBHNWOA-WCQYABFASA-N 1 0 304.350 0.878 20 5 DCBDRO COC[C@@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000262566153 396156134 /nfs/dbraw/zinc/15/61/34/396156134.db2.gz WQOVDSBLGBSXPJ-OAHLLOKOSA-N 1 0 307.350 0.880 20 5 DCBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000076267361 396199737 /nfs/dbraw/zinc/19/97/37/396199737.db2.gz DSILHVCIVNXKCC-SNVBAGLBSA-N 1 0 310.358 0.736 20 5 DCBDRO C[C@@]1(C(N)=O)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280492408 396204568 /nfs/dbraw/zinc/20/45/68/396204568.db2.gz BJPBATWZDPGOSR-IUODEOHRSA-N 1 0 323.349 0.532 20 5 DCBDRO NC(=O)C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000181930179 396244005 /nfs/dbraw/zinc/24/40/05/396244005.db2.gz ZAWUHRAHSAOAPO-LLVKDONJSA-N 1 0 311.342 0.052 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000264459213 396281971 /nfs/dbraw/zinc/28/19/71/396281971.db2.gz JZUPFGWJNKDIMW-UHFFFAOYSA-N 1 0 307.354 0.508 20 5 DCBDRO C[N@H+](CCOCCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282280265 396276848 /nfs/dbraw/zinc/27/68/48/396276848.db2.gz DWBDMVHZIOADHU-CYBMUJFWSA-N 1 0 314.338 0.275 20 5 DCBDRO CCCc1n[nH]c(C(=O)NCC[N@H+](CC)CCO)c1[N+](=O)[O-] ZINC000183918961 396277378 /nfs/dbraw/zinc/27/73/78/396277378.db2.gz HYMBSMUYNWEPRI-UHFFFAOYSA-N 1 0 313.358 0.314 20 5 DCBDRO COc1cc(OCC(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000179071309 396220736 /nfs/dbraw/zinc/22/07/36/396220736.db2.gz SBJKSKPLGGBPRI-SNVBAGLBSA-N 1 0 309.322 0.803 20 5 DCBDRO C[C@H](CC[NH+](C)C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000081765147 396307799 /nfs/dbraw/zinc/30/77/99/396307799.db2.gz ZFHIADAPLGXVLM-LLVKDONJSA-N 1 0 322.365 0.781 20 5 DCBDRO Cc1nn(CCC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000186794797 396358536 /nfs/dbraw/zinc/35/85/36/396358536.db2.gz NIJDZUFLRWRNMM-CABZTGNLSA-N 1 0 309.370 0.912 20 5 DCBDRO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[NH2+]C1 ZINC000269197704 396393832 /nfs/dbraw/zinc/39/38/32/396393832.db2.gz LZGZDCDPMNPFGK-GHMZBOCLSA-N 1 0 308.338 0.261 20 5 DCBDRO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[NH2+]C1 ZINC000269197713 396394094 /nfs/dbraw/zinc/39/40/94/396394094.db2.gz LZGZDCDPMNPFGK-QWRGUYRKSA-N 1 0 308.338 0.261 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000269265253 396401833 /nfs/dbraw/zinc/40/18/33/396401833.db2.gz KKNXQACKLRFBSZ-BXKDBHETSA-N 1 0 309.370 0.994 20 5 DCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000594744545 396504075 /nfs/dbraw/zinc/50/40/75/396504075.db2.gz IZTZTJIDMDLWCG-UHFFFAOYSA-N 1 0 324.362 0.983 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291654538 396504660 /nfs/dbraw/zinc/50/46/60/396504660.db2.gz FLYUSNXZQFETIW-LBPRGKRZSA-N 1 0 303.322 0.900 20 5 DCBDRO C[C@H]([NH3+])Cn1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 ZINC000594652047 396493602 /nfs/dbraw/zinc/49/36/02/396493602.db2.gz KDNBLACXAVSICK-VIFPVBQESA-N 1 0 319.325 0.855 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000581240273 396536841 /nfs/dbraw/zinc/53/68/41/396536841.db2.gz GWMIXNXUCPIPMR-ZDUSSCGKSA-N 1 0 324.337 0.343 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000595243702 396568816 /nfs/dbraw/zinc/56/88/16/396568816.db2.gz GQYXPFUGBOQCLM-SECBINFHSA-N 1 0 308.338 0.820 20 5 DCBDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533497587 396603974 /nfs/dbraw/zinc/60/39/74/396603974.db2.gz YCPPRFIJGLJELL-UHFFFAOYSA-N 1 0 316.383 0.951 20 5 DCBDRO CN1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715451 396617148 /nfs/dbraw/zinc/61/71/48/396617148.db2.gz UKROQKBRJJXARW-ZYHUDNBSSA-N 1 0 309.322 0.155 20 5 DCBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506436 396619790 /nfs/dbraw/zinc/61/97/90/396619790.db2.gz CHEYJHDBYCGYDQ-CABCVRRESA-N 1 0 323.397 0.570 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000561239374 396636413 /nfs/dbraw/zinc/63/64/13/396636413.db2.gz IHZBFRFXIHKQQL-SKDRFNHKSA-N 1 0 306.322 0.017 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCn1ccc([N+](=O)[O-])n1 ZINC000374422343 396663359 /nfs/dbraw/zinc/66/33/59/396663359.db2.gz RIVLXNHMWFWYAS-MCIONIFRSA-N 1 0 323.397 0.975 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000374427352 396663512 /nfs/dbraw/zinc/66/35/12/396663512.db2.gz IFLXCPZLXNSCLF-LBPRGKRZSA-N 1 0 307.354 0.782 20 5 DCBDRO CN(CC(C)(C)[NH3+])C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595941216 396688534 /nfs/dbraw/zinc/68/85/34/396688534.db2.gz BNBOITCPDCWMOF-UHFFFAOYSA-N 1 0 322.365 0.910 20 5 DCBDRO C[C@H](Cc1ccncc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562991411 396691468 /nfs/dbraw/zinc/69/14/68/396691468.db2.gz NZKPVXOGZAOKNA-RISCZKNCSA-N 1 0 305.338 0.768 20 5 DCBDRO CC[NH+]1CCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000589102030 396704334 /nfs/dbraw/zinc/70/43/34/396704334.db2.gz VKRGZMRNUPNAJD-UHFFFAOYSA-N 1 0 314.367 0.384 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000595991358 396704728 /nfs/dbraw/zinc/70/47/28/396704728.db2.gz HIYZUCCAUYZYNN-ZUZCIYMTSA-N 1 0 320.349 0.581 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000563141637 396708113 /nfs/dbraw/zinc/70/81/13/396708113.db2.gz LSPAHRISZDBLQM-AEGPPILISA-N 1 0 318.333 0.400 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000596129262 396722440 /nfs/dbraw/zinc/72/24/40/396722440.db2.gz SEKDWEZJPYPGAZ-LBPRGKRZSA-N 1 0 321.381 0.912 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C(F)F)c1 ZINC000563887328 396789917 /nfs/dbraw/zinc/78/99/17/396789917.db2.gz GFLZHQDFIADULS-MWLCHTKSSA-N 1 0 306.265 0.550 20 5 DCBDRO CC(C)CO[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044631 396734576 /nfs/dbraw/zinc/73/45/76/396734576.db2.gz KVSBWWRZHJFHEV-ZIAGYGMSSA-N 1 0 312.370 0.899 20 5 DCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610808396 396766285 /nfs/dbraw/zinc/76/62/85/396766285.db2.gz HMQIZKQDYLIHQO-ZDUSSCGKSA-N 1 0 319.365 0.733 20 5 DCBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+](C)C ZINC000596430961 396773063 /nfs/dbraw/zinc/77/30/63/396773063.db2.gz MHCGERNFTCVYCM-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO C[NH+](C)C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000596786228 396833258 /nfs/dbraw/zinc/83/32/58/396833258.db2.gz QHHNDIPWBSXZNE-UHFFFAOYSA-N 1 0 319.365 0.733 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000317203900 396801836 /nfs/dbraw/zinc/80/18/36/396801836.db2.gz VFAWBHZNLCITKA-TVQRCGJNSA-N 1 0 308.338 0.242 20 5 DCBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2nccn21 ZINC000564205543 396814875 /nfs/dbraw/zinc/81/48/75/396814875.db2.gz ZLQAMNCZGJJUHQ-ADEWGFFLSA-N 1 0 306.326 0.644 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000591355920 396906723 /nfs/dbraw/zinc/90/67/23/396906723.db2.gz ALJZWVKRGJJWCZ-RISCZKNCSA-N 1 0 322.365 0.895 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591347030 396904164 /nfs/dbraw/zinc/90/41/64/396904164.db2.gz AABSXXBDLDNTRN-BXUZGUMPSA-N 1 0 322.365 0.895 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000591348316 396904287 /nfs/dbraw/zinc/90/42/87/396904287.db2.gz QKSDMFALDIFKSH-GWCFXTLKSA-N 1 0 308.338 0.852 20 5 DCBDRO [NH3+]C[C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591351757 396905675 /nfs/dbraw/zinc/90/56/75/396905675.db2.gz XONXCMDJFWSIOU-LLVKDONJSA-N 1 0 308.338 0.964 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000591361301 396910259 /nfs/dbraw/zinc/91/02/59/396910259.db2.gz SCWVQOQOTGRNPB-LLVKDONJSA-N 1 0 307.354 0.774 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000600669151 396911582 /nfs/dbraw/zinc/91/15/82/396911582.db2.gz IIMIFPBXKTWHAF-ITGUQSILSA-N 1 0 311.363 0.775 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591419302 396917733 /nfs/dbraw/zinc/91/77/33/396917733.db2.gz VKLNSJAAGQQAAB-JTQLQIEISA-N 1 0 320.349 0.549 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3CC[NH2+][C@H]3C2)n1 ZINC000591437752 396920333 /nfs/dbraw/zinc/92/03/33/396920333.db2.gz KANHBKSCLUXFKF-ONGXEEELSA-N 1 0 306.322 0.965 20 5 DCBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000376441265 396930948 /nfs/dbraw/zinc/93/09/48/396930948.db2.gz KVFZIXWKKITJAZ-WCQYABFASA-N 1 0 307.354 0.877 20 5 DCBDRO COc1ccc(CNCc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000600776249 396942527 /nfs/dbraw/zinc/94/25/27/396942527.db2.gz QISVDLKSJKWYNP-UHFFFAOYSA-N 1 0 319.321 0.848 20 5 DCBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000591749121 396997444 /nfs/dbraw/zinc/99/74/44/396997444.db2.gz FFGHWQPVYWFFBQ-FZMZJTMJSA-N 1 0 305.338 0.941 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000601176126 397016290 /nfs/dbraw/zinc/01/62/90/397016290.db2.gz GHNNNMDTZVKUAF-NSHDSACASA-N 1 0 322.369 0.435 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572060119 397017291 /nfs/dbraw/zinc/01/72/91/397017291.db2.gz RBSPJFQFPNTZEN-WCQYABFASA-N 1 0 318.333 0.287 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000597619641 397034053 /nfs/dbraw/zinc/03/40/53/397034053.db2.gz JPQCWQLJTWNXSU-LLVKDONJSA-N 1 0 323.353 0.645 20 5 DCBDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592206544 397129719 /nfs/dbraw/zinc/12/97/19/397129719.db2.gz ZOWIGGAUTXVFEJ-AAEUAGOBSA-N 1 0 324.333 0.829 20 5 DCBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206263 397130352 /nfs/dbraw/zinc/13/03/52/397130352.db2.gz YMOIWOUCJQLPNB-NWDGAFQWSA-N 1 0 324.333 0.829 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592310062 397149461 /nfs/dbraw/zinc/14/94/61/397149461.db2.gz AFACYFUZNUMFKF-ZWNOBZJWSA-N 1 0 309.322 0.548 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC12CCC[NH+]1CCC2 ZINC000619573900 397150804 /nfs/dbraw/zinc/15/08/04/397150804.db2.gz CBGATNRVPATGSJ-UHFFFAOYSA-N 1 0 307.354 0.926 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592332938 397154421 /nfs/dbraw/zinc/15/44/21/397154421.db2.gz AJJKQCCBLHTQNV-SSDOTTSWSA-N 1 0 314.729 0.441 20 5 DCBDRO C[C@H](CCC[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592337139 397155646 /nfs/dbraw/zinc/15/56/46/397155646.db2.gz GFFOMHZNYDYBLM-LLVKDONJSA-N 1 0 322.365 0.958 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592371033 397163155 /nfs/dbraw/zinc/16/31/55/397163155.db2.gz BBYBEQYALVWHJS-RKDXNWHRSA-N 1 0 300.340 0.348 20 5 DCBDRO C[NH+](C)CC1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000601423941 397114793 /nfs/dbraw/zinc/11/47/93/397114793.db2.gz RLLRZKXYCQWDOQ-UHFFFAOYSA-N 1 0 313.379 0.918 20 5 DCBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000598184585 397186592 /nfs/dbraw/zinc/18/65/92/397186592.db2.gz DZZNBLNOVJDFKT-UHFFFAOYSA-N 1 0 311.342 0.015 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666353 397271048 /nfs/dbraw/zinc/27/10/48/397271048.db2.gz XWGQFSSSEXBWJK-VIFPVBQESA-N 1 0 309.326 0.427 20 5 DCBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCN1CC[NH2+]CC1 ZINC000386424188 397288385 /nfs/dbraw/zinc/28/83/85/397288385.db2.gz PUNQVAXOJIKCCI-PLNGDYQASA-N 1 0 304.350 0.629 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000389922514 397298765 /nfs/dbraw/zinc/29/87/65/397298765.db2.gz TUSNJLLZCAENEI-LLVKDONJSA-N 1 0 315.351 0.252 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598593220 397254392 /nfs/dbraw/zinc/25/43/92/397254392.db2.gz QMXMZZUZDHBXTI-NSHDSACASA-N 1 0 324.385 0.974 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000598622962 397262149 /nfs/dbraw/zinc/26/21/49/397262149.db2.gz URFBDQNWVPZQLF-AOOOYVTPSA-N 1 0 306.322 0.774 20 5 DCBDRO CN(CC[NH+]1CCCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000593381558 397358616 /nfs/dbraw/zinc/35/86/16/397358616.db2.gz IJKSCPUZUJUWPQ-UHFFFAOYSA-N 1 0 324.385 0.919 20 5 DCBDRO COC(=O)Cc1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199162 397361092 /nfs/dbraw/zinc/36/10/92/397361092.db2.gz FVNUREOGSFEMAB-LBPRGKRZSA-N 1 0 323.349 0.789 20 5 DCBDRO Cc1ccc(NCCCNc2nc(N)[nH+]c(N)n2)c([N+](=O)[O-])c1 ZINC000599047371 397327717 /nfs/dbraw/zinc/32/77/17/397327717.db2.gz UEAQUJIPNVXLFR-UHFFFAOYSA-N 1 0 318.341 0.249 20 5 DCBDRO C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1CC[NH3+] ZINC000593917659 397479286 /nfs/dbraw/zinc/47/92/86/397479286.db2.gz XHJKNVFJRVINOI-YPMHNXCESA-N 1 0 322.365 0.732 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599587546 397480576 /nfs/dbraw/zinc/48/05/76/397480576.db2.gz FFXTYECCIHZZOF-VIFPVBQESA-N 1 0 310.310 0.713 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC[C@H]1CCO ZINC000602786245 397485586 /nfs/dbraw/zinc/48/55/86/397485586.db2.gz DZUBSINVTZYZFR-LLVKDONJSA-N 1 0 300.384 0.900 20 5 DCBDRO C[NH2+]C[C@](C)(O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579246418 397542472 /nfs/dbraw/zinc/54/24/72/397542472.db2.gz HIKBHUMDQPNUQO-AWEZNQCLSA-N 1 0 309.370 0.082 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(O)CCOCC1)OCCO2 ZINC000609140477 397761909 /nfs/dbraw/zinc/76/19/09/397761909.db2.gz HRGSQIDMKGWAIL-UHFFFAOYSA-N 1 0 324.333 0.997 20 5 DCBDRO Cc1nn(C)c(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000609412961 397774809 /nfs/dbraw/zinc/77/48/09/397774809.db2.gz JCKLDZGZNOKUDR-SNVBAGLBSA-N 1 0 307.354 0.851 20 5 DCBDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265652 397810522 /nfs/dbraw/zinc/81/05/22/397810522.db2.gz IQJMLFMJKKIZOL-VIFPVBQESA-N 1 0 302.356 0.608 20 5 DCBDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265651 397810528 /nfs/dbraw/zinc/81/05/28/397810528.db2.gz IQJMLFMJKKIZOL-SECBINFHSA-N 1 0 302.356 0.608 20 5 DCBDRO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](C)CC1 ZINC000609583494 397783756 /nfs/dbraw/zinc/78/37/56/397783756.db2.gz LVKWBXXPSLNWOM-NSHDSACASA-N 1 0 322.365 0.603 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000122898189 158225403 /nfs/dbraw/zinc/22/54/03/158225403.db2.gz FVCCUJNGIOOHIS-VIFPVBQESA-N 1 0 315.351 0.634 20 5 DCBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000133038415 158315102 /nfs/dbraw/zinc/31/51/02/158315102.db2.gz QOXBCSFTYVWPDE-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO CO[C@H](C[NH3+])CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261924618 158754419 /nfs/dbraw/zinc/75/44/19/158754419.db2.gz SCZPNXAYMOZKLX-AWEZNQCLSA-N 1 0 322.365 0.607 20 5 DCBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nncn1C ZINC000285400560 158964908 /nfs/dbraw/zinc/96/49/08/158964908.db2.gz OPVVCFGPOIUVFF-ZDUSSCGKSA-N 1 0 320.353 0.872 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000368376542 159390364 /nfs/dbraw/zinc/39/03/64/159390364.db2.gz FZWSCILVJLENRL-GFCCVEGCSA-N 1 0 320.349 0.969 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000067511465 286906217 /nfs/dbraw/zinc/90/62/17/286906217.db2.gz JJKQZIWZQYUQJD-VOTSOKGWSA-N 1 0 318.377 0.972 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)C(C)(C)C ZINC000246462584 287084111 /nfs/dbraw/zinc/08/41/11/287084111.db2.gz FOCMEZMVVJGRMO-VXGBXAGGSA-N 1 0 300.359 0.491 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000356286570 287200666 /nfs/dbraw/zinc/20/06/66/287200666.db2.gz XGGJZIFVUMYURA-AWEZNQCLSA-N 1 0 307.354 0.886 20 5 DCBDRO C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[NH2+]1 ZINC000420342366 287292615 /nfs/dbraw/zinc/29/26/15/287292615.db2.gz WUOZJVQNERQQPO-SMDDNHRTSA-N 1 0 304.350 0.994 20 5 DCBDRO COC(=O)c1ccc(S(=O)(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000420412093 287296286 /nfs/dbraw/zinc/29/62/86/287296286.db2.gz BQMPCAMZUPBFIJ-SSDOTTSWSA-N 1 0 317.323 0.007 20 5 DCBDRO Cc1ccnc(N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000265256872 415125666 /nfs/dbraw/zinc/12/56/66/415125666.db2.gz RRQUOXZKGXHDIV-UHFFFAOYSA-N 1 0 307.354 0.508 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420414480 287296713 /nfs/dbraw/zinc/29/67/13/287296713.db2.gz HGBPJXUCSRXECI-NSHDSACASA-N 1 0 315.395 0.912 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000268248071 415183826 /nfs/dbraw/zinc/18/38/26/415183826.db2.gz WKMVYUJICMHWPW-QPUJVOFHSA-N 1 0 306.322 0.908 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])n1 ZINC000420443075 287298060 /nfs/dbraw/zinc/29/80/60/287298060.db2.gz ACQRBMJFIQVEMG-SECBINFHSA-N 1 0 319.387 0.463 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272601405 415289973 /nfs/dbraw/zinc/28/99/73/415289973.db2.gz XNYOVONOFVNNTR-LLVKDONJSA-N 1 0 309.322 0.751 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@H]1O ZINC000352816214 415335100 /nfs/dbraw/zinc/33/51/00/415335100.db2.gz NIGFHOYABAIRKR-CHWSQXEVSA-N 1 0 309.322 0.615 20 5 DCBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343178128 415485350 /nfs/dbraw/zinc/48/53/50/415485350.db2.gz AFUISYXUQVGYLU-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353213889 415475838 /nfs/dbraw/zinc/47/58/38/415475838.db2.gz DJEOEQOAEMRPQQ-SECBINFHSA-N 1 0 317.371 0.089 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000288152545 415675077 /nfs/dbraw/zinc/67/50/77/415675077.db2.gz MIMRRMQADZFPAK-VIFPVBQESA-N 1 0 324.337 0.608 20 5 DCBDRO NC(=O)c1ccnc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000290564353 415819721 /nfs/dbraw/zinc/81/97/21/415819721.db2.gz SJMQENIDSUWBEM-UHFFFAOYSA-N 1 0 305.338 0.621 20 5 DCBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCN(C)CC1 ZINC000122099680 415827710 /nfs/dbraw/zinc/82/77/10/415827710.db2.gz OUBXGPSELUILMJ-LLVKDONJSA-N 1 0 310.354 0.801 20 5 DCBDRO Cn1c(C(=O)NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000356429425 415918890 /nfs/dbraw/zinc/91/88/90/415918890.db2.gz CZHJWVDBUYPQFD-UHFFFAOYSA-N 1 0 310.354 0.774 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC([NH+](C)C)C1 ZINC000345296216 416073509 /nfs/dbraw/zinc/07/35/09/416073509.db2.gz IALKBPRHXZSJEP-LLVKDONJSA-N 1 0 324.385 0.600 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301813628 416094331 /nfs/dbraw/zinc/09/43/31/416094331.db2.gz HZELPLCLVUUJGI-ZDUSSCGKSA-N 1 0 319.365 0.908 20 5 DCBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178770915 416172091 /nfs/dbraw/zinc/17/20/91/416172091.db2.gz SVGAKRNEHFLINZ-VIFPVBQESA-N 1 0 316.317 0.918 20 5 DCBDRO Cc1c(NC(=O)CCN2CCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000358129293 416197690 /nfs/dbraw/zinc/19/76/90/416197690.db2.gz RWAUOWJPJWFWQB-LBPRGKRZSA-N 1 0 322.365 0.891 20 5 DCBDRO COc1cc(CNC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000358163216 416204472 /nfs/dbraw/zinc/20/44/72/416204472.db2.gz IRQLVUIOFBPXQZ-CQSZACIVSA-N 1 0 311.338 0.465 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000183954781 416250248 /nfs/dbraw/zinc/25/02/48/416250248.db2.gz WCDZLIQEAPHKJJ-UHFFFAOYSA-N 1 0 309.366 0.958 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000184091314 416251894 /nfs/dbraw/zinc/25/18/94/416251894.db2.gz HREQQHHHXNQDPL-UHFFFAOYSA-N 1 0 310.354 0.920 20 5 DCBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000189434500 416266861 /nfs/dbraw/zinc/26/68/61/416266861.db2.gz DIFRZUJNDPRBGO-LBPRGKRZSA-N 1 0 311.386 0.568 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359308282 416321370 /nfs/dbraw/zinc/32/13/70/416321370.db2.gz PJPLTBIJMITEMT-RYUDHWBXSA-N 1 0 304.350 0.993 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359325637 416341778 /nfs/dbraw/zinc/34/17/78/416341778.db2.gz VNVRHWPGEKKIPZ-PHIMTYICSA-N 1 0 320.349 0.693 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000415507056 416345693 /nfs/dbraw/zinc/34/56/93/416345693.db2.gz BYBPPWRKPREKQI-MRVPVSSYSA-N 1 0 308.338 0.861 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000420284960 416417787 /nfs/dbraw/zinc/41/77/87/416417787.db2.gz YVPMNIUBJWYXQS-LBPRGKRZSA-N 1 0 301.350 1.459 20 5 DCBDRO C[NH+](C)CCn1nnnc1SCCn1ccc([N+](=O)[O-])n1 ZINC000360412222 416389149 /nfs/dbraw/zinc/38/91/49/416389149.db2.gz FTHPCDRPGUPRTK-UHFFFAOYSA-N 1 0 312.359 0.132 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000360812071 416411790 /nfs/dbraw/zinc/41/17/90/416411790.db2.gz JITFLEZCMFMNAC-UHFFFAOYSA-N 1 0 313.277 1.161 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000583929952 416485883 /nfs/dbraw/zinc/48/58/83/416485883.db2.gz KWRUCADGENZLHS-ZYHUDNBSSA-N 1 0 306.326 0.022 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000583929949 416486383 /nfs/dbraw/zinc/48/63/83/416486383.db2.gz KWRUCADGENZLHS-CMPLNLGQSA-N 1 0 306.326 0.022 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC1CC[NH2+]CC1 ZINC000428788108 287331404 /nfs/dbraw/zinc/33/14/04/287331404.db2.gz ZCQBUPBMBXUIKU-UHFFFAOYSA-N 1 0 321.333 0.777 20 5 DCBDRO CNc1nccc(C(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000590423491 416527170 /nfs/dbraw/zinc/52/71/70/416527170.db2.gz QPYKXTMNGBJWRC-UHFFFAOYSA-N 1 0 307.354 1.247 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000423676902 416538908 /nfs/dbraw/zinc/53/89/08/416538908.db2.gz RKHCDDDNAODCCC-VXGBXAGGSA-N 1 0 307.350 0.830 20 5 DCBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000424068124 416608152 /nfs/dbraw/zinc/60/81/52/416608152.db2.gz ALEPBHPIPYTPJW-LLVKDONJSA-N 1 0 301.306 0.708 20 5 DCBDRO C[C@@H]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C[NH3+] ZINC000424077534 416609907 /nfs/dbraw/zinc/60/99/07/416609907.db2.gz RMBVLYHUUGQKPX-WOPDTQHZSA-N 1 0 322.365 0.588 20 5 DCBDRO COc1ccc(C(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000539748792 416581593 /nfs/dbraw/zinc/58/15/93/416581593.db2.gz ZIYUJPUAHOLQHU-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000557634671 416746083 /nfs/dbraw/zinc/74/60/83/416746083.db2.gz OINBCKGSZREQLX-LLVKDONJSA-N 1 0 321.381 1.445 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443449877 416760512 /nfs/dbraw/zinc/76/05/12/416760512.db2.gz BODLRVGDGIZPLV-LBPRGKRZSA-N 1 0 301.368 0.998 20 5 DCBDRO CCC[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000517368271 416799416 /nfs/dbraw/zinc/79/94/16/416799416.db2.gz SFTUGAWBEISOSG-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO C[C@H](O)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519636142 416924241 /nfs/dbraw/zinc/92/42/41/416924241.db2.gz CBHUMYNCVFXBLR-UWVGGRQHSA-N 1 0 317.367 0.232 20 5 DCBDRO C[NH2+]C[C@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000429447203 416973396 /nfs/dbraw/zinc/97/33/96/416973396.db2.gz GLFCQQIAVNWJRR-GFCCVEGCSA-N 1 0 309.370 0.866 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000449611789 417158708 /nfs/dbraw/zinc/15/87/08/417158708.db2.gz YNGTWDCTADREKU-ZJUUUORDSA-N 1 0 312.374 0.681 20 5 DCBDRO CC(C)(C)OC(=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569232228 417230394 /nfs/dbraw/zinc/23/03/94/417230394.db2.gz OWXBGOPQVVSNLS-LLVKDONJSA-N 1 0 314.342 0.474 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449700653 417167211 /nfs/dbraw/zinc/16/72/11/417167211.db2.gz QELAKUIZXVEEOD-LBPRGKRZSA-N 1 0 318.333 0.974 20 5 DCBDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415286495 417356243 /nfs/dbraw/zinc/35/62/43/417356243.db2.gz UAOWQYWBNXHCTA-LLVKDONJSA-N 1 0 320.349 0.991 20 5 DCBDRO COc1ccc(CC(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000570800307 417391521 /nfs/dbraw/zinc/39/15/21/417391521.db2.gz IKRFCDMXYQUGQS-LLVKDONJSA-N 1 0 309.322 0.332 20 5 DCBDRO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000451940333 417417874 /nfs/dbraw/zinc/41/78/74/417417874.db2.gz XSMBEFXYYZENKI-QMMMGPOBSA-N 1 0 305.331 0.962 20 5 DCBDRO CN(C)C(=O)N[C@@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451997260 417428647 /nfs/dbraw/zinc/42/86/47/417428647.db2.gz RADNBBZECBBJPZ-LLVKDONJSA-N 1 0 310.358 0.527 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000415347125 417370179 /nfs/dbraw/zinc/37/01/79/417370179.db2.gz BEHVGDSXXBZDRW-VIFPVBQESA-N 1 0 322.321 0.492 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415382589 417377829 /nfs/dbraw/zinc/37/78/29/417377829.db2.gz QDAGGASNYJGKHI-UHFFFAOYSA-N 1 0 308.338 0.949 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571284581 417441243 /nfs/dbraw/zinc/44/12/43/417441243.db2.gz FDTZPSZRPWWLII-LLVKDONJSA-N 1 0 313.379 0.662 20 5 DCBDRO [NH3+]CC[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(F)(F)F ZINC000576149518 417584246 /nfs/dbraw/zinc/58/42/46/417584246.db2.gz ZMOWDBSADNJBLH-MRVPVSSYSA-N 1 0 322.243 0.152 20 5 DCBDRO C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000531044055 417603296 /nfs/dbraw/zinc/60/32/96/417603296.db2.gz KUWCBCNINNDGCF-LLVKDONJSA-N 1 0 320.349 0.991 20 5 DCBDRO C[C@@H]1COCC[N@@H+]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000576766856 417634143 /nfs/dbraw/zinc/63/41/43/417634143.db2.gz YWOXIHWEXYOMDR-CYBMUJFWSA-N 1 0 323.397 0.976 20 5 DCBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000579142106 417690609 /nfs/dbraw/zinc/69/06/09/417690609.db2.gz ZNXJISNRTLZWSY-JTQLQIEISA-N 1 0 307.354 1.127 20 5 DCBDRO CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000316675626 261175340 /nfs/dbraw/zinc/17/53/40/261175340.db2.gz HHICIRQNKNRILC-YBJDMEARSA-N 1 0 304.350 0.709 20 5 DCBDRO O=C(NCC1C[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000357247802 261520243 /nfs/dbraw/zinc/52/02/43/261520243.db2.gz PVZKYMAUVHPPSR-UHFFFAOYSA-N 1 0 301.306 0.730 20 5 DCBDRO Cc1c(NC(=O)[C@@H](C)N2CCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000358157216 261642078 /nfs/dbraw/zinc/64/20/78/261642078.db2.gz VBFQWZRNYVFWLS-NEPJUHHUSA-N 1 0 322.365 0.890 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000394076290 262161675 /nfs/dbraw/zinc/16/16/75/262161675.db2.gz QQNYJFHBPISPKB-VBROQKIQSA-N 1 0 304.350 0.628 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418086094 262269701 /nfs/dbraw/zinc/26/97/01/262269701.db2.gz YAEZOZDRSPLFOX-QMMMGPOBSA-N 1 0 306.326 0.865 20 5 DCBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418240415 262273377 /nfs/dbraw/zinc/27/33/77/262273377.db2.gz ZJONRIPTRVOVBC-GWCFXTLKSA-N 1 0 308.338 0.943 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000418776746 262289318 /nfs/dbraw/zinc/28/93/18/262289318.db2.gz GPVQDJMTDDFGBO-PWSUYJOCSA-N 1 0 320.349 0.592 20 5 DCBDRO C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000419001708 262303019 /nfs/dbraw/zinc/30/30/19/262303019.db2.gz LUJQUTKLWDBIKZ-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419152890 262313801 /nfs/dbraw/zinc/31/38/01/262313801.db2.gz ORERAWCHDRILCO-WDEREUQCSA-N 1 0 320.349 0.592 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419156445 262313923 /nfs/dbraw/zinc/31/39/23/262313923.db2.gz VERLUTDIBIZUHT-NSHDSACASA-N 1 0 322.365 0.888 20 5 DCBDRO CN(C(=O)CN1CCCO[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000420379514 262372800 /nfs/dbraw/zinc/37/28/00/262372800.db2.gz ATZAYASLWNZUHK-CQSZACIVSA-N 1 0 322.365 0.607 20 5 DCBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@H]2O)cc([N+](=O)[O-])c1C ZINC000423668645 262453204 /nfs/dbraw/zinc/45/32/04/262453204.db2.gz KNRQGWSOJWFXLW-CMPLNLGQSA-N 1 0 309.322 0.222 20 5 DCBDRO COc1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415433130 271238734 /nfs/dbraw/zinc/23/87/34/271238734.db2.gz GNHXZIAYEOTMCX-UHFFFAOYSA-N 1 0 323.353 0.630 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419042914 271269678 /nfs/dbraw/zinc/26/96/78/271269678.db2.gz QDJJMQHQXXVCAB-LLVKDONJSA-N 1 0 322.365 0.225 20 5 DCBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000420202664 271363631 /nfs/dbraw/zinc/36/36/31/271363631.db2.gz NXIWJTXLSLEEJO-MRVPVSSYSA-N 1 0 302.356 0.510 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420440186 271369872 /nfs/dbraw/zinc/36/98/72/271369872.db2.gz NHARSGSULUHAJB-BQBZGAKWSA-N 1 0 321.330 0.757 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000490320754 272072995 /nfs/dbraw/zinc/07/29/95/272072995.db2.gz RXXAAJJTIFWIPD-GHMZBOCLSA-N 1 0 310.358 0.573 20 5 DCBDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000490348376 272074056 /nfs/dbraw/zinc/07/40/56/272074056.db2.gz ZHEQQCTWKZIOCL-LLVKDONJSA-N 1 0 312.374 0.821 20 5 DCBDRO C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000494780738 272231321 /nfs/dbraw/zinc/23/13/21/272231321.db2.gz CRSSGTPVBJFYRI-MNOVXSKESA-N 1 0 321.337 0.814 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514722423 272405173 /nfs/dbraw/zinc/40/51/73/272405173.db2.gz RHPCMJTXEGNUBT-LLVKDONJSA-N 1 0 322.369 0.416 20 5 DCBDRO CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515055735 272415974 /nfs/dbraw/zinc/41/59/74/272415974.db2.gz ZPEWACNPKNHQHO-CMPLNLGQSA-N 1 0 311.338 0.449 20 5 DCBDRO CNC(=O)c1ccc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000270603201 277016826 /nfs/dbraw/zinc/01/68/26/277016826.db2.gz YNXXJFVYMZVFRT-UHFFFAOYSA-N 1 0 322.365 0.505 20 5 DCBDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548621768 288160217 /nfs/dbraw/zinc/16/02/17/288160217.db2.gz BHAOZHBGISJDMB-JTQLQIEISA-N 1 0 314.367 0.752 20 5 DCBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)N1 ZINC000192682326 280280177 /nfs/dbraw/zinc/28/01/77/280280177.db2.gz RBXWWTVCHGHUJU-AWEZNQCLSA-N 1 0 304.306 0.769 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000122806227 280354018 /nfs/dbraw/zinc/35/40/18/280354018.db2.gz FGOMTNUASHOFME-UHFFFAOYSA-N 1 0 303.315 0.718 20 5 DCBDRO NC(=O)c1ccc(C[N@H+](CCO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000275472309 295179103 /nfs/dbraw/zinc/17/91/03/295179103.db2.gz CWGOTVUBEQZVQM-UHFFFAOYSA-N 1 0 323.349 0.667 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000269191750 295243388 /nfs/dbraw/zinc/24/33/88/295243388.db2.gz JYALGMXITWLHHN-SNVBAGLBSA-N 1 0 307.306 0.833 20 5 DCBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCN1CC[NH2+]CC1 ZINC000314229962 295406885 /nfs/dbraw/zinc/40/68/85/295406885.db2.gz CXJBARTWBXBGHA-WAYWQWQTSA-N 1 0 304.350 0.629 20 5 DCBDRO CC(C)(C)CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570396768 332750182 /nfs/dbraw/zinc/75/01/82/332750182.db2.gz QICXXFSQNHGULZ-WCQYABFASA-N 1 0 314.386 0.929 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000570464699 332759979 /nfs/dbraw/zinc/75/99/79/332759979.db2.gz TYOPFNGINVMEDN-MNOVXSKESA-N 1 0 318.333 0.287 20 5 DCBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000571204908 333682252 /nfs/dbraw/zinc/68/22/52/333682252.db2.gz HDBAISXNNKSQSQ-VIFPVBQESA-N 1 0 307.306 0.848 20 5 DCBDRO CCOc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000583704976 337092550 /nfs/dbraw/zinc/09/25/50/337092550.db2.gz XMBOXLMUPOVANM-NWDGAFQWSA-N 1 0 320.349 0.742 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415610048 534366074 /nfs/dbraw/zinc/36/60/74/534366074.db2.gz WNLXKNXPNPHKGT-OAHLLOKOSA-N 1 0 318.333 0.745 20 5 DCBDRO CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC[NH2+]CC1 ZINC000236806985 521425786 /nfs/dbraw/zinc/42/57/86/521425786.db2.gz WWPAYNIZBNPZMH-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000266141118 523217214 /nfs/dbraw/zinc/21/72/14/523217214.db2.gz HCIORGFUAYUWCD-UHFFFAOYSA-N 1 0 313.358 0.266 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000192483554 524014514 /nfs/dbraw/zinc/01/45/14/524014514.db2.gz PFFZPNLUTAKPLR-TXEJJXNPSA-N 1 0 305.334 0.994 20 5 DCBDRO COc1ccc(OCC[N@H+](CCO)CCCO)c([N+](=O)[O-])c1 ZINC000266532964 524955297 /nfs/dbraw/zinc/95/52/97/524955297.db2.gz MMVKHJULBOEGGI-UHFFFAOYSA-N 1 0 314.338 0.659 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000157393001 525572915 /nfs/dbraw/zinc/57/29/15/525572915.db2.gz JXOOIRJPEJSDMN-LLVKDONJSA-N 1 0 315.351 0.170 20 5 DCBDRO Cc1c(C(=O)NCCCC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262273362 525610478 /nfs/dbraw/zinc/61/04/78/525610478.db2.gz VCOBHRJTFVQQSG-UHFFFAOYSA-N 1 0 318.337 0.953 20 5 DCBDRO CC(C)(C)[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331329777 526737073 /nfs/dbraw/zinc/73/70/73/526737073.db2.gz QPQSHVFNZDHVML-QWHCGFSZSA-N 1 0 312.370 0.899 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262609474 527090635 /nfs/dbraw/zinc/09/06/35/527090635.db2.gz CKIXXQJTJYEMPU-NEPJUHHUSA-N 1 0 307.354 0.843 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000156797138 527416408 /nfs/dbraw/zinc/41/64/08/527416408.db2.gz FOFKXHSEOVBVTK-CQSZACIVSA-N 1 0 321.337 0.042 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415369320 528613669 /nfs/dbraw/zinc/61/36/69/528613669.db2.gz BPIOHHUTFWUNFO-VIFPVBQESA-N 1 0 324.337 0.786 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001021830601 658562331 /nfs/dbraw/zinc/56/23/31/658562331.db2.gz SBPXDKGQNMCTGF-AOOOYVTPSA-N 1 0 318.337 0.707 20 5 DCBDRO CCn1ccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064136 658820976 /nfs/dbraw/zinc/82/09/76/658820976.db2.gz XOKNPDXMXVVUNB-WRWGMCAJSA-N 1 0 307.354 0.305 20 5 DCBDRO Cc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001025776813 659556887 /nfs/dbraw/zinc/55/68/87/659556887.db2.gz FWBZYUJETAHUQQ-LBELIVKGSA-N 1 0 306.322 0.195 20 5 DCBDRO CN(CCn1cc([N+](=O)[O-])cn1)CC(C)(C)S(C)(=O)=O ZINC000124026393 659595593 /nfs/dbraw/zinc/59/55/93/659595593.db2.gz CKLBCCPYGUUSGU-UHFFFAOYSA-N 1 0 304.372 0.546 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH+]([C@H]2CCNC(=O)CC2)CC1 ZINC000894110144 661490470 /nfs/dbraw/zinc/49/04/70/661490470.db2.gz BIJIEVRIXDKQLC-LLVKDONJSA-N 1 0 322.369 0.119 20 5 DCBDRO COC(=O)[C@@H]1[C@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1(F)F ZINC000894343487 661907025 /nfs/dbraw/zinc/90/70/25/661907025.db2.gz CXQBZZVQJXBURM-IUCAKERBSA-N 1 0 304.253 0.435 20 5 DCBDRO COc1cc(OCC(=O)NC[C@@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000928566140 662131938 /nfs/dbraw/zinc/13/19/38/662131938.db2.gz POMXSXBRCVZWFS-JTQLQIEISA-N 1 0 309.322 0.803 20 5 DCBDRO CN1CCOC[C@@]1(CO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896458024 662273244 /nfs/dbraw/zinc/27/32/44/662273244.db2.gz LPSYXLLVYLDKCJ-HNNXBMFYSA-N 1 0 309.366 0.420 20 5 DCBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCN(C(=O)C(N)=O)CC1 ZINC000985613822 662492694 /nfs/dbraw/zinc/49/26/94/662492694.db2.gz OXSPKNVBOKEKEN-UHFFFAOYSA-N 1 0 320.349 0.503 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901135481 663323992 /nfs/dbraw/zinc/32/39/92/663323992.db2.gz NTXUBCCFWMEJOQ-WCQYABFASA-N 1 0 307.354 0.924 20 5 DCBDRO CN1CCOC[C@]1(CO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903277208 663451372 /nfs/dbraw/zinc/45/13/72/663451372.db2.gz FCBIPFAMAGGUEV-GOEBONIOSA-N 1 0 321.377 0.865 20 5 DCBDRO CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1CC[NH2+]C1 ZINC000911788124 664109683 /nfs/dbraw/zinc/10/96/83/664109683.db2.gz OQGRLURKKKESEI-HZMBPMFUSA-N 1 0 318.333 0.908 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCSC(F)(F)F)c1 ZINC000231950963 664633897 /nfs/dbraw/zinc/63/38/97/664633897.db2.gz BRYPKBHSULQNQR-QMMMGPOBSA-N 1 0 314.289 0.995 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040699194 664646810 /nfs/dbraw/zinc/64/68/10/664646810.db2.gz AEFMAWRCBFFWCN-CHWSQXEVSA-N 1 0 311.382 0.349 20 5 DCBDRO COCCNC(=O)C1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000917422668 665132025 /nfs/dbraw/zinc/13/20/25/665132025.db2.gz MIUZEQWMUXMRFV-UHFFFAOYSA-N 1 0 311.342 0.223 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996428716 666790496 /nfs/dbraw/zinc/79/04/96/666790496.db2.gz GNTOFEDDAYQGLF-ZIAGYGMSSA-N 1 0 304.350 0.827 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996429334 666790887 /nfs/dbraw/zinc/79/08/87/666790887.db2.gz PYYJCOYPYWQWPR-ZIAGYGMSSA-N 1 0 322.340 0.967 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000861542073 666941939 /nfs/dbraw/zinc/94/19/39/666941939.db2.gz LNKPXFAKYOAXKH-MRVPVSSYSA-N 1 0 310.310 0.348 20 5 DCBDRO Cn1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c([N+](=O)[O-])n1 ZINC000923446692 667533918 /nfs/dbraw/zinc/53/39/18/667533918.db2.gz MZEYJSHLETUHHO-GFCCVEGCSA-N 1 0 309.370 0.658 20 5 DCBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000869194557 667636255 /nfs/dbraw/zinc/63/62/55/667636255.db2.gz GQYLLLPGRDHTIF-NWDGAFQWSA-N 1 0 323.324 0.554 20 5 DCBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000886591437 667779895 /nfs/dbraw/zinc/77/98/95/667779895.db2.gz UQKFLKAWFKCZAU-NSHDSACASA-N 1 0 310.358 0.375 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([NH2+]C2CCC2)CC1 ZINC000889835760 668066397 /nfs/dbraw/zinc/06/63/97/668066397.db2.gz VOYHTAFOLUXPGD-UHFFFAOYSA-N 1 0 307.354 0.924 20 5 DCBDRO Cc1c(CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)cccc1[N+](=O)[O-] ZINC000924732198 668233263 /nfs/dbraw/zinc/23/32/63/668233263.db2.gz XEIGHZCYQSJYPR-NSHDSACASA-N 1 0 306.322 0.885 20 5 DCBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)c1 ZINC000929270442 668670505 /nfs/dbraw/zinc/67/05/05/668670505.db2.gz OKSIWCGRGSZQIG-OAHLLOKOSA-N 1 0 321.377 0.993 20 5 DCBDRO O=C(C[NH2+][C@@H](CO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000771810323 668753153 /nfs/dbraw/zinc/75/31/53/668753153.db2.gz YCDZIUKZFKVCEF-ZDUSSCGKSA-N 1 0 305.334 0.844 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577164 669066427 /nfs/dbraw/zinc/06/64/27/669066427.db2.gz HCDMRODRQNVWNZ-TZMCWYRMSA-N 1 0 306.366 0.783 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000782912774 669131322 /nfs/dbraw/zinc/13/13/22/669131322.db2.gz HHHDFUZXPVAHMH-GFCCVEGCSA-N 1 0 309.370 0.934 20 5 DCBDRO NC(=O)C1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000784191338 669193242 /nfs/dbraw/zinc/19/32/42/669193242.db2.gz YUODIRYGGNVNGO-NSHDSACASA-N 1 0 323.349 0.722 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1C(C)(C)C ZINC000880612417 669249379 /nfs/dbraw/zinc/24/93/79/669249379.db2.gz HEPFTTLIDKRAQF-LLVKDONJSA-N 1 0 309.370 0.980 20 5 DCBDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@@H]21 ZINC000932062625 669306050 /nfs/dbraw/zinc/30/60/50/669306050.db2.gz MJSRULCAMLRWIP-NTZNESFSSA-N 1 0 308.338 0.922 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000934394520 669600726 /nfs/dbraw/zinc/60/07/26/669600726.db2.gz HCDHCEMERSPTDB-GXSJLCMTSA-N 1 0 307.354 0.841 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000158646852 669927946 /nfs/dbraw/zinc/92/79/46/669927946.db2.gz NAKFWKGXXSENEO-DGCLKSJQSA-N 1 0 314.363 0.795 20 5 DCBDRO Nc1nccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406547 670548842 /nfs/dbraw/zinc/54/88/42/670548842.db2.gz DBBZXTZVXQRVLL-NXEZZACHSA-N 1 0 321.337 0.165 20 5 DCBDRO O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855402302 670704667 /nfs/dbraw/zinc/70/46/67/670704667.db2.gz XFMXNEBKXMSXGB-RBSFLKMASA-N 1 0 319.361 0.535 20 5 DCBDRO O=[N+]([O-])c1cccc([N+](=O)[O-])c1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848766654 670723545 /nfs/dbraw/zinc/72/35/45/670723545.db2.gz ZTODVIFIHLJSHX-VHSXEESVSA-N 1 0 308.294 0.758 20 5 DCBDRO O=[N+]([O-])c1c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc2ccccn21 ZINC000848768101 670724634 /nfs/dbraw/zinc/72/46/34/670724634.db2.gz VOXBVNGNJIREMK-WDEREUQCSA-N 1 0 303.322 0.498 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000857107606 670884342 /nfs/dbraw/zinc/88/43/42/670884342.db2.gz AWTYFGZAKKYYDF-JTQLQIEISA-N 1 0 310.358 0.875 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000858640586 671025884 /nfs/dbraw/zinc/02/58/84/671025884.db2.gz PRZKSBWLHDUWTQ-SSDOTTSWSA-N 1 0 321.330 0.710 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC1=CC[NH2+]CC1 ZINC000818580000 671031916 /nfs/dbraw/zinc/03/19/16/671031916.db2.gz YSCSPASRRPSBMQ-UHFFFAOYSA-N 1 0 315.333 0.980 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000818948406 671079306 /nfs/dbraw/zinc/07/93/06/671079306.db2.gz DHFMSJHFPKLZCL-IONNQARKSA-N 1 0 309.153 0.936 20 5 DCBDRO C[C@H]1COCCN1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819018663 671085965 /nfs/dbraw/zinc/08/59/65/671085965.db2.gz WLYZMDJUWMWTMD-WFASDCNBSA-N 1 0 309.366 0.939 20 5 DCBDRO Cc1ncc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000819180029 671100924 /nfs/dbraw/zinc/10/09/24/671100924.db2.gz SBZVGTBHMAXVRN-NSHDSACASA-N 1 0 311.367 0.749 20 5 DCBDRO O=C(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000819211269 671102461 /nfs/dbraw/zinc/10/24/61/671102461.db2.gz YCEICOLGZIJAMS-ZDUSSCGKSA-N 1 0 309.322 0.077 20 5 DCBDRO C[C@]1(CO)C[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000859831716 671148524 /nfs/dbraw/zinc/14/85/24/671148524.db2.gz ACYHAPQVUHOMPP-OAGGEKHMSA-N 1 0 324.377 0.941 20 5 DCBDRO [NH3+]C[C@@H]1CC(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)=NO1 ZINC000852853935 671175130 /nfs/dbraw/zinc/17/51/30/671175130.db2.gz XEOVQTXBHBKILK-VIFPVBQESA-N 1 0 312.713 0.968 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000852919961 671195856 /nfs/dbraw/zinc/19/58/56/671195856.db2.gz GJULKBAOJYSLQZ-LLVKDONJSA-N 1 0 322.365 0.769 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000841146653 671914970 /nfs/dbraw/zinc/91/49/70/671914970.db2.gz SDSLZLZVSNZJLF-UHFFFAOYSA-N 1 0 310.285 0.413 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841174609 671918332 /nfs/dbraw/zinc/91/83/32/671918332.db2.gz YKSZFKQMPSINBU-ZETCQYMHSA-N 1 0 314.729 0.992 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000843064080 672057622 /nfs/dbraw/zinc/05/76/22/672057622.db2.gz DUTMCEIXLMVAAC-RISCZKNCSA-N 1 0 324.312 0.615 20 5 DCBDRO Cc1ccncc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138838 693709761 /nfs/dbraw/zinc/70/97/61/693709761.db2.gz DCOVRJTYCJOLFY-AAVRWANBSA-N 1 0 304.350 0.792 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccncc1 ZINC001691242396 1157618772 /nfs/dbraw/zinc/61/87/72/1157618772.db2.gz JLZPUKKNAKDPPJ-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(CC[NH+]2CCCC2)CC1 ZINC001540440427 1159798902 /nfs/dbraw/zinc/79/89/02/1159798902.db2.gz HNLKYUITEPXXHW-UHFFFAOYSA-N 1 0 322.369 0.172 20 5 DCBDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001567471107 1160378660 /nfs/dbraw/zinc/37/86/60/1160378660.db2.gz PATKCLVBKYHQEA-ZETCQYMHSA-N 1 0 301.734 0.995 20 5 DCBDRO NC(=O)CC(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001568829254 1160794947 /nfs/dbraw/zinc/79/49/47/1160794947.db2.gz QBTANEVSODJSRT-ARJAWSKDSA-N 1 0 306.322 0.232 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001574300878 1163691451 /nfs/dbraw/zinc/69/14/51/1163691451.db2.gz ZIQFYNOBIHGRBP-UHFFFAOYSA-N 1 0 315.333 0.987 20 5 DCBDRO CCc1n[nH]c(C(=O)N2CC[NH2+]C[C@@H]2CCOC)c1[N+](=O)[O-] ZINC001578243658 1164962918 /nfs/dbraw/zinc/96/29/18/1164962918.db2.gz UPGRFZZBBOZIMM-VIFPVBQESA-N 1 0 311.342 0.331 20 5 DCBDRO COC(=O)/C=C/c1ccc(NC[C@]2(O)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001578795623 1165114578 /nfs/dbraw/zinc/11/45/78/1165114578.db2.gz AYGPWFVEZRFKRM-UJAVWCLSSA-N 1 0 321.333 0.917 20 5 DCBDRO CO[C@@]1(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCOC1 ZINC001578926060 1165161150 /nfs/dbraw/zinc/16/11/50/1165161150.db2.gz AVZAYFGNLNILKM-LSDHHAIUSA-N 1 0 323.349 0.690 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H]1CC[NH2+]1 ZINC001579181050 1165232166 /nfs/dbraw/zinc/23/21/66/1165232166.db2.gz VDBULMTXPZRQDF-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO COc1ccc(OS(=O)(=O)CC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC001579234596 1165245933 /nfs/dbraw/zinc/24/59/33/1165245933.db2.gz NQRDKXBFRFGJAU-UHFFFAOYSA-N 1 0 302.308 0.531 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCNC(=O)CC12C[NH2+]C2 ZINC001579734730 1165383773 /nfs/dbraw/zinc/38/37/73/1165383773.db2.gz YLBTWFRHNCOWFO-UHFFFAOYSA-N 1 0 318.333 0.207 20 5 DCBDRO [NH3+]C1CCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC001580189435 1165531827 /nfs/dbraw/zinc/53/18/27/1165531827.db2.gz BXLMBDHEIILCSD-UHFFFAOYSA-N 1 0 321.381 0.546 20 5 DCBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001580766690 1165714383 /nfs/dbraw/zinc/71/43/83/1165714383.db2.gz KJKXYCBYGQDMCW-SECBINFHSA-N 1 0 310.285 0.986 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC([NH2+]C3CCOCC3)C2)n1 ZINC001596117549 1167986912 /nfs/dbraw/zinc/98/69/12/1167986912.db2.gz ODAAVSSAVTVSJL-UHFFFAOYSA-N 1 0 320.349 0.891 20 5 DCBDRO CNC(=O)C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001620587062 1171403406 /nfs/dbraw/zinc/40/34/06/1171403406.db2.gz QWYZMNSZKCCTSV-ZDUSSCGKSA-N 1 0 323.349 0.513 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001627864872 1171513043 /nfs/dbraw/zinc/51/30/43/1171513043.db2.gz BHLYMQYWAOIBPS-NSHDSACASA-N 1 0 322.365 0.754 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)n1 ZINC001635226091 1171695809 /nfs/dbraw/zinc/69/58/09/1171695809.db2.gz VKWCKWIFSYXEQL-LBPRGKRZSA-N 1 0 322.365 0.875 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001639364641 1171833102 /nfs/dbraw/zinc/83/31/02/1171833102.db2.gz DKAMAYWZSIRCGY-SECBINFHSA-N 1 0 306.322 0.380 20 5 DCBDRO C[C@@]1(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001640233845 1171871841 /nfs/dbraw/zinc/87/18/41/1171871841.db2.gz OUEZAFAGFORZRW-CQSZACIVSA-N 1 0 306.322 0.910 20 5 DCBDRO NC(=O)c1ccnc(NC[C@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC001642713786 1171953351 /nfs/dbraw/zinc/95/33/51/1171953351.db2.gz YTUNQGQJWPDNJK-SNVBAGLBSA-N 1 0 323.353 0.347 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC001644123686 1171997620 /nfs/dbraw/zinc/99/76/20/1171997620.db2.gz LZNULKBPKJMMLH-CQSZACIVSA-N 1 0 308.338 0.316 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001644123639 1171997720 /nfs/dbraw/zinc/99/77/20/1171997720.db2.gz KMFKZFQHDSWAFN-HIFRSBDPSA-N 1 0 323.349 0.153 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC001644751205 1172020324 /nfs/dbraw/zinc/02/03/24/1172020324.db2.gz OKEGEVUDPZAOOL-UHFFFAOYSA-N 1 0 306.322 0.730 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001646289137 1172323389 /nfs/dbraw/zinc/32/33/89/1172323389.db2.gz RNPJZTCCIJPEEG-GFCCVEGCSA-N 1 0 320.349 0.215 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001651926228 1173758191 /nfs/dbraw/zinc/75/81/91/1173758191.db2.gz GTHTWEJKKYQZJZ-UHFFFAOYSA-N 1 0 315.301 0.153 20 5 DCBDRO CN(C)c1cc[nH+]c(CNC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC001652009241 1173760270 /nfs/dbraw/zinc/76/02/70/1173760270.db2.gz CGPBOKWMBBHQNJ-UHFFFAOYSA-N 1 0 316.321 0.963 20 5 DCBDRO CCO[C@@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C[NH+](C)C ZINC001652209994 1173764867 /nfs/dbraw/zinc/76/48/67/1173764867.db2.gz ZHGKLGZDTFBFOZ-JTQLQIEISA-N 1 0 311.342 0.467 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001653845579 1173795136 /nfs/dbraw/zinc/79/51/36/1173795136.db2.gz VTVJMKALWWBARG-FZMZJTMJSA-N 1 0 323.349 0.517 20 5 DCBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654291697 1173803146 /nfs/dbraw/zinc/80/31/46/1173803146.db2.gz ZPRQWNUGSMGGDE-UKRRQHHQSA-N 1 0 323.349 0.741 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC001654610999 1173808138 /nfs/dbraw/zinc/80/81/38/1173808138.db2.gz RVEFOXSLCCHJJE-NWDGAFQWSA-N 1 0 306.326 0.473 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCc2cnc(N)nc2C1 ZINC001655086580 1173815288 /nfs/dbraw/zinc/81/52/88/1173815288.db2.gz MIOPZEWPZWTOEW-UHFFFAOYSA-N 1 0 303.326 0.530 20 5 DCBDRO CC[NH+](CC)CC(=O)N1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001655107087 1173815560 /nfs/dbraw/zinc/81/55/60/1173815560.db2.gz MEEWIIOWHJJERD-UHFFFAOYSA-N 1 0 324.385 0.319 20 5 DCBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC001655427403 1173819571 /nfs/dbraw/zinc/81/95/71/1173819571.db2.gz LUJOMWXTZWTIGQ-XBFCOCLRSA-N 1 0 312.370 0.947 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CSCC[NH2+]2)n1 ZINC001655812656 1173828115 /nfs/dbraw/zinc/82/81/15/1173828115.db2.gz WYJLTGZCZMCGAB-QMMMGPOBSA-N 1 0 312.351 0.893 20 5 DCBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCN3CC[C@H](O)C3)nc2c1 ZINC001658664814 1173924960 /nfs/dbraw/zinc/92/49/60/1173924960.db2.gz MLITVBJIYRXECG-NSHDSACASA-N 1 0 306.322 0.892 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001685506128 1176035434 /nfs/dbraw/zinc/03/54/34/1176035434.db2.gz SODLVJZHDITZOQ-CYZMBNFOSA-N 1 0 322.369 0.431 20 5 DCBDRO Cc1ncsc1CC[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699257359 1177996746 /nfs/dbraw/zinc/99/67/46/1177996746.db2.gz NXPQWUVJOSAQLJ-JDEDCZITSA-N 1 0 324.406 0.921 20 5 DCBDRO CN(CCC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699506353 1178170120 /nfs/dbraw/zinc/17/01/20/1178170120.db2.gz JHPVWHLGNWZKLK-GHMZBOCLSA-N 1 0 314.386 0.004 20 5 DCBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C(F)F ZINC001715711244 1181952541 /nfs/dbraw/zinc/95/25/41/1181952541.db2.gz IOZIPADGFWQJNA-UHFFFAOYSA-N 1 0 305.285 0.532 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CNC1(CNC(=O)CC[NH+](C)C)CC1 ZINC001723554362 1184326796 /nfs/dbraw/zinc/32/67/96/1184326796.db2.gz QRZFCNSIORBKMH-UHFFFAOYSA-N 1 0 324.385 0.018 20 5 DCBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC(N)=O ZINC001731900487 1185558849 /nfs/dbraw/zinc/55/88/49/1185558849.db2.gz ZTORBUGZDKMLFL-UHFFFAOYSA-N 1 0 300.340 0.080 20 5 DCBDRO Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cn1 ZINC001732392955 1185797916 /nfs/dbraw/zinc/79/79/16/1185797916.db2.gz WYDUJWZMMRWXFS-CHWSQXEVSA-N 1 0 321.381 0.604 20 5 DCBDRO CN(CCC[N@H+](C)Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733773056 1186441968 /nfs/dbraw/zinc/44/19/68/1186441968.db2.gz RVRSJVMJZLUPOS-CHWSQXEVSA-N 1 0 309.370 0.366 20 5 DCBDRO O=[N+]([O-])c1ccc2ncc(N3CCN4CC[NH2+]C[C@H]4C3)nc2c1 ZINC001164391037 718830125 /nfs/dbraw/zinc/83/01/25/718830125.db2.gz IDILBJGXUJDEJT-LBPRGKRZSA-N 1 0 314.349 0.632 20 5 DCBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001576909115 1164525817 /nfs/dbraw/zinc/52/58/17/1164525817.db2.gz PIDFDSDVECXZKG-PHDIDXHHSA-N 1 0 317.733 0.814 20 5 DCBDRO [NH3+][C@H]1CN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)C[C@H]1O ZINC001167093282 746971363 /nfs/dbraw/zinc/97/13/63/746971363.db2.gz RVIVUKXUWHBCNQ-WCQYABFASA-N 1 0 301.306 0.560 20 5 DCBDRO CCNC(=O)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126002237 748181517 /nfs/dbraw/zinc/18/15/17/748181517.db2.gz GLZYSCLRAWRQHE-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO Cn1nncc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126524707 748935069 /nfs/dbraw/zinc/93/50/69/748935069.db2.gz RWSJLNLQCACZRU-UHFFFAOYSA-N 1 0 304.310 0.243 20 5 DCBDRO O=c1ccc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c[nH]1 ZINC001168299780 749901155 /nfs/dbraw/zinc/90/11/55/749901155.db2.gz KHMOQWQSHKVCNB-UHFFFAOYSA-N 1 0 302.294 0.784 20 5 DCBDRO COc1ccc(F)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943528 750154932 /nfs/dbraw/zinc/15/49/32/750154932.db2.gz PYVMFOVKKWETJV-VXGBXAGGSA-N 1 0 311.313 0.705 20 5 DCBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccccc1F ZINC001126943547 750157193 /nfs/dbraw/zinc/15/71/93/750157193.db2.gz QNXASPUTZNXJMD-BXKDBHETSA-N 1 0 324.312 0.135 20 5 DCBDRO COc1ccc(C[C@H](C)NS(=O)(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC001170296969 762594921 /nfs/dbraw/zinc/59/49/21/762594921.db2.gz IVSDPPWCYBIFNN-VIFPVBQESA-N 1 0 317.367 0.413 20 5 DCBDRO Cn1cncc1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001147900676 767879996 /nfs/dbraw/zinc/87/99/96/767879996.db2.gz UFMVEGSBOBQLRO-UHFFFAOYSA-N 1 0 323.378 0.838 20 5 DCBDRO CN(c1cnc2cc([N+](=O)[O-])ccc2n1)S(=O)(=O)CC[NH3+] ZINC001156232546 760490641 /nfs/dbraw/zinc/49/06/41/760490641.db2.gz XMKZRUAOWCPDSH-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO Nc1ccnc(-n2nnc(-c3cccc(C[NH3+])c3)n2)c1[N+](=O)[O-] ZINC001168879610 760495646 /nfs/dbraw/zinc/49/56/46/760495646.db2.gz NUGLGTVYUHKYGZ-UHFFFAOYSA-N 1 0 312.293 0.673 20 5 DCBDRO COC(=O)CC(CC(=O)OC)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168983727 760531159 /nfs/dbraw/zinc/53/11/59/760531159.db2.gz KWBKEOOCDYAZAX-ZJUUUORDSA-N 1 0 302.327 0.516 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCN2CCS(=O)(=O)CC2)C1 ZINC001168984741 760531385 /nfs/dbraw/zinc/53/13/85/760531385.db2.gz AAQDAOIFBLZDDD-QWHCGFSZSA-N 1 0 319.427 0.142 20 5 DCBDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169025862 760561130 /nfs/dbraw/zinc/56/11/30/760561130.db2.gz ZJJQUGLFTNSMKC-RMRHIDDWSA-N 1 0 311.382 0.659 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001123940947 768084501 /nfs/dbraw/zinc/08/45/01/768084501.db2.gz UMGNVJAEMFRHFJ-UHFFFAOYSA-N 1 0 307.354 0.934 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NCCN(C)CC[NH3+] ZINC001170502471 763383922 /nfs/dbraw/zinc/38/39/22/763383922.db2.gz YETCQGXUJLGRGX-UHFFFAOYSA-N 1 0 311.342 0.387 20 5 DCBDRO O=C(CCc1cn[nH]n1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134013678 765299489 /nfs/dbraw/zinc/29/94/89/765299489.db2.gz ADSZXCCILKSQJE-UHFFFAOYSA-N 1 0 318.337 0.552 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N(C)C(C)(C)C[NH3+])c1[N+](=O)[O-] ZINC001159054269 765327892 /nfs/dbraw/zinc/32/78/92/765327892.db2.gz KDQUDDWQNNEENF-UHFFFAOYSA-N 1 0 317.733 0.998 20 5 DCBDRO CN(C)C(=O)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134939247 765737672 /nfs/dbraw/zinc/73/76/72/765737672.db2.gz SKJNBPYZZKGQNF-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO NC(=O)COC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001116218862 765851118 /nfs/dbraw/zinc/85/11/18/765851118.db2.gz QQAIVVQVCJCCHV-UHFFFAOYSA-N 1 0 323.349 0.940 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC001116854455 765919399 /nfs/dbraw/zinc/91/93/99/765919399.db2.gz GIPVJBDOWFQRSJ-UHFFFAOYSA-N 1 0 322.340 0.806 20 5 DCBDRO [NH3+][C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001118548210 766355490 /nfs/dbraw/zinc/35/54/90/766355490.db2.gz ILOQQZONSOTAPU-VXGBXAGGSA-N 1 0 324.312 0.109 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncnc(Cl)c1[N+](=O)[O-] ZINC001170989047 766365704 /nfs/dbraw/zinc/36/57/04/766365704.db2.gz JFOQXCLXCXQVGS-UHFFFAOYSA-N 1 0 303.706 0.366 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cccc2ncc([N+](=O)[O-])n21 ZINC001170996422 766390310 /nfs/dbraw/zinc/39/03/10/766390310.db2.gz RFVWDEGNAUFFJU-UHFFFAOYSA-N 1 0 307.310 0.571 20 5 DCBDRO C[C@@H]([NH3+])CONC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001122023753 767699166 /nfs/dbraw/zinc/69/91/66/767699166.db2.gz SLBMOGXBKAAAFH-MRVPVSSYSA-N 1 0 306.282 0.184 20 5 DCBDRO O=C(NCCNc1ncccc1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001093768827 768718896 /nfs/dbraw/zinc/71/88/96/768718896.db2.gz LGHPJQOQIVNZJY-UHFFFAOYSA-N 1 0 305.338 0.614 20 5 DCBDRO COc1ccc(C(N)=O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001231286211 769217656 /nfs/dbraw/zinc/21/76/56/769217656.db2.gz JIXCLPBAHUMJNF-SNVBAGLBSA-O 1 0 311.358 0.157 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(S(C)(=O)=O)c1 ZINC001234541440 769685422 /nfs/dbraw/zinc/68/54/22/769685422.db2.gz CWPQCCDAHICIBG-LLVKDONJSA-N 1 0 316.399 0.453 20 5 DCBDRO NC(=O)[C@H](C1CC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC001175503312 769914208 /nfs/dbraw/zinc/91/42/08/769914208.db2.gz KSURLVHBQVLOKB-ZDUSSCGKSA-N 1 0 307.354 0.767 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001155158989 770417753 /nfs/dbraw/zinc/41/77/53/770417753.db2.gz GYGUBVBWYVKCEN-LBPRGKRZSA-N 1 0 324.337 0.253 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001155158987 770418140 /nfs/dbraw/zinc/41/81/40/770418140.db2.gz GYGUBVBWYVKCEN-GFCCVEGCSA-N 1 0 324.337 0.253 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001155397335 770491399 /nfs/dbraw/zinc/49/13/99/770491399.db2.gz HUSBDBYQLDWTND-UHFFFAOYSA-N 1 0 304.314 0.269 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1 ZINC001155483203 770519419 /nfs/dbraw/zinc/51/94/19/770519419.db2.gz JVVJRJLINLLFSF-SZEHBUNVSA-N 1 0 314.729 0.528 20 5 DCBDRO COc1cc(C)nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155571369 770548909 /nfs/dbraw/zinc/54/89/09/770548909.db2.gz SEIDYHUAMMUDOH-TVQRCGJNSA-N 1 0 307.310 0.297 20 5 DCBDRO COc1nc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155592121 770558232 /nfs/dbraw/zinc/55/82/32/770558232.db2.gz MCKONPRYWYKDID-YGRLFVJLSA-N 1 0 323.353 0.964 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N(c1ncccn1)C1C[NH2+]C1 ZINC001155871944 770645022 /nfs/dbraw/zinc/64/50/22/770645022.db2.gz TZIUPUYGOVDROA-UHFFFAOYSA-N 1 0 302.294 0.437 20 5 DCBDRO CN(c1ccc2ccc([N+](=O)[O-])cc2n1)S(=O)(=O)CC[NH3+] ZINC001156236083 770759167 /nfs/dbraw/zinc/75/91/67/770759167.db2.gz DUCLWHWAFKOIHW-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO Cn1ncc(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC001181946996 771374150 /nfs/dbraw/zinc/37/41/50/771374150.db2.gz WEIRJFBLMIGSLN-UHFFFAOYSA-N 1 0 305.342 0.846 20 5 DCBDRO Cc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C1CC1 ZINC001157760276 771664411 /nfs/dbraw/zinc/66/44/11/771664411.db2.gz ADDCLLCDRMJJME-VXGBXAGGSA-N 1 0 322.369 0.183 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccc2c(c1)COC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761379 771665444 /nfs/dbraw/zinc/66/54/44/771665444.db2.gz PWLZRKXDIPDCAC-HUUCEWRRSA-N 1 0 319.361 0.978 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC(=N)N2CC[NH+](C)CC2)n1 ZINC001157914909 771692108 /nfs/dbraw/zinc/69/21/08/771692108.db2.gz OVJQDORMIQWXMR-UHFFFAOYSA-N 1 0 313.749 0.941 20 5 DCBDRO [NH3+]Cc1nnnn1-c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001158080471 771722828 /nfs/dbraw/zinc/72/28/28/771722828.db2.gz OCNXQFCUFYWHNU-UHFFFAOYSA-N 1 0 306.673 0.626 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158184239 771735531 /nfs/dbraw/zinc/73/55/31/771735531.db2.gz CKCDDZJJDXPECU-OCAPTIKFSA-N 1 0 308.342 0.838 20 5 DCBDRO CCc1n[nH]c(C(=O)NC[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001158261048 771749061 /nfs/dbraw/zinc/74/90/61/771749061.db2.gz IAANBPZIDLFFEB-JTQLQIEISA-N 1 0 307.354 0.952 20 5 DCBDRO Nc1nc(N2CCO[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001158309297 771756679 /nfs/dbraw/zinc/75/66/79/771756679.db2.gz HBMINUGNMBRAAR-NSHDSACASA-N 1 0 307.354 0.873 20 5 DCBDRO [NH3+][C@@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC12COC2 ZINC001158763092 771818776 /nfs/dbraw/zinc/81/87/76/771818776.db2.gz FQGWUNDXDKFZIY-GFCCVEGCSA-N 1 0 301.306 0.702 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[NH2+]C3(CC3)C2)n1 ZINC001158944285 771836868 /nfs/dbraw/zinc/83/68/68/771836868.db2.gz KXVJLBKIQWHVGG-UHFFFAOYSA-N 1 0 306.326 0.594 20 5 DCBDRO CNC(=O)NCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001159334698 771898274 /nfs/dbraw/zinc/89/82/74/771898274.db2.gz FSGGKPRNBUWCMJ-UHFFFAOYSA-N 1 0 323.353 0.120 20 5 DCBDRO [NH3+]CCOCCOCCNc1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001159445264 771911434 /nfs/dbraw/zinc/91/14/34/771911434.db2.gz IHMQGQQGQVBXJR-UHFFFAOYSA-N 1 0 309.326 0.875 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])c(OC)n1 ZINC001159750796 771951927 /nfs/dbraw/zinc/95/19/27/771951927.db2.gz RRJDMNDXNKPIHK-RKDXNWHRSA-N 1 0 310.310 0.561 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001159861133 771969747 /nfs/dbraw/zinc/96/97/47/771969747.db2.gz OPRPQQLJAWSAIU-UHFFFAOYSA-N 1 0 302.718 0.971 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCC(F)F ZINC001162636739 772401511 /nfs/dbraw/zinc/40/15/11/772401511.db2.gz LVYOVTIRKZVYSD-UHFFFAOYSA-N 1 0 319.312 0.970 20 5 DCBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC001162725085 772411942 /nfs/dbraw/zinc/41/19/42/772411942.db2.gz IZMOZZXWGLHUJX-LLVKDONJSA-N 1 0 311.342 0.928 20 5 DCBDRO O=[N+]([O-])c1c(Cl)ncnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163010701 772442708 /nfs/dbraw/zinc/44/27/08/772442708.db2.gz BCOWDQHSJYFMSN-UHFFFAOYSA-N 1 0 324.732 0.735 20 5 DCBDRO Cc1cnc(NCc2nnc3n2CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163017468 772444863 /nfs/dbraw/zinc/44/48/63/772444863.db2.gz GNHBEPMRANPBCE-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO NC1=CC=C(C2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)[NH2+]C1 ZINC001163128864 772468829 /nfs/dbraw/zinc/46/88/29/772468829.db2.gz CZVODHAQGJMGNZ-UHFFFAOYSA-N 1 0 317.349 0.774 20 5 DCBDRO COc1nc(C)nc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163162830 772474811 /nfs/dbraw/zinc/47/48/11/772474811.db2.gz FDFAKNRPNDXIIY-GMTAPVOTSA-N 1 0 323.353 0.738 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncc3cccc([N+](=O)[O-])c3n2)N1 ZINC001163243237 772489597 /nfs/dbraw/zinc/48/95/97/772489597.db2.gz RVUYYQHPQHZZDM-YGRLFVJLSA-N 1 0 314.305 0.528 20 5 DCBDRO Cc1c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163250629 772491515 /nfs/dbraw/zinc/49/15/15/772491515.db2.gz OVSWSCMUJFDRLS-GWCFXTLKSA-N 1 0 321.293 0.801 20 5 DCBDRO Cc1c[n+]([O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163308404 772504081 /nfs/dbraw/zinc/50/40/81/772504081.db2.gz DFJOJFUVEASNON-RISCZKNCSA-N 1 0 308.338 0.860 20 5 DCBDRO CC(C)(O)[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001190331350 772618672 /nfs/dbraw/zinc/61/86/72/772618672.db2.gz FOSSABFGQLCIAD-AWEZNQCLSA-N 1 0 309.366 0.849 20 5 DCBDRO C[C@@H]1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[C@H]1O ZINC001164271834 772634496 /nfs/dbraw/zinc/63/44/96/772634496.db2.gz KGSXGCWDWAJDDE-GHMZBOCLSA-N 1 0 322.369 0.002 20 5 DCBDRO Cc1c(N(C)S(=O)(=O)CC[NH3+])ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001164297101 772640711 /nfs/dbraw/zinc/64/07/11/772640711.db2.gz UWRVUZCCGMOYFF-UHFFFAOYSA-N 1 0 318.311 0.536 20 5 DCBDRO [NH3+][C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]1O ZINC001165151691 772701695 /nfs/dbraw/zinc/70/16/95/772701695.db2.gz XDYFXIKOLZCAPG-YUMQZZPRSA-N 1 0 308.672 0.696 20 5 DCBDRO CN(c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)[C@H]1CC[C@H](O)CC1 ZINC001165226325 772707084 /nfs/dbraw/zinc/70/70/84/772707084.db2.gz GNVDUGNQPSOHTI-XYPYZODXSA-N 1 0 307.354 0.811 20 5 DCBDRO O=C1CN(c2ncc([N+](=O)[O-])cc2F)CC2(CC[NH2+]CC2)N1 ZINC001165253134 772711500 /nfs/dbraw/zinc/71/15/00/772711500.db2.gz UGXUVGYNMHZOER-UHFFFAOYSA-N 1 0 309.301 0.187 20 5 DCBDRO COc1nc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165287485 772718404 /nfs/dbraw/zinc/71/84/04/772718404.db2.gz ZVLUIJXQWBGGMQ-MWLCHTKSSA-N 1 0 309.326 0.208 20 5 DCBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncc([N+](=O)[O-])cc1F ZINC001165405425 772733606 /nfs/dbraw/zinc/73/36/06/772733606.db2.gz NXBNYSVTIKAVRY-KPXOXKRLSA-N 1 0 324.312 0.859 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001165437957 772737167 /nfs/dbraw/zinc/73/71/67/772737167.db2.gz WJDBTCHXOWPDSN-SECBINFHSA-N 1 0 300.702 0.594 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH3+])C(F)(F)C2)n1 ZINC001166961723 772890077 /nfs/dbraw/zinc/89/00/77/772890077.db2.gz QYMFGZBBDOKSAJ-SSDOTTSWSA-N 1 0 303.269 0.875 20 5 DCBDRO C[C@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[C@H](C)O1 ZINC001166968414 772892859 /nfs/dbraw/zinc/89/28/59/772892859.db2.gz JEAGKHBCUIZPGW-QWRGUYRKSA-N 1 0 322.369 0.408 20 5 DCBDRO C[C@@H]1C[N@H+](CCO)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001195094136 773325015 /nfs/dbraw/zinc/32/50/15/773325015.db2.gz MXHPGRZPMIDYBN-DOMZBBRYSA-N 1 0 309.366 0.627 20 5 DCBDRO CC[N@H+](C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001214102562 773926118 /nfs/dbraw/zinc/92/61/18/773926118.db2.gz DNNCROPRQOQQEK-LLVKDONJSA-N 1 0 314.367 0.705 20 5 DCBDRO CC(C)N1C(=S)N=NC1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227227874 775946952 /nfs/dbraw/zinc/94/69/52/775946952.db2.gz NCVGUTQLQLLGBJ-SECBINFHSA-O 1 0 303.408 0.510 20 5 DCBDRO CSc1nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(=O)[nH]1 ZINC001228089588 776047256 /nfs/dbraw/zinc/04/72/56/776047256.db2.gz FXZUJFBNQDRPBA-MRVPVSSYSA-O 1 0 302.376 0.267 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317109059 944799519 /nfs/dbraw/zinc/79/95/19/944799519.db2.gz GETZUGUCENHMSU-XJFOESAGSA-N 1 0 311.382 0.705 20 5 DCBDRO CC[NH+](CC)C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001318620992 945415133 /nfs/dbraw/zinc/41/51/33/945415133.db2.gz QNTBDBDJLAPARI-UHFFFAOYSA-N 1 0 310.358 0.519 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254544711 946407969 /nfs/dbraw/zinc/40/79/69/946407969.db2.gz KFQLSVVHOTUTIC-QWRGUYRKSA-N 1 0 323.349 0.793 20 5 DCBDRO CN(CCC[NH+](C)C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001256992789 946682731 /nfs/dbraw/zinc/68/27/31/946682731.db2.gz FEZPUZKGKYWJIU-UHFFFAOYSA-N 1 0 322.365 0.621 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC001262568059 947728478 /nfs/dbraw/zinc/72/84/78/947728478.db2.gz KTNXHIMGAUFWIG-RBSFLKMASA-N 1 0 323.397 0.759 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001263261221 947827564 /nfs/dbraw/zinc/82/75/64/947827564.db2.gz XMVAHGRIOPUOIU-GFCCVEGCSA-N 1 0 323.349 0.811 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001325610490 947854542 /nfs/dbraw/zinc/85/45/42/947854542.db2.gz KUIWHFSROVCZJC-ADEWGFFLSA-N 1 0 323.353 0.642 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CCn3c(nnc3C(F)F)C2)n1 ZINC001326433824 948160678 /nfs/dbraw/zinc/16/06/78/948160678.db2.gz GRHSFCLIDVESLZ-UHFFFAOYSA-N 1 0 313.268 0.836 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001328432097 948892034 /nfs/dbraw/zinc/89/20/34/948892034.db2.gz MWTXVSRXGNMBFD-CYBMUJFWSA-N 1 0 320.349 0.661 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001329445991 949598338 /nfs/dbraw/zinc/59/83/38/949598338.db2.gz FDQBDYNZWHOWSX-QWRGUYRKSA-N 1 0 322.365 0.886 20 5 DCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001329491520 949636698 /nfs/dbraw/zinc/63/66/98/949636698.db2.gz UCFSEZPPZHACBA-WDEREUQCSA-N 1 0 308.338 0.390 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001329823811 949900659 /nfs/dbraw/zinc/90/06/59/949900659.db2.gz ONXDVHLWRNATAW-UWVGGRQHSA-N 1 0 308.338 0.496 20 5 DCBDRO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001330086569 950112179 /nfs/dbraw/zinc/11/21/79/950112179.db2.gz XROGOFWXVABUFS-VHRBIJSZSA-N 1 0 317.349 0.246 20 5 DCBDRO O=C(NC1CC1)[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001330694564 950592027 /nfs/dbraw/zinc/59/20/27/950592027.db2.gz JZZURDBXJAFXQT-NSHDSACASA-N 1 0 307.354 0.782 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331772717 951305152 /nfs/dbraw/zinc/30/51/52/951305152.db2.gz AFNPKGDIOFXBCX-JTQLQIEISA-N 1 0 320.349 0.285 20 5 DCBDRO O=C(C[C@H]1C[NH2+]CCO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001332156791 951500666 /nfs/dbraw/zinc/50/06/66/951500666.db2.gz NSIAELJONDRXSL-LBPRGKRZSA-N 1 0 323.353 0.333 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001333770322 952150315 /nfs/dbraw/zinc/15/03/15/952150315.db2.gz FMTVAPBLURHUOE-AWEZNQCLSA-N 1 0 307.354 0.784 20 5 DCBDRO CN(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485168 952543645 /nfs/dbraw/zinc/54/36/45/952543645.db2.gz KVYIAANPIXSRJU-HZSPNIEDSA-N 1 0 323.397 0.615 20 5 DCBDRO COc1cccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC001338419485 953008961 /nfs/dbraw/zinc/00/89/61/953008961.db2.gz SGFSUOYTKVPPJR-ZDUSSCGKSA-N 1 0 321.337 0.388 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)CC1 ZINC001339549354 953102101 /nfs/dbraw/zinc/10/21/01/953102101.db2.gz RGKVGEAJJCGKOO-UHFFFAOYSA-N 1 0 319.365 0.249 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC001343468740 953347599 /nfs/dbraw/zinc/34/75/99/953347599.db2.gz UPHVMWNQDIZPFF-GFCCVEGCSA-N 1 0 311.313 0.853 20 5 DCBDRO Cn1c(-c2n[nH]cc2[N+](=O)[O-])nnc1N1CC[NH+](C2CC2)CC1 ZINC001343632544 953359328 /nfs/dbraw/zinc/35/93/28/953359328.db2.gz SSRQJZMKKYBPFO-UHFFFAOYSA-N 1 0 318.341 0.398 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001353286901 956006433 /nfs/dbraw/zinc/00/64/33/956006433.db2.gz YWADLRCOPRGMSX-CYZMBNFOSA-N 1 0 321.381 0.983 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@H]([NH2+]CCO)C1 ZINC001354437871 956392087 /nfs/dbraw/zinc/39/20/87/956392087.db2.gz UOQLIQLCVJWSHG-JTQLQIEISA-N 1 0 311.313 0.920 20 5 DCBDRO C[C@H]1CN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001356582872 956900288 /nfs/dbraw/zinc/90/02/88/956900288.db2.gz HHVTUAKVBGGSEY-SWLSCSKDSA-N 1 0 309.366 0.939 20 5 DCBDRO C[C@@H]1CN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001356582869 956901169 /nfs/dbraw/zinc/90/11/69/956901169.db2.gz HHVTUAKVBGGSEY-DOMZBBRYSA-N 1 0 309.366 0.939 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357740626 957372062 /nfs/dbraw/zinc/37/20/62/957372062.db2.gz DYAAIKZEBZUNAD-NSHDSACASA-N 1 0 322.365 0.822 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[N@H+](C)CCN1C ZINC001293745157 957422130 /nfs/dbraw/zinc/42/21/30/957422130.db2.gz OOIPAQFDJVBBHJ-GWCFXTLKSA-N 1 0 321.381 0.541 20 5 DCBDRO Nc1ncc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC001299818458 958854857 /nfs/dbraw/zinc/85/48/57/958854857.db2.gz NRQBIMCLPOSJEX-PHIMTYICSA-N 1 0 305.338 0.929 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001466683536 1016100015 /nfs/dbraw/zinc/10/00/15/1016100015.db2.gz SYRPPYHBUTVZRY-HNNXBMFYSA-N 1 0 323.349 0.790 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC001468315818 1016242940 /nfs/dbraw/zinc/24/29/40/1016242940.db2.gz GWLNZSYATFNQED-JTQLQIEISA-N 1 0 311.342 0.203 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CCO)C2CCCC2)c1 ZINC001473830612 1016977660 /nfs/dbraw/zinc/97/76/60/1016977660.db2.gz CSAOKJDSZYDMFJ-KGLIPLIRSA-N 1 0 312.370 0.683 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001545709853 1005557671 /nfs/dbraw/zinc/55/76/71/1005557671.db2.gz MNKCMHGGRSJIEQ-WPRPVWTQSA-N 1 0 305.338 0.927 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001476862685 1017227752 /nfs/dbraw/zinc/22/77/52/1017227752.db2.gz DVACREGIOBSYLY-UHFFFAOYSA-N 1 0 322.369 0.546 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001453734466 1008692414 /nfs/dbraw/zinc/69/24/14/1008692414.db2.gz LZSCNVAOEAAQKT-GFCCVEGCSA-N 1 0 308.338 0.594 20 5 DCBDRO CCO[C@@H](CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-])C[NH+](C)C ZINC001455560109 1009816741 /nfs/dbraw/zinc/81/67/41/1009816741.db2.gz HOJKSWIIZXMBLH-VIFPVBQESA-N 1 0 313.358 0.577 20 5 DCBDRO Nc1c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc(F)cc1[N+](=O)[O-] ZINC001456298590 1010177433 /nfs/dbraw/zinc/17/74/33/1010177433.db2.gz ONJYCLKWMXYIQP-SECBINFHSA-N 1 0 324.312 0.519 20 5 DCBDRO Nc1nc(N2CC[NH2+][C@@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001559266264 1012413596 /nfs/dbraw/zinc/41/35/96/1012413596.db2.gz VBZYSFXVGVLWQT-LBPRGKRZSA-N 1 0 314.349 0.988 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)[C@@H]2C1 ZINC001559303950 1012418636 /nfs/dbraw/zinc/41/86/36/1012418636.db2.gz JQEXICGFRPOGHD-AXTRIDKLSA-N 1 0 305.338 0.841 20 5 DCBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@H](CCO)[C@H](CO)C2)cc1 ZINC001560230875 1012446369 /nfs/dbraw/zinc/44/63/69/1012446369.db2.gz ISJAAYASRHKUJM-STQMWFEESA-N 1 0 310.350 0.896 20 5 DCBDRO Cc1c(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC001461512935 1013026567 /nfs/dbraw/zinc/02/65/67/1013026567.db2.gz DXQZBQFQQZLZQZ-ZDUSSCGKSA-N 1 0 314.363 0.542 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000415548737 529730244 /nfs/dbraw/zinc/73/02/44/529730244.db2.gz FSFZKAJRNQEFFB-VIFPVBQESA-N 1 0 308.338 0.949 20 5 DCBDRO Cc1nn(CCC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c(C)c1[N+](=O)[O-] ZINC000368368518 282302744 /nfs/dbraw/zinc/30/27/44/282302744.db2.gz CJPQBGSOBXXMGN-QWRGUYRKSA-N 1 0 313.333 0.614 20 5 DCBDRO C[NH+](C)CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109151204 185554122 /nfs/dbraw/zinc/55/41/22/185554122.db2.gz SUCOOIDMKKVWHF-UHFFFAOYSA-N 1 0 318.337 0.857 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000071397541 190966387 /nfs/dbraw/zinc/96/63/87/190966387.db2.gz SSCIXBASSSFEGV-VIFPVBQESA-N 1 0 315.351 0.634 20 5 DCBDRO COc1cccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000323147347 291258374 /nfs/dbraw/zinc/25/83/74/291258374.db2.gz LYBNSVQRTCOJLL-CQSZACIVSA-N 1 0 320.349 0.993 20 5 DCBDRO CC(C)OC(=O)[C@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566112449 291271235 /nfs/dbraw/zinc/27/12/35/291271235.db2.gz OFYKIEHDYQDUMG-ZYHUDNBSSA-N 1 0 314.342 0.330 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000566455308 291303227 /nfs/dbraw/zinc/30/32/27/291303227.db2.gz MFKAXGYRXXAIRF-AWEZNQCLSA-N 1 0 308.338 0.120 20 5 DCBDRO Cc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000566491791 291307501 /nfs/dbraw/zinc/30/75/01/291307501.db2.gz ZCCCEACUDUYBIT-QWHCGFSZSA-N 1 0 304.350 0.647 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NC[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000419765317 239953460 /nfs/dbraw/zinc/95/34/60/239953460.db2.gz WYONGWXWVBNTNN-SECBINFHSA-N 1 0 308.338 0.230 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420025817 240009183 /nfs/dbraw/zinc/00/91/83/240009183.db2.gz ZGMKWCHQOIXMGJ-JTQLQIEISA-N 1 0 320.349 0.549 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000567861999 291385399 /nfs/dbraw/zinc/38/53/99/291385399.db2.gz BZBCKLIUWZWADM-ZJUUUORDSA-N 1 0 312.351 0.220 20 5 DCBDRO COc1ccc(CC(=O)N2CCC(O)(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000569482969 291481951 /nfs/dbraw/zinc/48/19/51/291481951.db2.gz CMRYWCOMGUIDCT-UHFFFAOYSA-N 1 0 323.349 0.458 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCn1ccnc1 ZINC000572631235 291580322 /nfs/dbraw/zinc/58/03/22/291580322.db2.gz BYIZGROJGXEZRU-LBPRGKRZSA-N 1 0 306.322 0.821 20 5 DCBDRO Cc1n[nH]c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000288574861 220252195 /nfs/dbraw/zinc/25/21/95/220252195.db2.gz RDHCIPWARDAENB-JTQLQIEISA-N 1 0 311.342 0.203 20 5 DCBDRO CSC1(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000574495110 291697808 /nfs/dbraw/zinc/69/78/08/291697808.db2.gz PXNCYJNCOMIIKX-UHFFFAOYSA-N 1 0 313.383 0.875 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000063703215 184286901 /nfs/dbraw/zinc/28/69/01/184286901.db2.gz KZZLTOCTFIBHBN-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCC[NH+]1CCCCCC1 ZINC000064693351 184302548 /nfs/dbraw/zinc/30/25/48/184302548.db2.gz JDMNMLHTTYCJFZ-UHFFFAOYSA-N 1 0 310.358 0.569 20 5 DCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000338959611 253015430 /nfs/dbraw/zinc/01/54/30/253015430.db2.gz FXVTUOLHHPDLMQ-JTQLQIEISA-N 1 0 324.337 0.505 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000347706632 254181193 /nfs/dbraw/zinc/18/11/93/254181193.db2.gz VVNKQBGROCZSOU-UHFFFAOYSA-N 1 0 310.354 0.774 20 5 DCBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000348188808 254225822 /nfs/dbraw/zinc/22/58/22/254225822.db2.gz VZSKCAKINHHDHF-NEPJUHHUSA-N 1 0 308.338 0.261 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000351748938 254365484 /nfs/dbraw/zinc/36/54/84/254365484.db2.gz KYGQMCILRQKQMD-UHFFFAOYSA-N 1 0 323.353 0.149 20 5 DCBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@@H]1CCNC1=O ZINC000340225298 131230270 /nfs/dbraw/zinc/23/02/70/131230270.db2.gz IXIJDRXWVOOTBU-JOYOIKCWSA-N 1 0 306.322 0.742 20 5 DCBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](CC3(CO)COC3)C2)nc1 ZINC000089128437 395708247 /nfs/dbraw/zinc/70/82/47/395708247.db2.gz UELONQSBWIALTA-NSHDSACASA-N 1 0 308.338 0.485 20 5 DCBDRO O=C1NC(=O)C2(CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)N1 ZINC000270553526 395782678 /nfs/dbraw/zinc/78/26/78/395782678.db2.gz VETNXKZZVJTKGV-UHFFFAOYSA-N 1 0 304.306 0.769 20 5 DCBDRO CS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000107571208 395785609 /nfs/dbraw/zinc/78/56/09/395785609.db2.gz ILUMNXVUONRMAD-AOOOYVTPSA-N 1 0 311.363 0.654 20 5 DCBDRO CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000270743205 395803370 /nfs/dbraw/zinc/80/33/70/395803370.db2.gz AMSLDXANUPJEQV-MNOVXSKESA-N 1 0 313.383 0.295 20 5 DCBDRO CC[N@H+](C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000115159631 395838441 /nfs/dbraw/zinc/83/84/41/395838441.db2.gz GTQSINGQSSFWQR-UHFFFAOYSA-N 1 0 308.338 0.393 20 5 DCBDRO COc1cc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237228132 395907865 /nfs/dbraw/zinc/90/78/65/395907865.db2.gz WDYUCGDUYOVTEL-SECBINFHSA-N 1 0 315.351 0.715 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000230053724 395877305 /nfs/dbraw/zinc/87/73/05/395877305.db2.gz XIDZRKYJAFIOPX-UHFFFAOYSA-N 1 0 315.351 0.763 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276475350 396000791 /nfs/dbraw/zinc/00/07/91/396000791.db2.gz FCKFEXOLEHCMAU-JTQLQIEISA-N 1 0 308.338 0.628 20 5 DCBDRO CN(CC(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000274794541 395977163 /nfs/dbraw/zinc/97/71/63/395977163.db2.gz NSNHZJYWTVDIEA-LLVKDONJSA-N 1 0 308.338 0.217 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000067511466 396027834 /nfs/dbraw/zinc/02/78/34/396027834.db2.gz ZYQUCNWLACZENI-AATRIKPKSA-N 1 0 318.377 0.972 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@](C)(C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000261726223 396060306 /nfs/dbraw/zinc/06/03/06/396060306.db2.gz CPNGHDVLUBHNES-CQSZACIVSA-N 1 0 309.370 0.996 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153134591 396021854 /nfs/dbraw/zinc/02/18/54/396021854.db2.gz CQZYWBGZKMRVMH-STQMWFEESA-N 1 0 306.322 0.213 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000163306600 396087022 /nfs/dbraw/zinc/08/70/22/396087022.db2.gz JFRFBWNOIGOXRO-MWLCHTKSSA-N 1 0 311.342 0.101 20 5 DCBDRO Cc1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000262041443 396093332 /nfs/dbraw/zinc/09/33/32/396093332.db2.gz BXMONSHDYGBJKM-ZDUSSCGKSA-N 1 0 308.338 0.941 20 5 DCBDRO CC(C)C[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075586608 396181652 /nfs/dbraw/zinc/18/16/52/396181652.db2.gz AULGLODJEXWWCR-CQSZACIVSA-N 1 0 311.386 0.426 20 5 DCBDRO Cc1c(C(=O)NCC[C@@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000178673910 396204109 /nfs/dbraw/zinc/20/41/09/396204109.db2.gz PQSUDAHUHUPEIU-SECBINFHSA-N 1 0 318.337 0.951 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000264432106 396279806 /nfs/dbraw/zinc/27/98/06/396279806.db2.gz AUAGKBNILLGOPV-LBPRGKRZSA-N 1 0 323.349 0.811 20 5 DCBDRO CCc1n[nH]c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264600582 396294208 /nfs/dbraw/zinc/29/42/08/396294208.db2.gz JVDOIZYWDVNXAJ-JTQLQIEISA-N 1 0 324.385 0.246 20 5 DCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286241971 396382822 /nfs/dbraw/zinc/38/28/22/396382822.db2.gz YYTSMEQHZZNOIC-SNVBAGLBSA-N 1 0 310.358 0.074 20 5 DCBDRO COc1ccc(CNC(=O)C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000269244046 396398939 /nfs/dbraw/zinc/39/89/39/396398939.db2.gz JQOVVMTVIMXFGZ-NSHDSACASA-N 1 0 309.322 0.598 20 5 DCBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269660999 396434047 /nfs/dbraw/zinc/43/40/47/396434047.db2.gz WKRZBQHOCPRIOZ-GFCCVEGCSA-N 1 0 322.365 0.747 20 5 DCBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000290999459 396477131 /nfs/dbraw/zinc/47/71/31/396477131.db2.gz TUYMMXJWTQSEIM-LBPRGKRZSA-N 1 0 324.381 0.993 20 5 DCBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000595122518 396553246 /nfs/dbraw/zinc/55/32/46/396553246.db2.gz VGPOSMJXOWGJKE-MRVPVSSYSA-N 1 0 303.340 0.490 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCCNc2ccccn2)c1 ZINC000581483790 396558443 /nfs/dbraw/zinc/55/84/43/396558443.db2.gz HETYKFNPHGLYOR-CYBMUJFWSA-N 1 0 320.353 0.639 20 5 DCBDRO Cn1c2cc([N+](=O)[O-])c(N3CC([NH+](C)C)C3)cc2n(C)c1=O ZINC000585707161 396650109 /nfs/dbraw/zinc/65/01/09/396650109.db2.gz MIAQUXJCCFDWBU-UHFFFAOYSA-N 1 0 305.338 0.535 20 5 DCBDRO CO[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000584716156 396617374 /nfs/dbraw/zinc/61/73/74/396617374.db2.gz FWXQNFGRGRINQE-OLZOCXBDSA-N 1 0 300.359 0.803 20 5 DCBDRO CCOCC[C@@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562425447 396663175 /nfs/dbraw/zinc/66/31/75/396663175.db2.gz ZKYAAIBWGBZFTK-CQSZACIVSA-N 1 0 324.381 0.899 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCn1cc([N+](=O)[O-])cn1 ZINC000374419446 396663313 /nfs/dbraw/zinc/66/33/13/396663313.db2.gz HKWXDSMMDZARBV-YUELXQCFSA-N 1 0 323.397 0.975 20 5 DCBDRO O=C(CCNC1(CO)CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595902271 396679718 /nfs/dbraw/zinc/67/97/18/396679718.db2.gz QJYDSHKXBYKRJP-UHFFFAOYSA-N 1 0 322.365 0.628 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000595930046 396684785 /nfs/dbraw/zinc/68/47/85/396684785.db2.gz MULMOEIWTWYEMX-NWDGAFQWSA-N 1 0 323.305 0.684 20 5 DCBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000595932631 396685651 /nfs/dbraw/zinc/68/56/51/396685651.db2.gz BLTVXZUHZNWDQQ-UHFFFAOYSA-N 1 0 318.337 0.985 20 5 DCBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+](C)C)c1 ZINC000588864349 396697266 /nfs/dbraw/zinc/69/72/66/396697266.db2.gz FNSUQISMRKWBDO-VIFPVBQESA-N 1 0 313.379 0.969 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000595984950 396703159 /nfs/dbraw/zinc/70/31/59/396703159.db2.gz YOXXEIFMKHCPJR-SECBINFHSA-N 1 0 322.321 0.044 20 5 DCBDRO Nc1ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)nc1[N+](=O)[O-] ZINC000596112290 396718321 /nfs/dbraw/zinc/71/83/21/396718321.db2.gz MHODTOCCZFDCKW-RYUDHWBXSA-N 1 0 307.354 0.607 20 5 DCBDRO C[C@@H](O)CN1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000302522757 396719451 /nfs/dbraw/zinc/71/94/51/396719451.db2.gz JGMXYEHQNFHSCV-SECBINFHSA-N 1 0 311.367 0.807 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596127942 396721428 /nfs/dbraw/zinc/72/14/28/396721428.db2.gz DFZBCNFPSDFCGF-CQSZACIVSA-N 1 0 322.321 0.410 20 5 DCBDRO Cc1cc(N(CC[NH+](C)C)CC(=O)N(C)C)ncc1[N+](=O)[O-] ZINC000596464251 396782126 /nfs/dbraw/zinc/78/21/26/396782126.db2.gz VJXXIMRPKZFZGY-UHFFFAOYSA-N 1 0 309.370 0.754 20 5 DCBDRO CC(C)([NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315440434 396789974 /nfs/dbraw/zinc/78/99/74/396789974.db2.gz RGIPCOGRFSDOLJ-UHFFFAOYSA-N 1 0 307.354 0.766 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000304288087 396729150 /nfs/dbraw/zinc/72/91/50/396729150.db2.gz BGKHRQANEWNLJY-HIFRSBDPSA-N 1 0 323.397 0.712 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000316446929 396796298 /nfs/dbraw/zinc/79/62/98/396796298.db2.gz NPRYNXZLYARNCK-UHFFFAOYSA-N 1 0 310.354 0.903 20 5 DCBDRO COc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000313350343 396769487 /nfs/dbraw/zinc/76/94/87/396769487.db2.gz MMFJVCPRXJNHGD-LLVKDONJSA-N 1 0 309.322 0.793 20 5 DCBDRO O=C1NC(=O)[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000590758618 396834303 /nfs/dbraw/zinc/83/43/03/396834303.db2.gz NFFNAZKFPUEUNO-BETUJISGSA-N 1 0 319.317 0.568 20 5 DCBDRO Nc1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)nc1[N+](=O)[O-] ZINC000590578803 396802066 /nfs/dbraw/zinc/80/20/66/396802066.db2.gz RSWYODLDQFKMKA-LLVKDONJSA-N 1 0 307.354 0.731 20 5 DCBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H](O)Cn3cccn3)nc2c1 ZINC000564863992 396885634 /nfs/dbraw/zinc/88/56/34/396885634.db2.gz LBYHFVFFBDUHSA-NSHDSACASA-N 1 0 316.321 0.818 20 5 DCBDRO Cc1ccc(C)c(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1[N+](=O)[O-] ZINC000601346240 397070024 /nfs/dbraw/zinc/07/00/24/397070024.db2.gz OEEZBEVGASVMHT-QWRGUYRKSA-N 1 0 311.363 0.946 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377513308 397091480 /nfs/dbraw/zinc/09/14/80/397091480.db2.gz SQIKYGKILWRKIV-YPMHNXCESA-N 1 0 323.353 0.161 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000592365645 397160214 /nfs/dbraw/zinc/16/02/14/397160214.db2.gz KWAWIIVXGRVLPF-MRVPVSSYSA-N 1 0 301.324 0.325 20 5 DCBDRO CC[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592382041 397163729 /nfs/dbraw/zinc/16/37/29/397163729.db2.gz GHNYSVLCFHILLL-ZJUUUORDSA-N 1 0 314.367 0.738 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000592381548 397163985 /nfs/dbraw/zinc/16/39/85/397163985.db2.gz UFUQPYIRGIWRKB-NXEZZACHSA-N 1 0 312.351 0.362 20 5 DCBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592387695 397166090 /nfs/dbraw/zinc/16/60/90/397166090.db2.gz HDVSMLBBMLDTQR-IUCAKERBSA-N 1 0 318.330 0.310 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000592428496 397173940 /nfs/dbraw/zinc/17/39/40/397173940.db2.gz SZQFWGWPSCILGN-IUCAKERBSA-N 1 0 324.337 0.784 20 5 DCBDRO CC[C@H](C)C[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592430181 397175353 /nfs/dbraw/zinc/17/53/53/397175353.db2.gz GZNHQDDYWIRCPO-LOWVWBTDSA-N 1 0 300.359 0.539 20 5 DCBDRO C[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000592471055 397186072 /nfs/dbraw/zinc/18/60/72/397186072.db2.gz LDLNPHAOJBCPDD-WDEREUQCSA-N 1 0 308.338 0.342 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000619786065 397192490 /nfs/dbraw/zinc/19/24/90/397192490.db2.gz NUEPGYYHVYWJCY-LLVKDONJSA-N 1 0 323.353 0.645 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000592546623 397207277 /nfs/dbraw/zinc/20/72/77/397207277.db2.gz BMYBDSFFJXEEDP-ZDUSSCGKSA-N 1 0 321.333 0.880 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000592547210 397207647 /nfs/dbraw/zinc/20/76/47/397207647.db2.gz UAATXJNKEYGWAP-BDAKNGLRSA-N 1 0 310.310 0.256 20 5 DCBDRO [NH3+]C1(C(=O)NCCn2cc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000592564038 397217059 /nfs/dbraw/zinc/21/70/59/397217059.db2.gz BAONXIOAHJCUKB-UHFFFAOYSA-N 1 0 315.333 0.404 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)C2CCCCC2)c1 ZINC000386388348 397287875 /nfs/dbraw/zinc/28/78/75/397287875.db2.gz STUNWFMBJGVFKT-KGLIPLIRSA-N 1 0 312.370 0.683 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574876874 397307857 /nfs/dbraw/zinc/30/78/57/397307857.db2.gz DJHPNAMWHAJCPD-VXGBXAGGSA-N 1 0 307.354 0.639 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598594789 397254242 /nfs/dbraw/zinc/25/42/42/397254242.db2.gz CPPIUDLZFQAAPW-SNVBAGLBSA-N 1 0 324.337 0.909 20 5 DCBDRO CC(C)[N@H+](C)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598592361 397254261 /nfs/dbraw/zinc/25/42/61/397254261.db2.gz GWUBXPIVLURXCL-UHFFFAOYSA-N 1 0 324.385 0.974 20 5 DCBDRO CN1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574392792 397262010 /nfs/dbraw/zinc/26/20/10/397262010.db2.gz HCWGBNGVQRSQFZ-GHMZBOCLSA-N 1 0 309.322 0.155 20 5 DCBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000593188439 397336743 /nfs/dbraw/zinc/33/67/43/397336743.db2.gz HFSFOCBOWUOVDK-UTUOFQBUSA-N 1 0 322.365 0.696 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199242 397361206 /nfs/dbraw/zinc/36/12/06/397361206.db2.gz HXHGAJCVDNXHSR-NSHDSACASA-N 1 0 308.338 0.433 20 5 DCBDRO COC1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000577374701 397327202 /nfs/dbraw/zinc/32/72/02/397327202.db2.gz IAPNRYRISFFMFU-UHFFFAOYSA-N 1 0 323.349 0.858 20 5 DCBDRO CN(CC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000602551145 397437693 /nfs/dbraw/zinc/43/76/93/397437693.db2.gz NHPMNZJIEYRUMF-LLVKDONJSA-N 1 0 308.338 0.136 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599587545 397480842 /nfs/dbraw/zinc/48/08/42/397480842.db2.gz FFXTYECCIHZZOF-SECBINFHSA-N 1 0 310.310 0.713 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000602789504 397486751 /nfs/dbraw/zinc/48/67/51/397486751.db2.gz WIEYOEQCVQJOPZ-STQMWFEESA-N 1 0 310.354 0.980 20 5 DCBDRO CCC(O)(CC)C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599673422 397502956 /nfs/dbraw/zinc/50/29/56/397502956.db2.gz NQHYKHCVYVSKBX-LBPRGKRZSA-N 1 0 300.359 0.635 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000370728767 397519277 /nfs/dbraw/zinc/51/92/77/397519277.db2.gz DBHCCIRRYIIJRH-IUCAKERBSA-N 1 0 303.315 0.573 20 5 DCBDRO C[C@@H](O)C[NH+]1CCC(CN(C)c2c([N+](=O)[O-])ncn2C)CC1 ZINC000609257526 397764539 /nfs/dbraw/zinc/76/45/39/397764539.db2.gz ZWCLYOGBBIPGIW-LLVKDONJSA-N 1 0 311.386 0.857 20 5 DCBDRO CC(C)[NH2+][C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390996 397817319 /nfs/dbraw/zinc/81/73/19/397817319.db2.gz GRVHIBHOIPURID-TZMCWYRMSA-N 1 0 311.386 0.615 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000070447568 158047941 /nfs/dbraw/zinc/04/79/41/158047941.db2.gz OFTDWVMXBLJKHA-JTQLQIEISA-N 1 0 317.367 0.865 20 5 DCBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000119289403 158186181 /nfs/dbraw/zinc/18/61/81/158186181.db2.gz SLHKWJDLZQCTPM-LBPRGKRZSA-N 1 0 309.370 0.885 20 5 DCBDRO C[NH+](C)CCn1ccc(NC(=O)Cn2ccc([N+](=O)[O-])n2)n1 ZINC000120055394 158193281 /nfs/dbraw/zinc/19/32/81/158193281.db2.gz QKBMLPCIQRHICR-UHFFFAOYSA-N 1 0 307.314 0.188 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000131872053 158307086 /nfs/dbraw/zinc/30/70/86/158307086.db2.gz VUDQARWZMZFLTI-SECBINFHSA-N 1 0 315.351 0.491 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000131907217 158307258 /nfs/dbraw/zinc/30/72/58/158307258.db2.gz NGHDMDYSHHJKPX-SECBINFHSA-N 1 0 315.351 0.491 20 5 DCBDRO CNS(=O)(=O)c1ccc(NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000133170176 158317096 /nfs/dbraw/zinc/31/70/96/158317096.db2.gz CMMTVZBJERXWEQ-SNVBAGLBSA-N 1 0 314.367 0.652 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000133218976 158317305 /nfs/dbraw/zinc/31/73/05/158317305.db2.gz QAJMJCJHSBHNCX-VIFPVBQESA-N 1 0 317.367 0.737 20 5 DCBDRO COCC1(CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261828740 158743528 /nfs/dbraw/zinc/74/35/28/158743528.db2.gz YVPPDJVAPARNOD-UHFFFAOYSA-N 1 0 311.342 0.372 20 5 DCBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249544767 287113450 /nfs/dbraw/zinc/11/34/50/287113450.db2.gz JZNSLEVIHQEJAG-MPKXVKKWSA-N 1 0 323.349 0.449 20 5 DCBDRO CC1(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C[NH2+]C1 ZINC000399252336 287230584 /nfs/dbraw/zinc/23/05/84/287230584.db2.gz NATVWRZBTJMCHR-UHFFFAOYSA-N 1 0 304.350 0.853 20 5 DCBDRO [NH3+][C@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420422867 287297408 /nfs/dbraw/zinc/29/74/08/287297408.db2.gz MIDPKBVDNHNCMO-CYBMUJFWSA-N 1 0 313.379 0.794 20 5 DCBDRO Cc1nc(N2CCN(C(=O)C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000268518589 415230206 /nfs/dbraw/zinc/23/02/06/415230206.db2.gz UOQXIUOMEQOHCJ-UHFFFAOYSA-N 1 0 307.354 0.508 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+]CCN2CCC2)cc1[N+](=O)[O-] ZINC000353213007 415476313 /nfs/dbraw/zinc/47/63/13/415476313.db2.gz ZLQGJWXVUDIFAU-UHFFFAOYSA-N 1 0 323.349 0.942 20 5 DCBDRO C[NH+](C)CC1(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1 ZINC000343808494 415739586 /nfs/dbraw/zinc/73/95/86/415739586.db2.gz BHAYNYAMGVGSDA-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO C[C@@H]1[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000343887988 415767970 /nfs/dbraw/zinc/76/79/70/415767970.db2.gz FVXGUAQFSAFGEW-PWSUYJOCSA-N 1 0 310.358 0.573 20 5 DCBDRO O=C1NCCN1CC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000343890455 415768282 /nfs/dbraw/zinc/76/82/82/415768282.db2.gz YLGIMMKTSCADSF-LLVKDONJSA-N 1 0 320.353 0.501 20 5 DCBDRO Nc1c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000295430720 415890175 /nfs/dbraw/zinc/89/01/75/415890175.db2.gz KRUOTINUFKYECX-NSHDSACASA-N 1 0 322.365 0.754 20 5 DCBDRO C[C@H]1CCC[N@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000133583483 415948624 /nfs/dbraw/zinc/94/86/24/415948624.db2.gz NSBOPDNNNCZWAF-LBPRGKRZSA-N 1 0 324.385 0.822 20 5 DCBDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000175253379 416101078 /nfs/dbraw/zinc/10/10/78/416101078.db2.gz PJMZLTUWDSCEOT-JTQLQIEISA-N 1 0 320.349 0.781 20 5 DCBDRO O=C1NCCN1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176213196 416121868 /nfs/dbraw/zinc/12/18/68/416121868.db2.gz PSRZTJIRDCFBNC-UHFFFAOYSA-N 1 0 308.342 0.281 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358045324 416177554 /nfs/dbraw/zinc/17/75/54/416177554.db2.gz JEBGLCQMUKZNBB-AWEZNQCLSA-N 1 0 309.322 0.400 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000358159790 416204294 /nfs/dbraw/zinc/20/42/94/416204294.db2.gz ZJPBNDFPJPULAL-NSHDSACASA-N 1 0 308.338 0.501 20 5 DCBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330642637 416221389 /nfs/dbraw/zinc/22/13/89/416221389.db2.gz FCPGEMGDARGOKX-QWRGUYRKSA-N 1 0 310.358 0.423 20 5 DCBDRO O=C(NCCNc1cc[nH+]cc1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000341866281 416245690 /nfs/dbraw/zinc/24/56/90/416245690.db2.gz AZIBBWLKHHZADJ-UHFFFAOYSA-N 1 0 303.278 0.354 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000192519476 416307500 /nfs/dbraw/zinc/30/75/00/416307500.db2.gz LCKJBJCMPZFZJK-UHFFFAOYSA-N 1 0 308.338 0.311 20 5 DCBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000358914582 416294071 /nfs/dbraw/zinc/29/40/71/416294071.db2.gz LUOZMBFFUPWEDO-UHFFFAOYSA-N 1 0 318.337 0.564 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000415409426 416341589 /nfs/dbraw/zinc/34/15/89/416341589.db2.gz DHKQXJURLYADJI-SECBINFHSA-N 1 0 322.321 0.362 20 5 DCBDRO C[NH2+]CC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000415398184 416341655 /nfs/dbraw/zinc/34/16/55/416341655.db2.gz KFTXRCLJAGCWNP-UHFFFAOYSA-N 1 0 320.349 0.991 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415466512 416344910 /nfs/dbraw/zinc/34/49/10/416344910.db2.gz RTJGJRSRZQMDAB-UHFFFAOYSA-N 1 0 308.338 0.949 20 5 DCBDRO [NH3+]CCNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419821734 416413540 /nfs/dbraw/zinc/41/35/40/416413540.db2.gz UUFDRODCDXFPAM-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000458555545 416481363 /nfs/dbraw/zinc/48/13/63/416481363.db2.gz JCQIWAVXEWFTQT-LBPRGKRZSA-N 1 0 324.385 0.915 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361112943 416421413 /nfs/dbraw/zinc/42/14/13/416421413.db2.gz WMJWJFKHEPAHKN-NEPJUHHUSA-N 1 0 307.354 0.604 20 5 DCBDRO C[C@@H]1C[N@@H+](CCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590570593 416527011 /nfs/dbraw/zinc/52/70/11/416527011.db2.gz XQFFIXQWFQOWNL-PHIMTYICSA-N 1 0 309.370 1.483 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000423649484 416536785 /nfs/dbraw/zinc/53/67/85/416536785.db2.gz SSHGSDTUVOKNMN-OPQQBVKSSA-N 1 0 320.349 0.661 20 5 DCBDRO CC(C)[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000594345359 416560803 /nfs/dbraw/zinc/56/08/03/416560803.db2.gz OVKHENXGFHGVCS-NSHDSACASA-N 1 0 307.354 0.984 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000584183248 416508879 /nfs/dbraw/zinc/50/88/79/416508879.db2.gz AKSGSRJKQVHFHF-JOYOIKCWSA-N 1 0 322.296 0.118 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000423998072 416601800 /nfs/dbraw/zinc/60/18/00/416601800.db2.gz ZJKPTMXJXXRNFB-GFCCVEGCSA-N 1 0 320.349 0.887 20 5 DCBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCO1 ZINC000423993334 416602659 /nfs/dbraw/zinc/60/26/59/416602659.db2.gz QKGMOBDKJQKXQB-CQSZACIVSA-N 1 0 322.365 0.892 20 5 DCBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1C ZINC000424007851 416605003 /nfs/dbraw/zinc/60/50/03/416605003.db2.gz VMLJEFCFNHZUAS-NSHDSACASA-N 1 0 309.322 0.630 20 5 DCBDRO O=c1[nH]c(NCC[N@H+]2CC[C@@H](O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000599176291 416610303 /nfs/dbraw/zinc/61/03/03/416610303.db2.gz PUIAQCBKTGQBJJ-SNVBAGLBSA-N 1 0 319.321 0.722 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000423893759 416584842 /nfs/dbraw/zinc/58/48/42/416584842.db2.gz CXLLUAOYVMPKFU-RTXFEEFZSA-N 1 0 307.354 0.828 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]2[NH3+])cn1 ZINC000424248816 416633380 /nfs/dbraw/zinc/63/33/80/416633380.db2.gz XNCCVDSAPVOJPB-UONOGXRCSA-N 1 0 315.333 0.895 20 5 DCBDRO C[NH+]1CCC([C@@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000366765293 416636595 /nfs/dbraw/zinc/63/65/95/416636595.db2.gz HIHHKDZVAVSCAW-LLVKDONJSA-N 1 0 306.370 1.135 20 5 DCBDRO C[C@@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440806012 416648872 /nfs/dbraw/zinc/64/88/72/416648872.db2.gz GWFJHWKOQYAINH-HTQZYQBOSA-N 1 0 305.381 0.933 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000548092007 416684512 /nfs/dbraw/zinc/68/45/12/416684512.db2.gz USXOBNPOJAUOPD-RKDXNWHRSA-N 1 0 305.338 0.927 20 5 DCBDRO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000516276915 416719724 /nfs/dbraw/zinc/71/97/24/416719724.db2.gz QHRGZQLGIUUFMM-CHWSQXEVSA-N 1 0 323.349 0.545 20 5 DCBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000517456972 416804684 /nfs/dbraw/zinc/80/46/84/416804684.db2.gz FFNCFUCYKKRDDX-LLVKDONJSA-N 1 0 308.338 0.215 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429053336 287333320 /nfs/dbraw/zinc/33/33/20/287333320.db2.gz MRLQIYTWNAFKPV-JTQLQIEISA-N 1 0 323.353 0.248 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000429067583 287333620 /nfs/dbraw/zinc/33/36/20/287333620.db2.gz ZUMYWIIZTACBOP-UWVGGRQHSA-N 1 0 310.358 0.387 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000518768553 416874475 /nfs/dbraw/zinc/87/44/75/416874475.db2.gz QYKDIGZMOASWTL-LLVKDONJSA-N 1 0 309.322 0.793 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCN(C3CCCC3)C2)c1 ZINC000520396786 416959119 /nfs/dbraw/zinc/95/91/19/416959119.db2.gz LYHKYILAXJRTMN-IUODEOHRSA-N 1 0 323.397 0.759 20 5 DCBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000565176552 416933451 /nfs/dbraw/zinc/93/34/51/416933451.db2.gz FXUXDNGIPDGNMC-SNVBAGLBSA-N 1 0 307.354 1.032 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000565313763 416968294 /nfs/dbraw/zinc/96/82/94/416968294.db2.gz RNNHIGGMXQSKIF-STQMWFEESA-N 1 0 322.365 0.448 20 5 DCBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000565711471 417007149 /nfs/dbraw/zinc/00/71/49/417007149.db2.gz BUEAWRYQYOZKJP-NTZNESFSSA-N 1 0 323.349 0.578 20 5 DCBDRO CCn1cc(S(=O)(=O)NC(C)(C)CCC[NH3+])c([N+](=O)[O-])n1 ZINC000431024575 417097979 /nfs/dbraw/zinc/09/79/79/417097979.db2.gz ASKVZYPTJYZSGQ-UHFFFAOYSA-N 1 0 319.387 0.607 20 5 DCBDRO C[NH2+][C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430614692 417049972 /nfs/dbraw/zinc/04/99/72/417049972.db2.gz ZXJHUIMMZCCAEH-RISCZKNCSA-N 1 0 304.350 0.994 20 5 DCBDRO C[C@H]1CC[N@H+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000525292570 417135382 /nfs/dbraw/zinc/13/53/82/417135382.db2.gz YMXWJNVQPPDUAK-NSHDSACASA-N 1 0 309.370 0.984 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449601968 417156120 /nfs/dbraw/zinc/15/61/20/417156120.db2.gz NWRLOVOIHMHMCB-RKDXNWHRSA-N 1 0 309.322 0.760 20 5 DCBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569223501 417227000 /nfs/dbraw/zinc/22/70/00/417227000.db2.gz YMWWREXOKYINHA-STQMWFEESA-N 1 0 314.386 0.785 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449698308 417166389 /nfs/dbraw/zinc/16/63/89/417166389.db2.gz NLBJCOGTOOHRHH-CQSZACIVSA-N 1 0 320.393 0.892 20 5 DCBDRO O=C(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])NCC1CC1 ZINC000569687422 417284241 /nfs/dbraw/zinc/28/42/41/417284241.db2.gz SUJHSZNYCVJWHF-LBPRGKRZSA-N 1 0 323.349 0.450 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000414655744 417293961 /nfs/dbraw/zinc/29/39/61/417293961.db2.gz LVTAQAJFLMHHPK-LLVKDONJSA-N 1 0 323.353 0.629 20 5 DCBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000451139364 417304794 /nfs/dbraw/zinc/30/47/94/417304794.db2.gz PCEVQUMJCAQEEK-LLVKDONJSA-N 1 0 311.338 0.530 20 5 DCBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C(N)=O ZINC000451139365 417307403 /nfs/dbraw/zinc/30/74/03/417307403.db2.gz PCEVQUMJCAQEEK-NSHDSACASA-N 1 0 311.338 0.530 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)CC(C)(C)C ZINC000451780209 417398282 /nfs/dbraw/zinc/39/82/82/417398282.db2.gz MTBAUURHOSYGFP-WCQYABFASA-N 1 0 314.386 0.881 20 5 DCBDRO Cn1cnc(CNC[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000570837226 417400701 /nfs/dbraw/zinc/40/07/01/417400701.db2.gz PPQDBHJRXDWCRG-NSHDSACASA-N 1 0 307.310 0.253 20 5 DCBDRO CC(C)[N@H+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000354372308 261210443 /nfs/dbraw/zinc/21/04/43/261210443.db2.gz MKTKZJIKOBSSDM-UHFFFAOYSA-N 1 0 310.354 0.603 20 5 DCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000354421250 261217427 /nfs/dbraw/zinc/21/74/27/261217427.db2.gz NWRBHAXKFYVYSU-SNVBAGLBSA-N 1 0 310.358 0.074 20 5 DCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000354566181 261237953 /nfs/dbraw/zinc/23/79/53/261237953.db2.gz LGNJWEAMZCWLOT-OCCSQVGLSA-N 1 0 320.397 0.847 20 5 DCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000354566183 261238193 /nfs/dbraw/zinc/23/81/93/261238193.db2.gz LGNJWEAMZCWLOT-TZMCWYRMSA-N 1 0 320.397 0.847 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000358706562 261696562 /nfs/dbraw/zinc/69/65/62/261696562.db2.gz NHKXQPAVLWSTGO-OAHLLOKOSA-N 1 0 322.365 0.503 20 5 DCBDRO COc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)cc([N+](=O)[O-])c1OC ZINC000359382567 261742501 /nfs/dbraw/zinc/74/25/01/261742501.db2.gz RJQUJSXLJRBNDL-GHMZBOCLSA-N 1 0 321.333 0.903 20 5 DCBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCC(=O)N1CC[NH2+]CC1 ZINC000390516845 262160091 /nfs/dbraw/zinc/16/00/91/262160091.db2.gz SSSMEEUHZNLGIA-SNAWJCMRSA-N 1 0 318.333 0.156 20 5 DCBDRO CNc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000390003527 262160518 /nfs/dbraw/zinc/16/05/18/262160518.db2.gz KUIOCMJNYYVZNA-LBPRGKRZSA-N 1 0 321.381 0.612 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000417184146 262247135 /nfs/dbraw/zinc/24/71/35/262247135.db2.gz QTLRYQQCLDMNTO-LBPRGKRZSA-N 1 0 324.337 0.391 20 5 DCBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000417915409 262265139 /nfs/dbraw/zinc/26/51/39/262265139.db2.gz SUKGHUGCGBIPMZ-MNOVXSKESA-N 1 0 310.358 0.608 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH2+]CCN2C)n1 ZINC000420266169 262368787 /nfs/dbraw/zinc/36/87/87/262368787.db2.gz FVTXIJDRBOMWRS-VIFPVBQESA-N 1 0 309.326 0.092 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N2CCC[NH2+]CC2)cc1 ZINC000420403162 262374120 /nfs/dbraw/zinc/37/41/20/262374120.db2.gz KQWHFTVFWYBIQO-UHFFFAOYSA-N 1 0 313.379 0.762 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423602694 262449418 /nfs/dbraw/zinc/44/94/18/262449418.db2.gz AAPIUONDIYXBFG-JTQLQIEISA-N 1 0 308.338 0.357 20 5 DCBDRO C[NH2+][C@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430642623 262620621 /nfs/dbraw/zinc/62/06/21/262620621.db2.gz VOOMDDMOPOHEIW-JTQLQIEISA-N 1 0 308.338 0.836 20 5 DCBDRO CNc1c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000360951617 271169876 /nfs/dbraw/zinc/16/98/76/271169876.db2.gz QRAMZCBCFVKJJF-CQSZACIVSA-N 1 0 310.354 0.679 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000419863971 271335706 /nfs/dbraw/zinc/33/57/06/271335706.db2.gz DLIGLBQODIGJEK-UHFFFAOYSA-N 1 0 322.365 0.321 20 5 DCBDRO C[C@H]1C[NH2+]CCN1c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000420219231 271367458 /nfs/dbraw/zinc/36/74/58/271367458.db2.gz POSKZQDFBNBCHX-ZETCQYMHSA-N 1 0 305.381 0.858 20 5 DCBDRO CC(C)(O)C[NH+]1CCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420591557 271375104 /nfs/dbraw/zinc/37/51/04/271375104.db2.gz YNNUJBRNEXPBDE-UHFFFAOYSA-N 1 0 322.365 0.587 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493396888 272186638 /nfs/dbraw/zinc/18/66/38/272186638.db2.gz YXKOHJZWIIKWBM-LQPUYASZSA-N 1 0 322.340 0.767 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000493468445 272190580 /nfs/dbraw/zinc/19/05/80/272190580.db2.gz QOUXSSDRIILGMU-AGKLADILSA-N 1 0 305.334 0.741 20 5 DCBDRO CCC[N@H+](C)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457122226 276246652 /nfs/dbraw/zinc/24/66/52/276246652.db2.gz MFXIEMWFJBYBSB-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO CN(c1ncc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368176866 277004377 /nfs/dbraw/zinc/00/43/77/277004377.db2.gz CPVZRCYHZYSVFG-CYBMUJFWSA-N 1 0 320.397 0.990 20 5 DCBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000547756692 288075857 /nfs/dbraw/zinc/07/58/57/288075857.db2.gz BUBOSDPLIFGWDP-AOOOYVTPSA-N 1 0 311.342 0.547 20 5 DCBDRO COCCC[NH+]1CCC(NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548092311 288110679 /nfs/dbraw/zinc/11/06/79/288110679.db2.gz NMPONFGFPTZAMH-UHFFFAOYSA-N 1 0 311.342 0.549 20 5 DCBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])s1 ZINC000552026964 288260540 /nfs/dbraw/zinc/26/05/40/288260540.db2.gz NRJMPYLHEKXSHV-ZDUSSCGKSA-N 1 0 311.363 0.843 20 5 DCBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000554861161 288339812 /nfs/dbraw/zinc/33/98/12/288339812.db2.gz UUNVWDMXTKNQIP-SNVBAGLBSA-N 1 0 311.342 0.141 20 5 DCBDRO CC(=O)NCCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555563999 288356195 /nfs/dbraw/zinc/35/61/95/288356195.db2.gz WCTXTBOXANGSNK-CYBMUJFWSA-N 1 0 311.338 0.450 20 5 DCBDRO Cn1cc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000562986532 288612364 /nfs/dbraw/zinc/61/23/64/288612364.db2.gz YSZORURZSODBTO-ZDUSSCGKSA-N 1 0 320.349 0.900 20 5 DCBDRO O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563096684 288629323 /nfs/dbraw/zinc/62/93/23/288629323.db2.gz FGEOETPOCWMYFK-WFASDCNBSA-N 1 0 319.365 0.954 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000563899342 288714018 /nfs/dbraw/zinc/71/40/18/288714018.db2.gz UEUPQIRVHFUCII-WCBMZHEXSA-N 1 0 324.312 0.491 20 5 DCBDRO C[C@@H](O)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000564205022 288729870 /nfs/dbraw/zinc/72/98/70/288729870.db2.gz UKEQROCUYBNKQW-VHSXEESVSA-N 1 0 317.367 0.232 20 5 DCBDRO COCC1CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000564857916 288778907 /nfs/dbraw/zinc/77/89/07/288778907.db2.gz QZJXWJRGHSTALC-YIZWMMSDSA-N 1 0 312.370 0.947 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1ccncn1 ZINC000565358880 288846188 /nfs/dbraw/zinc/84/61/88/288846188.db2.gz KRAHNDWDNUKLQS-GFCCVEGCSA-N 1 0 304.306 0.914 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000584005447 331560932 /nfs/dbraw/zinc/56/09/32/331560932.db2.gz UGMDKURCJYTHJC-BDAKNGLRSA-N 1 0 311.729 0.391 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC1CC[NH2+]CC1 ZINC000583630210 336001480 /nfs/dbraw/zinc/00/14/80/336001480.db2.gz OFJZUACJLXRWON-UHFFFAOYSA-N 1 0 300.340 0.268 20 5 DCBDRO CCN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC001577720897 1159264646 /nfs/dbraw/zinc/26/46/46/1159264646.db2.gz ACBHZSZSMHXIFU-UHFFFAOYSA-N 1 0 315.351 0.419 20 5 DCBDRO [NH3+][C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000399242127 337314569 /nfs/dbraw/zinc/31/45/69/337314569.db2.gz UOEACQLXQXUIAB-AWEZNQCLSA-N 1 0 319.365 0.766 20 5 DCBDRO C[NH2+][C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000576107702 341827148 /nfs/dbraw/zinc/82/71/48/341827148.db2.gz ZVXOUOWDMGVIQF-VIFPVBQESA-N 1 0 300.340 0.362 20 5 DCBDRO C[C@@H]1C[NH+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000159537709 524949688 /nfs/dbraw/zinc/94/96/88/524949688.db2.gz GIFXBBMNMBMXKG-NXEZZACHSA-N 1 0 311.342 0.547 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157821748 525231954 /nfs/dbraw/zinc/23/19/54/525231954.db2.gz MBQKRSKRTQFWMW-JQWIXIFHSA-N 1 0 320.349 0.663 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000267337121 526713312 /nfs/dbraw/zinc/71/33/12/526713312.db2.gz HJWDNYXXTALTDT-LLVKDONJSA-N 1 0 308.338 0.717 20 5 DCBDRO CC(C)CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CC[NH+](C)CC1 ZINC000330776558 527899664 /nfs/dbraw/zinc/89/96/64/527899664.db2.gz SZRJVPBZKVIOLS-UHFFFAOYSA-N 1 0 324.385 0.765 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000415466492 528613407 /nfs/dbraw/zinc/61/34/07/528613407.db2.gz RRQLUOSKBJDZDX-UHFFFAOYSA-N 1 0 324.337 0.786 20 5 DCBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000430272982 536372994 /nfs/dbraw/zinc/37/29/94/536372994.db2.gz ZHJCLBIPMJIBCU-HNNXBMFYSA-N 1 0 320.349 0.652 20 5 DCBDRO C[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000820774952 606719446 /nfs/dbraw/zinc/71/94/46/606719446.db2.gz HHKJBXRJTYUBLG-WCBMZHEXSA-N 1 0 318.341 0.556 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000823651795 607230083 /nfs/dbraw/zinc/23/00/83/607230083.db2.gz QVFUKISTKVDPNN-UHFFFAOYSA-N 1 0 320.338 0.823 20 5 DCBDRO C[C@@]1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[NH+]2CCC1CC2 ZINC000892785816 659455145 /nfs/dbraw/zinc/45/51/45/659455145.db2.gz PTBKRWUMWNRHEE-OAHLLOKOSA-N 1 0 320.349 0.357 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCC3CCOCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775612 659556933 /nfs/dbraw/zinc/55/69/33/659556933.db2.gz IIAVGFJCJQMAEO-QMIVOQANSA-N 1 0 323.393 0.515 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccco2)C1 ZINC001019942357 659637516 /nfs/dbraw/zinc/63/75/16/659637516.db2.gz ZTGQYVSMGZKNMH-MGCOHNPYSA-N 1 0 319.321 0.972 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000841173372 661736442 /nfs/dbraw/zinc/73/64/42/661736442.db2.gz JFUAYBGJGMMJIG-ZETCQYMHSA-N 1 0 312.301 0.786 20 5 DCBDRO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896539479 662284637 /nfs/dbraw/zinc/28/46/37/662284637.db2.gz PCNIIYVTFVROCO-RYUDHWBXSA-N 1 0 300.403 0.572 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000902810337 663435954 /nfs/dbraw/zinc/43/59/54/663435954.db2.gz UCVWOBLBYJABRM-ITGUQSILSA-N 1 0 318.333 0.552 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000903840215 663488701 /nfs/dbraw/zinc/48/87/01/663488701.db2.gz PTOOAONPSQLYQU-LSDHHAIUSA-N 1 0 309.366 0.939 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000903874778 663491215 /nfs/dbraw/zinc/49/12/15/663491215.db2.gz JTGXLALWOBYJHC-GFCCVEGCSA-N 1 0 322.365 0.762 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911657317 664099077 /nfs/dbraw/zinc/09/90/77/664099077.db2.gz SKQYCHYZTNRRCG-YGRLFVJLSA-N 1 0 318.333 0.908 20 5 DCBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903972 664246477 /nfs/dbraw/zinc/24/64/77/664246477.db2.gz NGZXWUDICSPTBQ-KGLIPLIRSA-N 1 0 305.334 0.935 20 5 DCBDRO CCc1ccc(C(=O)N2CCN(C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000913550204 664350867 /nfs/dbraw/zinc/35/08/67/664350867.db2.gz OVMPDVYQUJMBOV-CYBMUJFWSA-N 1 0 307.350 0.906 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CSCCS2)c1 ZINC000229599875 666676764 /nfs/dbraw/zinc/67/67/64/666676764.db2.gz BVVQUPZJBWBWRW-WDEREUQCSA-N 1 0 318.424 0.590 20 5 DCBDRO O=C1OC[C@H]2CN(Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@@H]12 ZINC000862545365 667047225 /nfs/dbraw/zinc/04/72/25/667047225.db2.gz QFMHMPILKRDYAW-GHMZBOCLSA-N 1 0 320.301 0.971 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(Cl)nc2)c1 ZINC000743261322 667805253 /nfs/dbraw/zinc/80/52/53/667805253.db2.gz DOKOEYMSDDAZGD-LLVKDONJSA-N 1 0 311.729 0.990 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000871987651 667863727 /nfs/dbraw/zinc/86/37/27/667863727.db2.gz UIVVCCAKXJPLHS-AWEZNQCLSA-N 1 0 303.322 0.823 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000749648258 667959589 /nfs/dbraw/zinc/95/95/89/667959589.db2.gz RXLQGBVTJBEZRR-PWSUYJOCSA-N 1 0 300.336 0.405 20 5 DCBDRO C[NH+]1CCC2(CCN2C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000758277364 668165198 /nfs/dbraw/zinc/16/51/98/668165198.db2.gz UVCXMGZWASCCOD-UHFFFAOYSA-N 1 0 305.338 0.882 20 5 DCBDRO CC[C@H]1COCCN1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000874698716 668208433 /nfs/dbraw/zinc/20/84/33/668208433.db2.gz BDXQIPSEPNUJQL-NSHDSACASA-N 1 0 310.354 0.774 20 5 DCBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CN(C)CCO1 ZINC000877100584 668562698 /nfs/dbraw/zinc/56/26/98/668562698.db2.gz UVJBIOKJFKKMSI-MLCFOIATSA-N 1 0 309.370 0.804 20 5 DCBDRO CN(C)C(=O)O[C@@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000877560344 668629174 /nfs/dbraw/zinc/62/91/74/668629174.db2.gz OBTXQCGWVGBYPS-LLVKDONJSA-N 1 0 311.342 0.991 20 5 DCBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000779544444 668912840 /nfs/dbraw/zinc/91/28/40/668912840.db2.gz MKODODUOGAYRAB-CQSZACIVSA-N 1 0 310.354 0.610 20 5 DCBDRO O=C1[C@H]2C[N@@H+](CC[N+](=O)[O-])C[C@H]2C(=O)N1Cc1ccccc1 ZINC000930926414 669106464 /nfs/dbraw/zinc/10/64/64/669106464.db2.gz VQJWUNFUIRQCAR-BETUJISGSA-N 1 0 303.318 0.380 20 5 DCBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000796430479 669931002 /nfs/dbraw/zinc/93/10/02/669931002.db2.gz KOPMNVSZGRIFSQ-LLVKDONJSA-N 1 0 323.353 0.691 20 5 DCBDRO COC(=O)c1cc(C)nc(NC[C@H](O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000804343656 670290914 /nfs/dbraw/zinc/29/09/14/670290914.db2.gz ABAUZFNHNBTJRE-VIFPVBQESA-N 1 0 312.326 0.419 20 5 DCBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804553767 670299799 /nfs/dbraw/zinc/29/97/99/670299799.db2.gz BTWSRZXYTBIPRW-UHFFFAOYSA-N 1 0 321.381 0.777 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000847046453 670513204 /nfs/dbraw/zinc/51/32/04/670513204.db2.gz VYBDHAQZJQLFLF-RRFJBIMHSA-N 1 0 307.350 0.379 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000819052998 671090275 /nfs/dbraw/zinc/09/02/75/671090275.db2.gz HUYPIBFNAFJUEN-WCQYABFASA-N 1 0 314.363 0.795 20 5 DCBDRO O=C1CCC(=O)N1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819065780 671090935 /nfs/dbraw/zinc/09/09/35/671090935.db2.gz UFBRYCNZVRZABZ-GFCCVEGCSA-N 1 0 307.306 0.367 20 5 DCBDRO O=C1OCCN1[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000852436724 671130461 /nfs/dbraw/zinc/13/04/61/671130461.db2.gz MOGJRAWSCGVLGU-LLVKDONJSA-N 1 0 322.321 0.283 20 5 DCBDRO C[C@H](C[NH3+])c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823116826 671370159 /nfs/dbraw/zinc/37/01/59/671370159.db2.gz ZNHNPPHJISASRZ-SECBINFHSA-N 1 0 319.321 0.899 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823962308 671414285 /nfs/dbraw/zinc/41/42/85/671414285.db2.gz RDOBALUNPMLZLC-UHFFFAOYSA-N 1 0 311.342 0.613 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823961648 671414354 /nfs/dbraw/zinc/41/43/54/671414354.db2.gz HPPSXQPNESBHAC-ZDUSSCGKSA-N 1 0 309.326 0.365 20 5 DCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H](C)[NH3+] ZINC000834820779 671782749 /nfs/dbraw/zinc/78/27/49/671782749.db2.gz CPUWYGJIQNVXDA-WDEREUQCSA-N 1 0 322.365 0.897 20 5 DCBDRO Nc1ccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)cc1[N+](=O)[O-] ZINC000843169843 672067310 /nfs/dbraw/zinc/06/73/10/672067310.db2.gz UISLOJLCRVZTEB-SECBINFHSA-N 1 0 305.294 0.758 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000892560918 685427252 /nfs/dbraw/zinc/42/72/52/685427252.db2.gz JPFJYJAUYFMSGJ-GFCCVEGCSA-N 1 0 308.386 0.545 20 5 DCBDRO O=C(NCCCN1CC[NH+](CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001752343610 1157913720 /nfs/dbraw/zinc/91/37/20/1157913720.db2.gz OEJSPMCUBHTDAJ-ZIAGYGMSSA-N 1 0 310.398 0.186 20 5 DCBDRO COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001670781238 1158000594 /nfs/dbraw/zinc/00/05/94/1158000594.db2.gz IHOUJDCWEFLAJX-VXGBXAGGSA-N 1 0 320.349 0.494 20 5 DCBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001303479994 1159153912 /nfs/dbraw/zinc/15/39/12/1159153912.db2.gz XEWVDXNXPBMTBY-GFCCVEGCSA-N 1 0 322.365 0.557 20 5 DCBDRO CN(CCNCc1cn(C(C)(C)C)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001567493723 1160392885 /nfs/dbraw/zinc/39/28/85/1160392885.db2.gz FEOVWWDLCQDGTL-VXGBXAGGSA-N 1 0 324.385 0.246 20 5 DCBDRO CN(C[C@@H](O)C[NH3+])C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001578446247 1165020272 /nfs/dbraw/zinc/02/02/72/1165020272.db2.gz SSEHZRAHLKZEAK-JTQLQIEISA-N 1 0 319.321 0.172 20 5 DCBDRO CNc1c(C(=O)NC[C@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC001578754755 1165096189 /nfs/dbraw/zinc/09/61/89/1165096189.db2.gz ZABYACSJVAJTGH-SNVBAGLBSA-N 1 0 308.338 0.745 20 5 DCBDRO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC12C[NH2+]C2 ZINC001578796968 1165116465 /nfs/dbraw/zinc/11/64/65/1165116465.db2.gz LKUPXQGAGYEZIP-SECBINFHSA-N 1 0 310.285 0.328 20 5 DCBDRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001579122004 1165216097 /nfs/dbraw/zinc/21/60/97/1165216097.db2.gz LRFOBVHILXVBFL-PRHODGIISA-N 1 0 309.278 0.040 20 5 DCBDRO COc1cc(OC[C@H]2CC3(C[NH2+]C3)C(=O)O2)ccc1[N+](=O)[O-] ZINC001579171549 1165229780 /nfs/dbraw/zinc/22/97/80/1165229780.db2.gz YEUZEAMKTSOWER-SNVBAGLBSA-N 1 0 308.290 0.887 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H]1CC[NH2+]1 ZINC001579181051 1165231386 /nfs/dbraw/zinc/23/13/86/1165231386.db2.gz VDBULMTXPZRQDF-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO COc1ccc(C(=O)CNC(=O)[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001579188916 1165233292 /nfs/dbraw/zinc/23/32/92/1165233292.db2.gz SIKFOKGYXRVIAG-IUCAKERBSA-N 1 0 309.322 0.886 20 5 DCBDRO Cc1c(CC(=O)N2CCN(C3C[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC001579530803 1165338783 /nfs/dbraw/zinc/33/87/83/1165338783.db2.gz YLRKCFRGUQDEDU-UHFFFAOYSA-N 1 0 318.377 0.562 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC001579734702 1165383844 /nfs/dbraw/zinc/38/38/44/1165383844.db2.gz XAGWWYOHMBMBMI-DGCLKSJQSA-N 1 0 323.349 0.369 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC001579869067 1165415952 /nfs/dbraw/zinc/41/59/52/1165415952.db2.gz QNRIOIFYFVAHRK-RISCZKNCSA-N 1 0 307.354 0.891 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC001579967910 1165454062 /nfs/dbraw/zinc/45/40/62/1165454062.db2.gz DNASCRNEALPECG-NWDGAFQWSA-N 1 0 309.370 0.509 20 5 DCBDRO [NH3+]CC12CC(C1)CN2C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001580247947 1165547806 /nfs/dbraw/zinc/54/78/06/1165547806.db2.gz ZZZSZJDNZOBTHI-UHFFFAOYSA-N 1 0 319.317 0.736 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccnn1C1C[NH2+]C1 ZINC001580562210 1165640592 /nfs/dbraw/zinc/64/05/92/1165640592.db2.gz MOWGCRRYSVIDQX-UHFFFAOYSA-N 1 0 317.305 0.953 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001580579140 1165643683 /nfs/dbraw/zinc/64/36/83/1165643683.db2.gz YSJQQCCJPUKIGS-ZDUSSCGKSA-N 1 0 308.342 0.321 20 5 DCBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001580724004 1165701335 /nfs/dbraw/zinc/70/13/35/1165701335.db2.gz XRNDUUZWVBXQFG-CQSZACIVSA-N 1 0 304.306 0.719 20 5 DCBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001580746641 1165707049 /nfs/dbraw/zinc/70/70/49/1165707049.db2.gz LLCCIMSCNMRZGN-PSASIEDQSA-N 1 0 319.239 0.676 20 5 DCBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)CC2C[NH2+]C2)c(F)c1F ZINC001580876072 1165749671 /nfs/dbraw/zinc/74/96/71/1165749671.db2.gz ZPPMMQATVJCYEU-UHFFFAOYSA-N 1 0 308.262 0.801 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCc2ccnc(N)c2C1 ZINC001586737123 1166498059 /nfs/dbraw/zinc/49/80/59/1166498059.db2.gz DZEWJCSNKMGJRQ-UHFFFAOYSA-N 1 0 316.321 0.662 20 5 DCBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC[N@@H+]1C ZINC001590175200 1166801111 /nfs/dbraw/zinc/80/11/11/1166801111.db2.gz MPVRDMRYINGRAF-SFYZADRCSA-N 1 0 318.341 0.862 20 5 DCBDRO C[C@@H]1[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001590177353 1166801422 /nfs/dbraw/zinc/80/14/22/1166801422.db2.gz CYTOPMBJDVJWRQ-VXNVDRBHSA-N 1 0 304.314 0.674 20 5 DCBDRO C[N@H+](CCC(N)=O)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591064200 1167097824 /nfs/dbraw/zinc/09/78/24/1167097824.db2.gz FCFNBYNDKXILGI-UHFFFAOYSA-N 1 0 305.298 0.082 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001591370898 1167241153 /nfs/dbraw/zinc/24/11/53/1167241153.db2.gz WSRPTAMUWTXLOA-ZDUSSCGKSA-N 1 0 321.341 0.859 20 5 DCBDRO CC1(C)CN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001603787956 1169392229 /nfs/dbraw/zinc/39/22/29/1169392229.db2.gz PTUKQLQRDOIVFL-UHFFFAOYSA-N 1 0 303.326 0.963 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]21 ZINC001604867568 1169721090 /nfs/dbraw/zinc/72/10/90/1169721090.db2.gz RQHGOGVJPKAWGY-KCJUWKMLSA-N 1 0 316.325 0.310 20 5 DCBDRO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC001609277293 1170909552 /nfs/dbraw/zinc/90/95/52/1170909552.db2.gz UGLLHBFAMZOFBQ-UHFFFAOYSA-N 1 0 304.310 0.732 20 5 DCBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001612950148 1171366243 /nfs/dbraw/zinc/36/62/43/1171366243.db2.gz GTWMTPXJHRVOSJ-MWLCHTKSSA-N 1 0 322.369 0.135 20 5 DCBDRO C[C@H](CC(N)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001621339798 1171408969 /nfs/dbraw/zinc/40/89/69/1171408969.db2.gz SIWQFANSYWHXPB-SNVBAGLBSA-N 1 0 307.354 0.812 20 5 DCBDRO C[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+](C2CC2)C1 ZINC001625284249 1171469910 /nfs/dbraw/zinc/46/99/10/1171469910.db2.gz GEJXCXPCGDKJIS-SNVBAGLBSA-N 1 0 307.354 0.885 20 5 DCBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001627131441 1171497573 /nfs/dbraw/zinc/49/75/73/1171497573.db2.gz NTKAQXWQHVWDFD-UHFFFAOYSA-N 1 0 324.385 0.416 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC001627743915 1171512101 /nfs/dbraw/zinc/51/21/01/1171512101.db2.gz INOXQXTXEJESBC-UHFFFAOYSA-N 1 0 323.349 0.790 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001637318109 1171762302 /nfs/dbraw/zinc/76/23/02/1171762302.db2.gz SKLLYXLMRWXTCD-QWRGUYRKSA-N 1 0 311.317 0.436 20 5 DCBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001640216358 1171870240 /nfs/dbraw/zinc/87/02/40/1171870240.db2.gz PABJSFUQSXEJFC-UHFFFAOYSA-N 1 0 323.353 0.691 20 5 DCBDRO Nc1nccc2c1CN(C(=O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001642211381 1171939428 /nfs/dbraw/zinc/93/94/28/1171939428.db2.gz ABIRLFLBNNZOGJ-UHFFFAOYSA-N 1 0 302.294 0.353 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)cc1 ZINC001648634896 1173078281 /nfs/dbraw/zinc/07/82/81/1173078281.db2.gz KSSICFLYQUBPLM-UMVBOHGHSA-N 1 0 310.350 0.551 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001649380510 1173133427 /nfs/dbraw/zinc/13/34/27/1173133427.db2.gz JMEQBPQQRCCTEU-UHFFFAOYSA-N 1 0 320.349 0.770 20 5 DCBDRO O=C(N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001650739566 1173731721 /nfs/dbraw/zinc/73/17/21/1173731721.db2.gz NOKLUGVTEOBVTP-PWSUYJOCSA-N 1 0 323.353 0.426 20 5 DCBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CCCOC1 ZINC001655427401 1173818640 /nfs/dbraw/zinc/81/86/40/1173818640.db2.gz LUJOMWXTZWTIGQ-BNOWGMLFSA-N 1 0 312.370 0.947 20 5 DCBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@H](CCO)[C@H](CO)C1 ZINC001655898381 1173830591 /nfs/dbraw/zinc/83/05/91/1173830591.db2.gz IJFZZGWFFJOKFI-STQMWFEESA-N 1 0 310.350 0.896 20 5 DCBDRO COC(=O)C1CC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001665607251 1174536102 /nfs/dbraw/zinc/53/61/02/1174536102.db2.gz XGKHBOTWJDBALW-GVOSGWPFSA-N 1 0 324.333 0.530 20 5 DCBDRO CC[N@H+](CCCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001689953050 1177123250 /nfs/dbraw/zinc/12/32/50/1177123250.db2.gz FEKZGCGUPOQYQN-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CCC(F)F ZINC001714735955 1181515385 /nfs/dbraw/zinc/51/53/85/1181515385.db2.gz PTIIBPVGDHAZNR-UHFFFAOYSA-N 1 0 319.312 0.922 20 5 DCBDRO CN(CC[N@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715518002 1181839129 /nfs/dbraw/zinc/83/91/29/1181839129.db2.gz LEBKZOQHBCBGSC-CHWSQXEVSA-N 1 0 309.370 0.018 20 5 DCBDRO CCc1onc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716292182 1182310299 /nfs/dbraw/zinc/31/02/99/1182310299.db2.gz FJNRYVVJFWLBJM-FTGSRHIXSA-N 1 0 322.365 0.973 20 5 DCBDRO O=C(NCCCN1CC[NH+](CCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731358299 1185289748 /nfs/dbraw/zinc/28/97/48/1185289748.db2.gz SKRRVOGMRRHMIM-CHWSQXEVSA-N 1 0 316.377 0.135 20 5 DCBDRO Cc1cc[nH]c1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001753185911 1188526973 /nfs/dbraw/zinc/52/69/73/1188526973.db2.gz DUOLVVAUZGMNKA-UHFFFAOYSA-N 1 0 320.353 0.827 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]21 ZINC001164669308 719415626 /nfs/dbraw/zinc/41/56/26/719415626.db2.gz LNIWAZZREQYZOS-NEPJUHHUSA-N 1 0 303.322 0.990 20 5 DCBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921941 721868080 /nfs/dbraw/zinc/86/80/80/721868080.db2.gz FDNJRWZFMPDFFH-QWHCGFSZSA-N 1 0 320.397 0.787 20 5 DCBDRO C[NH2+]Cc1c(C)nn(-c2nc(OC)c([N+](=O)[O-])c(OC)n2)c1C ZINC001167098537 746980619 /nfs/dbraw/zinc/98/06/19/746980619.db2.gz ABCMPSAZFROAHY-UHFFFAOYSA-N 1 0 322.325 0.924 20 5 DCBDRO CCN(CC(C)(C)O)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001167156360 747003784 /nfs/dbraw/zinc/00/37/84/747003784.db2.gz CPHRDPNCEPHLMM-UHFFFAOYSA-N 1 0 324.385 0.392 20 5 DCBDRO Cc1ncc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)o1 ZINC001048814516 754956933 /nfs/dbraw/zinc/95/69/33/754956933.db2.gz OSLQZBMEYCXVJO-ZMJPVWNMSA-N 1 0 320.349 0.538 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001154766079 758818941 /nfs/dbraw/zinc/81/89/41/758818941.db2.gz QLSFRWQEDXQBFS-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO Cn1cncc1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147871730 767866127 /nfs/dbraw/zinc/86/61/27/767866127.db2.gz JRQZKWCAKMJZIF-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1C ZINC001086083046 759691026 /nfs/dbraw/zinc/69/10/26/759691026.db2.gz LVPMUGRBZANICR-ZMJPVWNMSA-N 1 0 321.381 0.378 20 5 DCBDRO CCn1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086084405 759694370 /nfs/dbraw/zinc/69/43/70/759694370.db2.gz PWCGVXYKVIGCAD-YXCITZCRSA-N 1 0 321.381 0.553 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC001123089043 767925931 /nfs/dbraw/zinc/92/59/31/767925931.db2.gz AHQDCCPJRNNECJ-UHFFFAOYSA-N 1 0 323.334 0.672 20 5 DCBDRO CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168977381 760528849 /nfs/dbraw/zinc/52/88/49/760528849.db2.gz BCQWTHPOTJEKSH-XQQFMLRXSA-N 1 0 314.386 0.182 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCCCC2)C1 ZINC001168968443 760533934 /nfs/dbraw/zinc/53/39/34/760533934.db2.gz ZDJXLSBQIYJZMS-QWHCGFSZSA-N 1 0 319.427 0.837 20 5 DCBDRO COC(=O)[C@@H]1COCCC12C[NH+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169036176 760554865 /nfs/dbraw/zinc/55/48/65/760554865.db2.gz FQMUZSNDVNRAAQ-AVGNSLFASA-N 1 0 312.366 0.943 20 5 DCBDRO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)N1 ZINC001169048974 760563551 /nfs/dbraw/zinc/56/35/51/760563551.db2.gz VQYRSPQGQXRPIM-VOYPLFDMSA-N 1 0 322.365 0.637 20 5 DCBDRO O=[N+]([O-])c1c(NCC2(CO)CCC2)ncnc1N1CC[NH2+]CC1 ZINC001156271854 760606261 /nfs/dbraw/zinc/60/62/61/760606261.db2.gz HBUPNOFKWWTRRA-UHFFFAOYSA-N 1 0 322.369 0.369 20 5 DCBDRO O=C(Cn1cccn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123516172 767992242 /nfs/dbraw/zinc/99/22/42/767992242.db2.gz WMTDSSAHLWBSPZ-UHFFFAOYSA-N 1 0 303.322 0.697 20 5 DCBDRO COc1nc(SC)nc(N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170779926 765731790 /nfs/dbraw/zinc/73/17/90/765731790.db2.gz ZBEVNEWGODDSAI-RQJHMYQMSA-N 1 0 315.355 0.108 20 5 DCBDRO COC(=O)Cc1ccc(N[C@H]2C[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001170781925 765740836 /nfs/dbraw/zinc/74/08/36/765740836.db2.gz LEKRDKPJIUQPNV-JQWIXIFHSA-N 1 0 309.322 0.303 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccnn1 ZINC001135637526 766018098 /nfs/dbraw/zinc/01/80/98/766018098.db2.gz OHVMTTPHRWQGML-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001170872870 766178368 /nfs/dbraw/zinc/17/83/68/766178368.db2.gz WFANJFKEGHTSFS-VXNVDRBHSA-N 1 0 314.729 0.628 20 5 DCBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001118487202 766331205 /nfs/dbraw/zinc/33/12/05/766331205.db2.gz SCVOBHSSCLEQGG-UHFFFAOYSA-N 1 0 308.338 0.407 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ccc(NC(C)=O)c([N+](=O)[O-])c1 ZINC001170995311 766385052 /nfs/dbraw/zinc/38/50/52/766385052.db2.gz JTBSINXJGOGTTR-UHFFFAOYSA-N 1 0 324.337 0.881 20 5 DCBDRO C[NH+](C)CCONC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001118705182 766410859 /nfs/dbraw/zinc/41/08/59/766410859.db2.gz LCHFZRPDHYCULM-UHFFFAOYSA-N 1 0 320.309 0.399 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001118905172 766467610 /nfs/dbraw/zinc/46/76/10/766467610.db2.gz REUSOQNXHYHBEK-NSHDSACASA-N 1 0 322.365 0.401 20 5 DCBDRO C[C@]1(NC(=O)c2cc([N+](=O)[O-])cnc2N)C[NH+]2CCC1CC2 ZINC001146873261 767565755 /nfs/dbraw/zinc/56/57/55/767565755.db2.gz FOZYAOQDVALXBX-AWEZNQCLSA-N 1 0 305.338 0.786 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCNCC[NH2+]CC1 ZINC001122204976 767740083 /nfs/dbraw/zinc/74/00/83/767740083.db2.gz XHFXPWKWGQAEMS-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO COC(=O)c1ccc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001230893318 768903626 /nfs/dbraw/zinc/90/36/26/768903626.db2.gz DLKQKCWPBBBLJY-LLVKDONJSA-N 1 0 314.333 0.975 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N[C@@H]2COC[C@H]2[NH3+])c1F ZINC001173187825 769556506 /nfs/dbraw/zinc/55/65/06/769556506.db2.gz GZVXUHFSVRVWLD-JMJZKYOTSA-N 1 0 313.329 0.989 20 5 DCBDRO COC(=O)[C@@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001175668984 769940503 /nfs/dbraw/zinc/94/05/03/769940503.db2.gz JYBISQWPFZEXSU-CQSZACIVSA-N 1 0 310.306 0.713 20 5 DCBDRO CC(=O)NCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154199517 770107952 /nfs/dbraw/zinc/10/79/52/770107952.db2.gz PWFCKHVKYHYQMA-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO CC(C)Oc1nc(N(CC[NH3+])S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC001154770930 770290550 /nfs/dbraw/zinc/29/05/50/770290550.db2.gz LYAKQCWYBIDUMD-UHFFFAOYSA-N 1 0 318.355 0.502 20 5 DCBDRO Cc1nc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155384848 770484841 /nfs/dbraw/zinc/48/48/41/770484841.db2.gz WOANCMOXYKXBQJ-GFCCVEGCSA-N 1 0 306.370 0.553 20 5 DCBDRO COc1cc2ncnc(N(CC[NH3+])CCO)c2cc1[N+](=O)[O-] ZINC001155953177 770672688 /nfs/dbraw/zinc/67/26/88/770672688.db2.gz QWULDURAEGCQMS-UHFFFAOYSA-N 1 0 307.310 0.304 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001178455659 770757937 /nfs/dbraw/zinc/75/79/37/770757937.db2.gz KBHHWSRLVNRJNL-GHMZBOCLSA-N 1 0 324.385 0.648 20 5 DCBDRO COC(=O)c1cnc(-n2ccc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001156850096 770943657 /nfs/dbraw/zinc/94/36/57/770943657.db2.gz QOWZZOPWYRVDDE-UHFFFAOYSA-N 1 0 303.278 0.505 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC(=N)NCCCC[NH3+])n1 ZINC001157102087 771535649 /nfs/dbraw/zinc/53/56/49/771535649.db2.gz SPILIKJFXJDFMG-UHFFFAOYSA-N 1 0 324.345 0.327 20 5 DCBDRO COc1nc(-n2ccc3c2CC[NH2+]C3)nc(OC)c1[N+](=O)[O-] ZINC001157444354 771610428 /nfs/dbraw/zinc/61/04/28/771610428.db2.gz LRFBSSFAEKBQIP-UHFFFAOYSA-N 1 0 305.294 0.838 20 5 DCBDRO Cc1nc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158268889 771751041 /nfs/dbraw/zinc/75/10/41/771751041.db2.gz NQTBGVPXNQBFIW-LLVKDONJSA-N 1 0 306.370 0.695 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001158634232 771797017 /nfs/dbraw/zinc/79/70/17/771797017.db2.gz AIRWTBPPDWMIFL-FZMZJTMJSA-N 1 0 324.312 0.860 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1COCC[NH2+]1 ZINC001159043522 771851277 /nfs/dbraw/zinc/85/12/77/771851277.db2.gz DEUWKLBWUNUGHS-VIFPVBQESA-N 1 0 310.310 0.567 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2COCC[NH2+]2)n1 ZINC001159045261 771852347 /nfs/dbraw/zinc/85/23/47/771852347.db2.gz CYDUDIHCJJJKCC-SECBINFHSA-N 1 0 310.314 0.052 20 5 DCBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc([N+](=O)[O-])cc2N)O1 ZINC001159243724 771882619 /nfs/dbraw/zinc/88/26/19/771882619.db2.gz SKGUJFSPFHKGIU-WZRBSPASSA-N 1 0 311.342 0.709 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC001161464207 772227464 /nfs/dbraw/zinc/22/74/64/772227464.db2.gz UMKQDJATAVSYNA-CYBMUJFWSA-N 1 0 307.354 0.466 20 5 DCBDRO C[NH+](C)CCCCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001161728120 772273387 /nfs/dbraw/zinc/27/33/87/772273387.db2.gz CAJAVEJRXAAKDZ-UHFFFAOYSA-N 1 0 324.385 0.975 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]2COCCC23C[NH2+]C3)n1 ZINC001163069457 772453444 /nfs/dbraw/zinc/45/34/44/772453444.db2.gz ORGFXMWQYLIYTJ-NSHDSACASA-N 1 0 322.321 0.567 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163083221 772457588 /nfs/dbraw/zinc/45/75/88/772457588.db2.gz YQLWVQDVWQBIPD-SECBINFHSA-N 1 0 321.337 0.269 20 5 DCBDRO Cc1c[n+]([O-])c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC001163164556 772476076 /nfs/dbraw/zinc/47/60/76/772476076.db2.gz XBIDLSJUWLDLOA-WZRBSPASSA-N 1 0 308.338 0.573 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3nsnc3c2[N+](=O)[O-])N1 ZINC001163250033 772490676 /nfs/dbraw/zinc/49/06/76/772490676.db2.gz MHPPVTXDOAINAS-PELKAZGASA-N 1 0 320.334 0.590 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])c3nccn3c2)N1 ZINC001163252062 772491713 /nfs/dbraw/zinc/49/17/13/772491713.db2.gz TXNADQIMRBOZGL-ZWNOBZJWSA-N 1 0 302.294 0.233 20 5 DCBDRO NC(=O)c1nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001163307226 772503497 /nfs/dbraw/zinc/50/34/97/772503497.db2.gz XBBFPWNABAJVJX-OTYXRUKQSA-N 1 0 321.337 0.412 20 5 DCBDRO CCOC(=O)c1cnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c([N+](=O)[O-])c1 ZINC001163337286 772508618 /nfs/dbraw/zinc/50/86/18/772508618.db2.gz ZOXPACXNDYGLKO-SCVCMEIPSA-N 1 0 322.321 0.708 20 5 DCBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)S(=O)(=O)CC[NH3+] ZINC001164296704 772640673 /nfs/dbraw/zinc/64/06/73/772640673.db2.gz LVJZMXGRNZKABK-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO COc1nc(N2CC([N@H+](C)[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001165203806 772704033 /nfs/dbraw/zinc/70/40/33/772704033.db2.gz GYZZTMIMADQQKP-SNVBAGLBSA-N 1 0 308.338 0.908 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001165283637 772717259 /nfs/dbraw/zinc/71/72/59/772717259.db2.gz GHLKGDDGOOBAFQ-BMIGLBTASA-N 1 0 315.333 0.556 20 5 DCBDRO Cc1ccnc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1[N+](=O)[O-] ZINC001165343420 772725083 /nfs/dbraw/zinc/72/50/83/772725083.db2.gz FHAXGAAETBKULZ-HNNXBMFYSA-N 1 0 322.365 0.884 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001165437289 772737321 /nfs/dbraw/zinc/73/73/21/772737321.db2.gz QLYIQNLJCDCNDK-SECBINFHSA-N 1 0 314.729 0.903 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)n1 ZINC001166702126 772844133 /nfs/dbraw/zinc/84/41/33/772844133.db2.gz VQADKYYFAKZOKD-SECBINFHSA-N 1 0 301.310 0.783 20 5 DCBDRO COc1nc(N2CC[C@H]([NH3+])C(F)(F)C2)nc(OC)c1[N+](=O)[O-] ZINC001166960040 772889762 /nfs/dbraw/zinc/88/97/62/772889762.db2.gz GLVAYNVWPAWLFE-LURJTMIESA-N 1 0 319.268 0.575 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001166963316 772890534 /nfs/dbraw/zinc/89/05/34/772890534.db2.gz JWEASSBBGQFFNS-PELKAZGASA-N 1 0 317.305 0.617 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(N(C2C[NH2+]C2)S(C)(=O)=O)nc1Cl ZINC001166967158 772891989 /nfs/dbraw/zinc/89/19/89/772891989.db2.gz BGMFYQXRJBEGST-UHFFFAOYSA-N 1 0 320.758 0.689 20 5 DCBDRO NC(=O)[C@@H](C1CC1)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC001197087492 773687959 /nfs/dbraw/zinc/68/79/59/773687959.db2.gz XHLFXIAAMCVSKL-CYBMUJFWSA-N 1 0 307.354 0.767 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001216474341 774118230 /nfs/dbraw/zinc/11/82/30/774118230.db2.gz LIJANMNJFPFZSG-NSHDSACASA-N 1 0 322.369 0.087 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC001202748480 775019822 /nfs/dbraw/zinc/01/98/22/775019822.db2.gz AYTSIYDIFVKCKU-LBPRGKRZSA-N 1 0 305.338 0.954 20 5 DCBDRO CCOC(=O)c1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)o1 ZINC001223087314 775461232 /nfs/dbraw/zinc/46/12/32/775461232.db2.gz IPMQKDPTIDNUQT-LLVKDONJSA-N 1 0 314.358 0.957 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc(C(F)(F)F)n1 ZINC001225708948 775709271 /nfs/dbraw/zinc/70/92/71/775709271.db2.gz RUJSUJCGSPJCOO-MRVPVSSYSA-N 1 0 308.280 0.858 20 5 DCBDRO CC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(C(N)=O)c1 ZINC001229331728 776182179 /nfs/dbraw/zinc/18/21/79/776182179.db2.gz ANOKOBDKMBOIBL-GFCCVEGCSA-O 1 0 323.369 0.351 20 5 DCBDRO Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cn1 ZINC001273084368 945242663 /nfs/dbraw/zinc/24/26/63/945242663.db2.gz LNGFUTNHEOWXFT-CHWSQXEVSA-N 1 0 319.365 0.579 20 5 DCBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CNC(C)=O ZINC001482907637 941704414 /nfs/dbraw/zinc/70/44/14/941704414.db2.gz SALPZLLEQWQSTI-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO CCN(CC[NH2+]CC(=O)NC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482925006 941713426 /nfs/dbraw/zinc/71/34/26/941713426.db2.gz PMJSFMBKNTYBFK-GHMZBOCLSA-N 1 0 314.386 0.004 20 5 DCBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CNCCN2)c([N+](=O)[O-])c1 ZINC001246488279 945418639 /nfs/dbraw/zinc/41/86/39/945418639.db2.gz JLDSDOGKKCPDJI-WCQYABFASA-N 1 0 308.382 0.685 20 5 DCBDRO CN(CCCC[NH+](C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319375201 945571500 /nfs/dbraw/zinc/57/15/00/945571500.db2.gz BUAVHYMIVTYWSW-UHFFFAOYSA-N 1 0 310.354 0.557 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]CC[C@H]2O)n1 ZINC001247757322 945573805 /nfs/dbraw/zinc/57/38/05/945573805.db2.gz OCGNHGVZXDZWQX-IONNQARKSA-N 1 0 309.257 0.617 20 5 DCBDRO NC(=O)COC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001319397635 945577307 /nfs/dbraw/zinc/57/73/07/945577307.db2.gz UPTBZGZRJLKULR-CQSZACIVSA-N 1 0 323.349 0.595 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCC[NH+]1CCCC1 ZINC001319590849 945626854 /nfs/dbraw/zinc/62/68/54/945626854.db2.gz AKCSNMOBZJKXSE-UHFFFAOYSA-N 1 0 308.338 0.359 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001320399252 945858931 /nfs/dbraw/zinc/85/89/31/945858931.db2.gz MYJJKDFAKIETHM-NSHDSACASA-N 1 0 324.385 0.084 20 5 DCBDRO CC(C)(C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001322199520 946607282 /nfs/dbraw/zinc/60/72/82/946607282.db2.gz JHZVODXASGJZCL-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO CCN(CC[NH2+]Cc1cc(OC)ccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273373829 946905687 /nfs/dbraw/zinc/90/56/87/946905687.db2.gz FKFWNLZLKQGXSM-ZIAGYGMSSA-N 1 0 322.365 0.694 20 5 DCBDRO Cc1nc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-] ZINC001324486396 947440100 /nfs/dbraw/zinc/44/01/00/947440100.db2.gz MQAXPAWGDSFAFU-WCQYABFASA-N 1 0 307.354 0.729 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001326865575 948307657 /nfs/dbraw/zinc/30/76/57/948307657.db2.gz AWEMABLVYSGXML-UHFFFAOYSA-N 1 0 322.365 0.573 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001327436878 948511306 /nfs/dbraw/zinc/51/13/06/948511306.db2.gz AUHLTIUADAVZTN-SECBINFHSA-N 1 0 308.338 0.956 20 5 DCBDRO COCC[N@H+](C)C[C@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327576127 948558497 /nfs/dbraw/zinc/55/84/97/948558497.db2.gz VPSRQBVLWZRBNW-HNNXBMFYSA-N 1 0 309.366 0.850 20 5 DCBDRO CC/C=C\CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001265258165 949505304 /nfs/dbraw/zinc/50/53/04/949505304.db2.gz AURMDNHYTIBGTN-LPUOJRKPSA-N 1 0 324.425 0.742 20 5 DCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001329491518 949638707 /nfs/dbraw/zinc/63/87/07/949638707.db2.gz UCFSEZPPZHACBA-QWRGUYRKSA-N 1 0 308.338 0.390 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001329823522 949900911 /nfs/dbraw/zinc/90/09/11/949900911.db2.gz XRSKNPJEDHXOEG-GHMZBOCLSA-N 1 0 322.365 0.805 20 5 DCBDRO C[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[NH2+]CCO1 ZINC001333336007 952011907 /nfs/dbraw/zinc/01/19/07/952011907.db2.gz KMIJMPQYLXLHMS-OAHLLOKOSA-N 1 0 305.334 0.858 20 5 DCBDRO O=C(NC[C@@H]1COCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001335215214 952488565 /nfs/dbraw/zinc/48/85/65/952488565.db2.gz BDSCUSHEUXIQQW-CYBMUJFWSA-N 1 0 320.349 0.651 20 5 DCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001335283414 952511354 /nfs/dbraw/zinc/51/13/54/952511354.db2.gz QSAMQLPNVJBECV-GFCCVEGCSA-N 1 0 320.349 0.074 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001337114189 952813662 /nfs/dbraw/zinc/81/36/62/952813662.db2.gz VVVLOLJAIWKPGX-AWEZNQCLSA-N 1 0 307.354 0.784 20 5 DCBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001338673232 953042225 /nfs/dbraw/zinc/04/22/25/953042225.db2.gz PAAHWVNABOSBIS-QMTHXVAHSA-N 1 0 320.349 0.975 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCNCC[NH2+]CC2)c1C ZINC001342624261 953299218 /nfs/dbraw/zinc/29/92/18/953299218.db2.gz XPAYJEYUVUYPIL-UHFFFAOYSA-N 1 0 306.366 0.847 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH3+])(CO)CC2)n1 ZINC001346070171 953795547 /nfs/dbraw/zinc/79/55/47/953795547.db2.gz OAZMBMLDOMMUOU-UHFFFAOYSA-N 1 0 310.310 0.066 20 5 DCBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001356349890 956838832 /nfs/dbraw/zinc/83/88/32/956838832.db2.gz VSWHCONOLXJZGW-LBPRGKRZSA-N 1 0 324.385 0.233 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001357257618 957239994 /nfs/dbraw/zinc/23/99/94/957239994.db2.gz BBZYFTKXWJYTKU-HZSPNIEDSA-N 1 0 305.334 0.945 20 5 DCBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001305874083 960113975 /nfs/dbraw/zinc/11/39/75/960113975.db2.gz MPNMVGPPQKZSRN-IQJOONFLSA-N 1 0 307.354 0.950 20 5 DCBDRO COC(=O)[C@@]1(O)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001308034501 960165566 /nfs/dbraw/zinc/16/55/66/960165566.db2.gz REFMTTBBAMIIHF-OAHLLOKOSA-N 1 0 324.333 0.974 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001468291272 1016240430 /nfs/dbraw/zinc/24/04/30/1016240430.db2.gz GYOSMDTZCDSCJT-LBPRGKRZSA-N 1 0 322.365 0.754 20 5 DCBDRO CNS(=O)(=O)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001474660779 1017027352 /nfs/dbraw/zinc/02/73/52/1017027352.db2.gz FGCNAOVOBSHLHU-UHFFFAOYSA-N 1 0 317.371 0.024 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@]12CC[N@H+](C1)CCC2 ZINC001535857611 1011989166 /nfs/dbraw/zinc/98/91/66/1011989166.db2.gz YSSVTVRQDPSGPL-AWEZNQCLSA-N 1 0 307.354 0.844 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)[C@H]2C1 ZINC001559303951 1012419358 /nfs/dbraw/zinc/41/93/58/1012419358.db2.gz JQEXICGFRPOGHD-KPXOXKRLSA-N 1 0 305.338 0.841 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001543391291 1012516782 /nfs/dbraw/zinc/51/67/82/1012516782.db2.gz UASBXVRVVVGHOB-NSHDSACASA-N 1 0 320.349 0.357 20 5 DCBDRO CON1CCC([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001460200635 1012873501 /nfs/dbraw/zinc/87/35/01/1012873501.db2.gz AICDMNCYEJVZRF-ZDUSSCGKSA-N 1 0 313.358 0.110 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001522263493 1017474875 /nfs/dbraw/zinc/47/48/75/1017474875.db2.gz FELKLQSVNCBPFG-JTQLQIEISA-N 1 0 313.379 0.969 20 5 DCBDRO CCN(CC[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497391048 1018105964 /nfs/dbraw/zinc/10/59/64/1018105964.db2.gz MZVUIPJSWBYHDF-CHWSQXEVSA-N 1 0 310.329 0.824 20 5 DCBDRO O=C(NCC1([NH2+]C/C=C\Cl)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001500570692 1018496559 /nfs/dbraw/zinc/49/65/59/1018496559.db2.gz JOMPHKHDFDZDJW-UGJREKFNSA-N 1 0 317.773 0.659 20 5 DCBDRO COc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001498545077 1019214069 /nfs/dbraw/zinc/21/40/69/1019214069.db2.gz DRQUEHQRFCTFLF-GHMZBOCLSA-N 1 0 312.326 0.287 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000302428586 529932724 /nfs/dbraw/zinc/93/27/24/529932724.db2.gz ODZKMACYEJFMDR-NSHDSACASA-N 1 0 322.365 0.457 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272634816 210038639 /nfs/dbraw/zinc/03/86/39/210038639.db2.gz XKLOWKJSLCQPST-YPMHNXCESA-N 1 0 322.369 0.527 20 5 DCBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000122746545 290816609 /nfs/dbraw/zinc/81/66/09/290816609.db2.gz JHMUJJDCKFUXTD-MRVPVSSYSA-N 1 0 303.315 0.716 20 5 DCBDRO CCOc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000236904787 202062874 /nfs/dbraw/zinc/06/28/74/202062874.db2.gz AMBOHMZLJIBPDS-UHFFFAOYSA-N 1 0 322.365 0.629 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H](C)C[NH3+] ZINC000179186980 198995801 /nfs/dbraw/zinc/99/58/01/198995801.db2.gz AGQHQPGIXCYTBX-NXEZZACHSA-N 1 0 308.338 0.519 20 5 DCBDRO COc1ccccc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000323788018 291259005 /nfs/dbraw/zinc/25/90/05/291259005.db2.gz BYIGVIRHAUWOSY-CQSZACIVSA-N 1 0 320.349 0.993 20 5 DCBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566119787 291272457 /nfs/dbraw/zinc/27/24/57/291272457.db2.gz DBEJRHMGNKZZPE-ZWNOBZJWSA-N 1 0 308.342 0.107 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000419756570 239952650 /nfs/dbraw/zinc/95/26/50/239952650.db2.gz GTFPQCRSOYNSPI-LBPRGKRZSA-N 1 0 320.349 0.388 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000420437394 240030293 /nfs/dbraw/zinc/03/02/93/240030293.db2.gz CJHNUVOUNWLIHU-SNVBAGLBSA-N 1 0 321.305 0.870 20 5 DCBDRO CCn1cc(S(=O)(=O)NCCC[NH2+]C2CC2)c([N+](=O)[O-])n1 ZINC000420452006 240034310 /nfs/dbraw/zinc/03/43/10/240034310.db2.gz RWMILWXLDKEVKZ-UHFFFAOYSA-N 1 0 317.371 0.232 20 5 DCBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1cc([N+](=O)[O-])n[nH]1 ZINC000423660920 240233084 /nfs/dbraw/zinc/23/30/84/240233084.db2.gz DDKTWEMKUGVQIO-GFCCVEGCSA-N 1 0 301.306 0.935 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000567111168 291337699 /nfs/dbraw/zinc/33/76/99/291337699.db2.gz MAOXQCZRGNXRTC-XQQFMLRXSA-N 1 0 308.334 0.861 20 5 DCBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000567161025 291340280 /nfs/dbraw/zinc/34/02/80/291340280.db2.gz JAWRNEVOOVQIQW-UMNHJUIQSA-N 1 0 312.326 0.084 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000567166202 291340507 /nfs/dbraw/zinc/34/05/07/291340507.db2.gz SMXTWYAJIHUIAO-VIFPVBQESA-N 1 0 317.371 0.171 20 5 DCBDRO CCn1cc(S(=O)(=O)NCCC[NH2+]C(C)C)c([N+](=O)[O-])n1 ZINC000567470897 291356949 /nfs/dbraw/zinc/35/69/49/291356949.db2.gz UETIOYUWOGDLDN-UHFFFAOYSA-N 1 0 319.387 0.478 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000567880955 291387358 /nfs/dbraw/zinc/38/73/58/291387358.db2.gz PWISBJYSTJKUNE-WDEREUQCSA-N 1 0 322.365 0.795 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2c3ccccc3C[C@H]2O)c1 ZINC000567874327 291386973 /nfs/dbraw/zinc/38/69/73/291386973.db2.gz LSPAHRISZDBLQM-YUELXQCFSA-N 1 0 318.333 0.400 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000569119835 291462983 /nfs/dbraw/zinc/46/29/83/291462983.db2.gz OXMHSVBPUGTBHV-NXEZZACHSA-N 1 0 314.367 0.786 20 5 DCBDRO O=C(NCC[NH+]1CCSCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000264838538 204196625 /nfs/dbraw/zinc/19/66/25/204196625.db2.gz ICWDSNCSOVYOIB-UHFFFAOYSA-N 1 0 312.351 0.474 20 5 DCBDRO CS[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271769967 209197486 /nfs/dbraw/zinc/19/74/86/209197486.db2.gz IMMOUIITIGCPAA-SCZZXKLOSA-N 1 0 313.383 0.446 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000021515291 182277472 /nfs/dbraw/zinc/27/74/72/182277472.db2.gz OGNAHSPOFKOTIY-UHFFFAOYSA-N 1 0 315.351 0.715 20 5 DCBDRO O=C([C@@H]1CCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237941805 284470553 /nfs/dbraw/zinc/47/05/53/284470553.db2.gz IHLFWCFWBKYWCL-LBPRGKRZSA-N 1 0 304.350 0.995 20 5 DCBDRO [NH3+]CCNS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000040806947 183136184 /nfs/dbraw/zinc/13/61/84/183136184.db2.gz QEEMUZUMBCRATH-UHFFFAOYSA-N 1 0 324.156 0.594 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415296590 533029576 /nfs/dbraw/zinc/02/95/76/533029576.db2.gz JAUZNKQEVIJYPT-VIFPVBQESA-N 1 0 310.285 0.493 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000339034053 253023376 /nfs/dbraw/zinc/02/33/76/253023376.db2.gz PLMDDBTUNYJXGA-JTQLQIEISA-N 1 0 310.358 0.328 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000341578264 253397227 /nfs/dbraw/zinc/39/72/27/253397227.db2.gz DRUTZACGRYQYTN-MNOVXSKESA-N 1 0 306.322 0.109 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(CO)CCOCC1 ZINC000346005028 253998177 /nfs/dbraw/zinc/99/81/77/253998177.db2.gz ZLUPYMISZAQMQC-UHFFFAOYSA-N 1 0 323.349 0.973 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347331670 254149235 /nfs/dbraw/zinc/14/92/35/254149235.db2.gz FUZMAWASOJNLRW-MNOVXSKESA-N 1 0 324.385 0.777 20 5 DCBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000347380382 254152299 /nfs/dbraw/zinc/15/22/99/254152299.db2.gz QSIMWPDQPAKGTH-LBPRGKRZSA-N 1 0 322.369 0.377 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000350099337 254310718 /nfs/dbraw/zinc/31/07/18/254310718.db2.gz NEEFCHNYKGEBQM-ZDUSSCGKSA-N 1 0 314.363 0.806 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351578325 254348744 /nfs/dbraw/zinc/34/87/44/254348744.db2.gz XFQLDYLHSIAQFC-UHFFFAOYSA-N 1 0 312.301 0.692 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353399877 254454476 /nfs/dbraw/zinc/45/44/76/254454476.db2.gz CKWBCWMCDWBTCE-LLVKDONJSA-N 1 0 308.342 0.034 20 5 DCBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000340225129 131230093 /nfs/dbraw/zinc/23/00/93/131230093.db2.gz GIAMNSSONZLJLM-AAEUAGOBSA-N 1 0 309.322 0.155 20 5 DCBDRO Nc1c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000289330498 131375186 /nfs/dbraw/zinc/37/51/86/131375186.db2.gz VOBXDABWIKXFTQ-LLVKDONJSA-N 1 0 319.365 0.297 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000046946370 395782951 /nfs/dbraw/zinc/78/29/51/395782951.db2.gz XVBCUBREQKLLTD-NSHDSACASA-N 1 0 310.354 0.944 20 5 DCBDRO CNC(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000270824324 395812818 /nfs/dbraw/zinc/81/28/18/395812818.db2.gz ZECVEJNPLHMAAB-UHFFFAOYSA-N 1 0 324.337 0.610 20 5 DCBDRO C[NH2+]C[C@H](C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237303972 395909608 /nfs/dbraw/zinc/90/96/08/395909608.db2.gz IUGZGBQYIXXESA-WDEREUQCSA-N 1 0 307.354 0.858 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000230736201 395881833 /nfs/dbraw/zinc/88/18/33/395881833.db2.gz OWQQUYISRKOTKS-LBPRGKRZSA-N 1 0 315.351 0.634 20 5 DCBDRO C[NH+](C)C1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000134925853 395935538 /nfs/dbraw/zinc/93/55/38/395935538.db2.gz WJIYVGDDOWAVPE-UHFFFAOYSA-N 1 0 306.322 0.097 20 5 DCBDRO CSC[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135449480 395940378 /nfs/dbraw/zinc/94/03/78/395940378.db2.gz UVKAIVBZYDZEOK-PWSUYJOCSA-N 1 0 300.384 0.980 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000274627228 395962696 /nfs/dbraw/zinc/96/26/96/395962696.db2.gz HFZCXJURSSLOFR-UHFFFAOYSA-N 1 0 324.381 0.751 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000151059893 395977722 /nfs/dbraw/zinc/97/77/22/395977722.db2.gz XGWNIAPUURSXOI-LBPRGKRZSA-N 1 0 322.369 0.575 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000151322895 395983987 /nfs/dbraw/zinc/98/39/87/395983987.db2.gz KHPYNHOYUWJOQD-MNOVXSKESA-N 1 0 322.369 0.716 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248651271 395993050 /nfs/dbraw/zinc/99/30/50/395993050.db2.gz UXYJNXJCLAYBDE-SDDRHHMPSA-N 1 0 307.354 0.686 20 5 DCBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000067807066 396033782 /nfs/dbraw/zinc/03/37/82/396033782.db2.gz AIOXXPFGBBVUOW-VIFPVBQESA-N 1 0 309.322 0.935 20 5 DCBDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000277018997 396044289 /nfs/dbraw/zinc/04/42/89/396044289.db2.gz MOOMYYQRFCREQE-UHFFFAOYSA-N 1 0 316.383 0.517 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261629734 396051236 /nfs/dbraw/zinc/05/12/36/396051236.db2.gz HLJKPGGGQHIKMX-GHMZBOCLSA-N 1 0 311.363 0.825 20 5 DCBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000261782739 396064819 /nfs/dbraw/zinc/06/48/19/396064819.db2.gz PNAUTXKEGONCIZ-JTQLQIEISA-N 1 0 305.342 0.208 20 5 DCBDRO COC(=O)COc1ccc(CN2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261827382 396070507 /nfs/dbraw/zinc/07/05/07/396070507.db2.gz ITUGNYBNMCQHEQ-LLVKDONJSA-N 1 0 309.322 0.680 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261973804 396086171 /nfs/dbraw/zinc/08/61/71/396086171.db2.gz ZHWGDRWUBLCUDD-OAHLLOKOSA-N 1 0 318.377 0.643 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000278062626 396104355 /nfs/dbraw/zinc/10/43/55/396104355.db2.gz WKSIZLHUUHBSHP-GFCCVEGCSA-N 1 0 307.354 0.924 20 5 DCBDRO C[C@@H]1CCSCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279322878 396166049 /nfs/dbraw/zinc/16/60/49/396166049.db2.gz SMEUYUPFPFISEH-PWSUYJOCSA-N 1 0 300.384 0.980 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000178624401 396202297 /nfs/dbraw/zinc/20/22/97/396202297.db2.gz WKYOQEVFUVEOAA-UWVGGRQHSA-N 1 0 308.338 0.567 20 5 DCBDRO C[C@@]1(C(N)=O)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280492412 396204382 /nfs/dbraw/zinc/20/43/82/396204382.db2.gz BJPBATWZDPGOSR-SWLSCSKDSA-N 1 0 323.349 0.532 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000077817296 396234623 /nfs/dbraw/zinc/23/46/23/396234623.db2.gz XEFOUJLLMSWDBC-NSHDSACASA-N 1 0 320.349 0.910 20 5 DCBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1c([N+](=O)[O-])ncn1C ZINC000263689219 396223487 /nfs/dbraw/zinc/22/34/87/396223487.db2.gz JQEKCYFECBVWHV-LLVKDONJSA-N 1 0 324.385 0.683 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000179187000 396223918 /nfs/dbraw/zinc/22/39/18/396223918.db2.gz AGQHQPGIXCYTBX-ZJUUUORDSA-N 1 0 308.338 0.519 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000185091127 396316901 /nfs/dbraw/zinc/31/69/01/396316901.db2.gz CIIGJVOKEJWKTC-NEPJUHHUSA-N 1 0 310.310 0.459 20 5 DCBDRO CNC(=O)CN1CCC(Nc2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264504352 396286272 /nfs/dbraw/zinc/28/62/72/396286272.db2.gz WIFUXRPVBYORBQ-UHFFFAOYSA-N 1 0 307.354 0.921 20 5 DCBDRO CN(C(=O)C[NH2+]C1(CO)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000264593905 396294662 /nfs/dbraw/zinc/29/46/62/396294662.db2.gz BBDKHNHRDNOOLT-UHFFFAOYSA-N 1 0 323.349 0.689 20 5 DCBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000285424295 396350212 /nfs/dbraw/zinc/35/02/12/396350212.db2.gz DWLHBKCYXVIMKK-RAIGVLPGSA-N 1 0 312.322 0.026 20 5 DCBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000192637918 396434279 /nfs/dbraw/zinc/43/42/79/396434279.db2.gz JSIMWHKQFKKAKV-CQSZACIVSA-N 1 0 304.306 0.769 20 5 DCBDRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000188206801 396379692 /nfs/dbraw/zinc/37/96/92/396379692.db2.gz QCDIYAQKSJDWDQ-SMDDNHRTSA-N 1 0 322.340 0.943 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000193281696 396448042 /nfs/dbraw/zinc/44/80/42/396448042.db2.gz QNHORGQIIQAKMT-SSDOTTSWSA-N 1 0 321.330 0.710 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]1CN1CCOCC1 ZINC000291174977 396480385 /nfs/dbraw/zinc/48/03/85/396480385.db2.gz JFOUQAULVZJWSF-JTQLQIEISA-N 1 0 309.326 0.255 20 5 DCBDRO C[NH+]1CCN(Cc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)CC1 ZINC000594653381 396494492 /nfs/dbraw/zinc/49/44/92/396494492.db2.gz WXBDWSWIHZUXCI-UHFFFAOYSA-N 1 0 316.365 0.982 20 5 DCBDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000581126360 396528081 /nfs/dbraw/zinc/52/80/81/396528081.db2.gz GUDQBSFVTAMDOI-XBFCOCLRSA-N 1 0 312.370 0.945 20 5 DCBDRO CN1CCC2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)C1=O ZINC000373147868 396569627 /nfs/dbraw/zinc/56/96/27/396569627.db2.gz QFJBRVUJEDEAJW-UHFFFAOYSA-N 1 0 307.354 0.736 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595935621 396686744 /nfs/dbraw/zinc/68/67/44/396686744.db2.gz GVHVOACGEOQZEN-STQMWFEESA-N 1 0 309.322 0.454 20 5 DCBDRO O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000295510225 396698495 /nfs/dbraw/zinc/69/84/95/396698495.db2.gz PVLGHTWSZUENNE-JTQLQIEISA-N 1 0 324.337 0.272 20 5 DCBDRO COc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000596014017 396707807 /nfs/dbraw/zinc/70/78/07/396707807.db2.gz KKCXYWBQFAVCGJ-ZJUUUORDSA-N 1 0 306.322 0.352 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCN2C1=O ZINC000596014316 396708345 /nfs/dbraw/zinc/70/83/45/396708345.db2.gz NNWFXYIEKCQEKU-IONNQARKSA-N 1 0 311.729 0.391 20 5 DCBDRO C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596063606 396713037 /nfs/dbraw/zinc/71/30/37/396713037.db2.gz WBIKXCAFEFLCND-UHFFFAOYSA-N 1 0 307.354 0.353 20 5 DCBDRO C[C@@H](CCN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302239262 396718795 /nfs/dbraw/zinc/71/87/95/396718795.db2.gz HIMITVUJGJHOOH-JTQLQIEISA-N 1 0 309.374 0.405 20 5 DCBDRO O=CN1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000294210797 396660627 /nfs/dbraw/zinc/66/06/27/396660627.db2.gz MOGXHCIQDXLART-AWEZNQCLSA-N 1 0 323.349 0.499 20 5 DCBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000610925097 396785384 /nfs/dbraw/zinc/78/53/84/396785384.db2.gz MSXZXJMPESDQGW-NSHDSACASA-N 1 0 308.338 0.906 20 5 DCBDRO C[NH+](C)C1(CNc2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596274294 396750848 /nfs/dbraw/zinc/75/08/48/396750848.db2.gz DRGZFBVXNPFHKO-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@]1(O)CCOC1)OCCO2 ZINC000611108429 396818226 /nfs/dbraw/zinc/81/82/26/396818226.db2.gz QHUFILBGXMPOIY-AWEZNQCLSA-N 1 0 310.306 0.607 20 5 DCBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000563989402 396801735 /nfs/dbraw/zinc/80/17/35/396801735.db2.gz HWWVLAPOHXYFSV-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO CN(C(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000590600406 396812561 /nfs/dbraw/zinc/81/25/61/396812561.db2.gz WFRMAOWMMNSDSV-KBPBESRZSA-N 1 0 322.365 0.164 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000600533587 396884993 /nfs/dbraw/zinc/88/49/93/396884993.db2.gz LDVFFZKYNMQGEG-SNVBAGLBSA-N 1 0 323.305 0.120 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591348035 396904157 /nfs/dbraw/zinc/90/41/57/396904157.db2.gz XSHAHMQWDDFJLN-CYBMUJFWSA-N 1 0 307.354 0.298 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000591348318 396904176 /nfs/dbraw/zinc/90/41/76/396904176.db2.gz QKSDMFALDIFKSH-MFKMUULPSA-N 1 0 308.338 0.852 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591347032 396904459 /nfs/dbraw/zinc/90/44/59/396904459.db2.gz AABSXXBDLDNTRN-RISCZKNCSA-N 1 0 322.365 0.895 20 5 DCBDRO [NH3+]C1(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000591374543 396911424 /nfs/dbraw/zinc/91/14/24/396911424.db2.gz LYLOBGTUMOYTIX-UHFFFAOYSA-N 1 0 306.322 0.209 20 5 DCBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1COCCN1 ZINC000600678550 396915621 /nfs/dbraw/zinc/91/56/21/396915621.db2.gz SSSLSEGYSWQPDQ-AAEUAGOBSA-N 1 0 322.365 0.890 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000591415927 396915853 /nfs/dbraw/zinc/91/58/53/396915853.db2.gz WDVCSNLQRPEZHX-UHFFFAOYSA-N 1 0 320.349 0.388 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591448867 396922523 /nfs/dbraw/zinc/92/25/23/396922523.db2.gz OVXFKXLIFPQBOG-GWCFXTLKSA-N 1 0 304.350 0.878 20 5 DCBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000591680742 396975406 /nfs/dbraw/zinc/97/54/06/396975406.db2.gz DAQFUJABCJLJKG-GFCCVEGCSA-N 1 0 319.321 0.616 20 5 DCBDRO CC1(C)C[NH2+][C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000591686504 396977110 /nfs/dbraw/zinc/97/71/10/396977110.db2.gz NPMNWYRGVMJWTC-LBPRGKRZSA-N 1 0 307.354 0.953 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592310057 397149413 /nfs/dbraw/zinc/14/94/13/397149413.db2.gz AFACYFUZNUMFKF-GXFFZTMASA-N 1 0 309.322 0.548 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000592312285 397150436 /nfs/dbraw/zinc/15/04/36/397150436.db2.gz QRHUHJNYAQNTFO-BXUZGUMPSA-N 1 0 322.365 0.971 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC12CCC[NH+]1CCC2 ZINC000619574100 397151153 /nfs/dbraw/zinc/15/11/53/397151153.db2.gz OUDMEIFCOXELSI-UHFFFAOYSA-N 1 0 320.349 0.501 20 5 DCBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000619578164 397153192 /nfs/dbraw/zinc/15/31/92/397153192.db2.gz BBKMMXKZVDSWRO-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO CC(=O)NCC[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573321170 397157193 /nfs/dbraw/zinc/15/71/93/397157193.db2.gz ACTUMKJZARPMBM-GFCCVEGCSA-N 1 0 311.338 0.402 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000592367273 397161830 /nfs/dbraw/zinc/16/18/30/397161830.db2.gz NEVUKACQTQVZRN-SECBINFHSA-N 1 0 300.340 0.410 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000592428649 397173931 /nfs/dbraw/zinc/17/39/31/397173931.db2.gz KWJWTNMAPRKPAI-BONVTDFDSA-N 1 0 323.349 0.914 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592474886 397185890 /nfs/dbraw/zinc/18/58/90/397185890.db2.gz JLTKYXFXBIHALP-BXUZGUMPSA-N 1 0 322.365 0.890 20 5 DCBDRO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1[NH3+] ZINC000592545787 397207855 /nfs/dbraw/zinc/20/78/55/397207855.db2.gz WRUZRNVOYVFYFY-PWSUYJOCSA-N 1 0 308.338 0.342 20 5 DCBDRO COC(=O)c1ccnc(N2CC(N3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000598630383 397265036 /nfs/dbraw/zinc/26/50/36/397265036.db2.gz JRLDPRYOYILSJY-SNVBAGLBSA-N 1 0 322.321 0.032 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598915937 397307799 /nfs/dbraw/zinc/30/77/99/397307799.db2.gz QVYSGDDJCSFVNI-AOOOYVTPSA-N 1 0 306.322 0.742 20 5 DCBDRO C[C@@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577289608 397320717 /nfs/dbraw/zinc/32/07/17/397320717.db2.gz APSBHNRQMVSCRN-RKDXNWHRSA-N 1 0 300.340 0.490 20 5 DCBDRO C[NH+](C)CC[C@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000593902094 397472223 /nfs/dbraw/zinc/47/22/23/397472223.db2.gz NHMBODYVLCWOBF-ZDUSSCGKSA-N 1 0 309.370 0.402 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000593919544 397480692 /nfs/dbraw/zinc/48/06/92/397480692.db2.gz UJCOTDDXDBIWBD-ADEWGFFLSA-N 1 0 323.353 0.819 20 5 DCBDRO CN1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCC1=O ZINC000593994741 397490605 /nfs/dbraw/zinc/49/06/05/397490605.db2.gz IUHHOUCVQJEELS-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH2+]C(CO)CO)o2)c1 ZINC000594001894 397491902 /nfs/dbraw/zinc/49/19/02/397491902.db2.gz CIMTXJPIFNWBSR-UHFFFAOYSA-N 1 0 307.306 0.735 20 5 DCBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000579121447 397526049 /nfs/dbraw/zinc/52/60/49/397526049.db2.gz FRQLENAXSPBKCY-GXFFZTMASA-N 1 0 323.353 0.676 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000579860913 397596283 /nfs/dbraw/zinc/59/62/83/397596283.db2.gz XDDYXKSIBZPLAH-VIFPVBQESA-N 1 0 308.294 0.020 20 5 DCBDRO CN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000604103799 397631339 /nfs/dbraw/zinc/63/13/39/397631339.db2.gz TWOQERHMSOPTLE-UHFFFAOYSA-N 1 0 309.370 0.680 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CCC([NH3+])CC2)cc([N+](=O)[O-])c1 ZINC000604496120 397641011 /nfs/dbraw/zinc/64/10/11/397641011.db2.gz LLWBTWYURIEEKR-UHFFFAOYSA-N 1 0 307.306 0.945 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000609132860 397761271 /nfs/dbraw/zinc/76/12/71/397761271.db2.gz YWYUJBIDSAOROX-UHFFFAOYSA-N 1 0 322.369 0.073 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000609977523 397799387 /nfs/dbraw/zinc/79/93/87/397799387.db2.gz QIDHSZCWKHZHKH-GFCCVEGCSA-N 1 0 322.369 0.663 20 5 DCBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000126194211 158264101 /nfs/dbraw/zinc/26/41/01/158264101.db2.gz ZWWYYVYHYWHOQX-GFCCVEGCSA-N 1 0 322.365 0.747 20 5 DCBDRO C[NH2+]C[C@@H](C)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000133240945 158317166 /nfs/dbraw/zinc/31/71/66/158317166.db2.gz BIJRYBVMNAKXFV-MRVPVSSYSA-N 1 0 302.356 0.510 20 5 DCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000165650887 158364441 /nfs/dbraw/zinc/36/44/41/158364441.db2.gz HZCIQGQJQUTZHG-GFCCVEGCSA-N 1 0 315.351 0.084 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000171451823 158383390 /nfs/dbraw/zinc/38/33/90/158383390.db2.gz VMWPETGFZIQVPG-NSHDSACASA-N 1 0 307.354 0.947 20 5 DCBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261872378 158749188 /nfs/dbraw/zinc/74/91/88/158749188.db2.gz LKXPAIAKWQGIKP-GFCCVEGCSA-N 1 0 322.340 0.854 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000318609846 159006465 /nfs/dbraw/zinc/00/64/65/159006465.db2.gz QNNZNIKFTCESCD-JTQLQIEISA-N 1 0 305.338 0.882 20 5 DCBDRO NC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000348279103 159238641 /nfs/dbraw/zinc/23/86/41/159238641.db2.gz OKJKONRERJACDS-LBPRGKRZSA-N 1 0 311.342 0.052 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000362888528 159273127 /nfs/dbraw/zinc/27/31/27/159273127.db2.gz JVCOKFANGXNWEL-JSGCOSHPSA-N 1 0 320.353 0.686 20 5 DCBDRO O=C1CO[C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]2N1 ZINC000366755065 159283137 /nfs/dbraw/zinc/28/31/37/159283137.db2.gz GVUHPTLBSBIGJQ-KBPBESRZSA-N 1 0 305.334 0.727 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000367049583 159309011 /nfs/dbraw/zinc/30/90/11/159309011.db2.gz HIZJQLGMECSLDA-ZDUSSCGKSA-N 1 0 323.397 0.873 20 5 DCBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000367626976 159347606 /nfs/dbraw/zinc/34/76/06/159347606.db2.gz QULXUVXRRPRWAJ-ONGXEEELSA-N 1 0 317.342 0.915 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000368273360 159385133 /nfs/dbraw/zinc/38/51/33/159385133.db2.gz QFDGYMCPUDPGIW-ZFWWWQNUSA-N 1 0 324.381 0.901 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000374626991 159742959 /nfs/dbraw/zinc/74/29/59/159742959.db2.gz GPQSWCDZTUVSBY-KGYLQXTDSA-N 1 0 307.354 0.767 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000378230765 159971840 /nfs/dbraw/zinc/97/18/40/159971840.db2.gz QLCJABUYESQKMB-ZDUSSCGKSA-N 1 0 307.354 0.782 20 5 DCBDRO CC(C)(O)C[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000131747880 287002194 /nfs/dbraw/zinc/00/21/94/287002194.db2.gz SCTRXODVYIAJAS-UHFFFAOYSA-N 1 0 324.381 0.145 20 5 DCBDRO C[NH2+]CCCN(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420387599 287294953 /nfs/dbraw/zinc/29/49/53/287294953.db2.gz KOPWSYJLRQWAAZ-UHFFFAOYSA-N 1 0 315.395 0.910 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CC[NH3+])CCO ZINC000342389792 415162729 /nfs/dbraw/zinc/16/27/29/415162729.db2.gz PBVDLWHAPCQMGW-UHFFFAOYSA-N 1 0 310.354 0.485 20 5 DCBDRO C[C@H]([NH3+])CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420411003 287296250 /nfs/dbraw/zinc/29/62/50/287296250.db2.gz BDEQYSHKZHQPKB-JTQLQIEISA-N 1 0 301.368 0.794 20 5 DCBDRO C[NH+](C)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000342541517 415206436 /nfs/dbraw/zinc/20/64/36/415206436.db2.gz UOEPFQNMEZBRCP-UHFFFAOYSA-N 1 0 309.322 0.586 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000332161056 415275784 /nfs/dbraw/zinc/27/57/84/415275784.db2.gz VMUYZPHOKYECFJ-NSHDSACASA-N 1 0 322.369 0.170 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)n1 ZINC000343054017 415426598 /nfs/dbraw/zinc/42/65/98/415426598.db2.gz NTJYGOYZDLJNEW-UWVGGRQHSA-N 1 0 306.322 0.774 20 5 DCBDRO O=C(NCC[N@@H+]1CCCOCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000276102813 415428890 /nfs/dbraw/zinc/42/88/90/415428890.db2.gz WPYZXBNAYPTDFY-UHFFFAOYSA-N 1 0 310.310 0.148 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCC[NH+]1CCCCC1 ZINC000343096288 415447397 /nfs/dbraw/zinc/44/73/97/415447397.db2.gz MPTBLBFOWGSOLX-UHFFFAOYSA-N 1 0 322.365 0.749 20 5 DCBDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000288864717 415697514 /nfs/dbraw/zinc/69/75/14/415697514.db2.gz XZAXOXOOLMEUKP-LLVKDONJSA-N 1 0 309.322 0.534 20 5 DCBDRO CO[C@H](C[NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000289955181 415742069 /nfs/dbraw/zinc/74/20/69/415742069.db2.gz MKHZNXRKRMMEDC-CYBMUJFWSA-N 1 0 310.354 0.795 20 5 DCBDRO CC(C)[NH+](CCN(C)C(=O)Cn1cnc([N+](=O)[O-])n1)C(C)C ZINC000356185365 415874988 /nfs/dbraw/zinc/87/49/88/415874988.db2.gz JGVQDOYZMKLESD-UHFFFAOYSA-N 1 0 312.374 0.764 20 5 DCBDRO CC[NH+]1CCN(CCNc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357314195 416061940 /nfs/dbraw/zinc/06/19/40/416061940.db2.gz KXBPJLGAWFJTMI-UHFFFAOYSA-N 1 0 322.369 0.138 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000357042139 416024786 /nfs/dbraw/zinc/02/47/86/416024786.db2.gz GCTWCHMCWMTQQP-LBPRGKRZSA-N 1 0 313.383 0.495 20 5 DCBDRO CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170792146 416031957 /nfs/dbraw/zinc/03/19/57/416031957.db2.gz GTUGKCRLETXYCV-SNVBAGLBSA-N 1 0 308.338 0.990 20 5 DCBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000345332026 416079276 /nfs/dbraw/zinc/07/92/76/416079276.db2.gz VYVHSMIDCGRPCJ-UHFFFAOYSA-N 1 0 311.386 0.878 20 5 DCBDRO CNC(=O)c1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000301637031 416088715 /nfs/dbraw/zinc/08/87/15/416088715.db2.gz FMFXIHFFJDCXIH-KGLIPLIRSA-N 1 0 320.349 0.474 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000345433399 416095242 /nfs/dbraw/zinc/09/52/42/416095242.db2.gz FVUUYQZYOLZJPM-JTQLQIEISA-N 1 0 310.358 0.074 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415754870 416353561 /nfs/dbraw/zinc/35/35/61/416353561.db2.gz ZZAJOTVTNGYOOZ-QWRGUYRKSA-N 1 0 318.333 0.601 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418864704 416392595 /nfs/dbraw/zinc/39/25/95/416392595.db2.gz IODHMECFUFJDGE-NSHDSACASA-N 1 0 320.349 0.074 20 5 DCBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000583761853 416482389 /nfs/dbraw/zinc/48/23/89/416482389.db2.gz DIZQUYQOQZAMRI-HNNXBMFYSA-N 1 0 319.365 1.130 20 5 DCBDRO Nc1nccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000594236402 416557762 /nfs/dbraw/zinc/55/77/62/416557762.db2.gz NVNIUWZNYFMLBE-ZJUUUORDSA-N 1 0 305.338 0.929 20 5 DCBDRO C[NH+](C)CCn1cc(NC(=O)c2ccnc(N)c2[N+](=O)[O-])cn1 ZINC000594260542 416558144 /nfs/dbraw/zinc/55/81/44/416558144.db2.gz ZWMCYPSYAADNCU-UHFFFAOYSA-N 1 0 319.325 0.582 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1cccnn1 ZINC000584227391 416507971 /nfs/dbraw/zinc/50/79/71/416507971.db2.gz OYEBXMOJZDUJFV-LBPRGKRZSA-N 1 0 304.306 0.914 20 5 DCBDRO CO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584349089 416513591 /nfs/dbraw/zinc/51/35/91/416513591.db2.gz BUVCWVQFJUCCNX-MISXGVKJSA-N 1 0 312.322 0.338 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423943777 416597015 /nfs/dbraw/zinc/59/70/15/416597015.db2.gz GRKHDUBIVCLNGS-GBIKHYSHSA-N 1 0 320.349 0.519 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000423998073 416603361 /nfs/dbraw/zinc/60/33/61/416603361.db2.gz ZJKPTMXJXXRNFB-LBPRGKRZSA-N 1 0 320.349 0.887 20 5 DCBDRO O=[N+]([O-])c1cnc2ccc(NCCC[NH+]3CCC(O)CC3)nn21 ZINC000596084519 416575655 /nfs/dbraw/zinc/57/56/55/416575655.db2.gz AVXWRWCPAXWJNQ-UHFFFAOYSA-N 1 0 320.353 0.896 20 5 DCBDRO CNc1cc2c(nn1)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000610447697 416657247 /nfs/dbraw/zinc/65/72/47/416657247.db2.gz ZAOJRHIKQHMINR-UHFFFAOYSA-N 1 0 303.326 0.681 20 5 DCBDRO COC(=O)CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000441387142 416670977 /nfs/dbraw/zinc/67/09/77/416670977.db2.gz POCRZVJPISNLMK-GFCCVEGCSA-N 1 0 314.342 0.426 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000441605679 416675854 /nfs/dbraw/zinc/67/58/54/416675854.db2.gz ZXDMCEUXLQXJOS-ZJUUUORDSA-N 1 0 308.338 0.424 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000516937918 416760233 /nfs/dbraw/zinc/76/02/33/416760233.db2.gz GTDGZHKZRCKHCW-KBPBESRZSA-N 1 0 304.350 0.647 20 5 DCBDRO COCC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000517129410 416778697 /nfs/dbraw/zinc/77/86/97/416778697.db2.gz LFVNQQYCDBKXBW-ZDUSSCGKSA-N 1 0 312.370 0.949 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000558668000 416784747 /nfs/dbraw/zinc/78/47/47/416784747.db2.gz MOUGNJWKKIWCMV-UHFFFAOYSA-N 1 0 323.397 0.689 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)c([N+](=O)[O-])n1 ZINC000444171175 416810146 /nfs/dbraw/zinc/81/01/46/416810146.db2.gz VVHGAECTKYPFDA-UHFFFAOYSA-N 1 0 319.387 0.430 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000370044755 416875018 /nfs/dbraw/zinc/87/50/18/416875018.db2.gz HIZJQLGMECSLDA-CYBMUJFWSA-N 1 0 323.397 0.873 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ccc(F)cc2)c1 ZINC000517834165 416827310 /nfs/dbraw/zinc/82/73/10/416827310.db2.gz WTGOZADUBWKVCG-ZDUSSCGKSA-N 1 0 324.312 0.960 20 5 DCBDRO COc1cccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000444364069 416835965 /nfs/dbraw/zinc/83/59/65/416835965.db2.gz KRTLKJKZCFXABK-CQSZACIVSA-N 1 0 309.322 0.400 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000428457283 416896191 /nfs/dbraw/zinc/89/61/91/416896191.db2.gz MQOMCAVYXLHEAR-LLVKDONJSA-N 1 0 316.321 0.609 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429032752 416942616 /nfs/dbraw/zinc/94/26/16/416942616.db2.gz YNUFZDDISJOUQS-VIFPVBQESA-N 1 0 309.322 0.762 20 5 DCBDRO CC(C)([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429661700 287340144 /nfs/dbraw/zinc/34/01/44/287340144.db2.gz BNNPBYMATXZQOR-SECBINFHSA-N 1 0 324.337 0.646 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000429558815 416980186 /nfs/dbraw/zinc/98/01/86/416980186.db2.gz VGHMDRFQLKGYBX-GHMZBOCLSA-N 1 0 324.385 0.681 20 5 DCBDRO CC(C)[C@@H](O)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000568089477 417078938 /nfs/dbraw/zinc/07/89/38/417078938.db2.gz YXDLJLXIEFTEFH-CHWSQXEVSA-N 1 0 312.370 0.539 20 5 DCBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449354608 417145386 /nfs/dbraw/zinc/14/53/86/417145386.db2.gz PPWNSQZTRLQKQE-NTZNESFSSA-N 1 0 319.365 0.858 20 5 DCBDRO Cc1cccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000569021056 417205601 /nfs/dbraw/zinc/20/56/01/417205601.db2.gz NCUUPHDNZTWPTB-ZYHUDNBSSA-N 1 0 318.333 0.287 20 5 DCBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569223497 417226797 /nfs/dbraw/zinc/22/67/97/417226797.db2.gz YMWWREXOKYINHA-QWHCGFSZSA-N 1 0 314.386 0.785 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415262991 417350048 /nfs/dbraw/zinc/35/00/48/417350048.db2.gz AGIVFKLDWZAPJS-SECBINFHSA-N 1 0 322.321 0.492 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCSC[C@H]2C2CC2)c1 ZINC000576467315 417611750 /nfs/dbraw/zinc/61/17/50/417611750.db2.gz WQAXXCSQZORCSC-STQMWFEESA-N 1 0 312.395 0.980 20 5 DCBDRO CNc1nccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000579255320 417690257 /nfs/dbraw/zinc/69/02/57/417690257.db2.gz BRIFVTSMJPMIME-CMPLNLGQSA-N 1 0 321.381 1.444 20 5 DCBDRO C[NH+](C)CC(C)(C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000457229576 417697382 /nfs/dbraw/zinc/69/73/82/417697382.db2.gz ZENGJQSXIUOSPI-UHFFFAOYSA-N 1 0 322.365 0.781 20 5 DCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882800 417646913 /nfs/dbraw/zinc/64/69/13/417646913.db2.gz KFXWQRMKHNMPAB-GFCCVEGCSA-N 1 0 321.337 0.059 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299483309 229145401 /nfs/dbraw/zinc/14/54/01/229145401.db2.gz GFZDAPCBICUGMW-CHWSQXEVSA-N 1 0 320.349 0.500 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000237119720 261157857 /nfs/dbraw/zinc/15/78/57/261157857.db2.gz OERLPMACEIPMHF-JTQLQIEISA-N 1 0 311.338 0.954 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000237311141 261159626 /nfs/dbraw/zinc/15/96/26/261159626.db2.gz BLHRNQCURCHCAQ-MNOVXSKESA-N 1 0 322.365 0.685 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000320323534 261177370 /nfs/dbraw/zinc/17/73/70/261177370.db2.gz FPNVJAUNNZXKMV-ZZXKWVIFSA-N 1 0 318.333 0.156 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000394074004 262161647 /nfs/dbraw/zinc/16/16/47/262161647.db2.gz CQLDQBLZTUALJG-KTRBRXNASA-N 1 0 304.350 0.628 20 5 DCBDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000417125203 262246833 /nfs/dbraw/zinc/24/68/33/262246833.db2.gz AYGFOKNUROKDML-RISCZKNCSA-N 1 0 321.381 0.859 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418870996 262294443 /nfs/dbraw/zinc/29/44/43/262294443.db2.gz QHMWGWAYPKSCLF-NSHDSACASA-N 1 0 322.365 0.225 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418925210 262298514 /nfs/dbraw/zinc/29/85/14/262298514.db2.gz QZPNWSBOPSRNNG-ZDUSSCGKSA-N 1 0 322.365 0.353 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000424027076 262477868 /nfs/dbraw/zinc/47/78/68/262477868.db2.gz AYXMYMFQBQMWPW-UHFFFAOYSA-N 1 0 323.349 0.976 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000428977654 262597569 /nfs/dbraw/zinc/59/75/69/262597569.db2.gz LTPAQEZRQBRCEY-JTQLQIEISA-N 1 0 302.294 0.349 20 5 DCBDRO CO[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359230664 271108131 /nfs/dbraw/zinc/10/81/31/271108131.db2.gz YAJDDBMMRHUEJW-STQMWFEESA-N 1 0 323.349 0.938 20 5 DCBDRO CO[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359242353 271111313 /nfs/dbraw/zinc/11/13/13/271111313.db2.gz PPCCLPBIWHOGJP-NWDGAFQWSA-N 1 0 323.349 0.938 20 5 DCBDRO CCn1cc(S(=O)(=O)N(C)[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])n1 ZINC000359997370 271155759 /nfs/dbraw/zinc/15/57/59/271155759.db2.gz APMGVHADNRWTJW-VIFPVBQESA-N 1 0 317.371 0.169 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419042916 271268942 /nfs/dbraw/zinc/26/89/42/271268942.db2.gz QDJJMQHQXXVCAB-NSHDSACASA-N 1 0 322.365 0.225 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419267631 271280447 /nfs/dbraw/zinc/28/04/47/271280447.db2.gz JGOPCNJLDWYTOK-CMPLNLGQSA-N 1 0 320.349 0.559 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000419267191 271280940 /nfs/dbraw/zinc/28/09/40/271280940.db2.gz IJAUNUNHRYONNU-SNVBAGLBSA-N 1 0 322.365 0.934 20 5 DCBDRO CCOC(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000422703436 271379525 /nfs/dbraw/zinc/37/95/25/271379525.db2.gz HTQFSLBIWFYRSP-LLVKDONJSA-N 1 0 307.306 0.945 20 5 DCBDRO COCC[C@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000447381369 271786477 /nfs/dbraw/zinc/78/64/77/271786477.db2.gz GUUFIJBDJLHJHD-AWEZNQCLSA-N 1 0 311.338 0.542 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491797884 272105186 /nfs/dbraw/zinc/10/51/86/272105186.db2.gz QMRSDQNXKSCKPB-LFAOLKIESA-N 1 0 318.377 0.970 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492602028 272136609 /nfs/dbraw/zinc/13/66/09/272136609.db2.gz HAGKCAMBGIEBME-IDTUSYRASA-N 1 0 305.334 0.791 20 5 DCBDRO CN1C[C@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000495650194 272261852 /nfs/dbraw/zinc/26/18/52/272261852.db2.gz HAPNQTQEONJHMV-ZYHUDNBSSA-N 1 0 321.337 0.927 20 5 DCBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000179104245 273786314 /nfs/dbraw/zinc/78/63/14/273786314.db2.gz GFENCTSLSLFPPN-JTQLQIEISA-N 1 0 316.317 0.870 20 5 DCBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423631386 276846574 /nfs/dbraw/zinc/84/65/74/276846574.db2.gz ZTIUBODMVNKLJD-UHFFFAOYSA-N 1 0 320.349 0.028 20 5 DCBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000344884311 277567631 /nfs/dbraw/zinc/56/76/31/277567631.db2.gz NTDNLBLSARZCRM-JTQLQIEISA-N 1 0 301.368 0.964 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000262541760 278306537 /nfs/dbraw/zinc/30/65/37/278306537.db2.gz VNXNYDWASPOSES-SECBINFHSA-N 1 0 322.321 0.174 20 5 DCBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000423691269 279113791 /nfs/dbraw/zinc/11/37/91/279113791.db2.gz YYTMMSICWFZLGE-MWLCHTKSSA-N 1 0 321.333 0.857 20 5 DCBDRO C[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000291985887 279355163 /nfs/dbraw/zinc/35/51/63/279355163.db2.gz XMUIOEVNQPHDDS-SECBINFHSA-N 1 0 316.383 0.852 20 5 DCBDRO O=C([C@H]1CCC[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238000098 280131313 /nfs/dbraw/zinc/13/13/13/280131313.db2.gz IHLFWCFWBKYWCL-GFCCVEGCSA-N 1 0 304.350 0.995 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000552083215 288264092 /nfs/dbraw/zinc/26/40/92/288264092.db2.gz WRCBGAJBBAJVRN-JTQLQIEISA-N 1 0 308.338 0.391 20 5 DCBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000582024849 333171110 /nfs/dbraw/zinc/17/11/10/333171110.db2.gz OGFFYARAIHNYAS-HNNXBMFYSA-N 1 0 323.324 0.920 20 5 DCBDRO [NH3+][C@@H](CO)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001574261975 1159245007 /nfs/dbraw/zinc/24/50/07/1159245007.db2.gz HVHZEPWULYTXRU-VIFPVBQESA-N 1 0 307.228 0.549 20 5 DCBDRO C[S@@](=O)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000393698225 337093672 /nfs/dbraw/zinc/09/36/72/337093672.db2.gz VSRVQHSHBPLNCB-WSVYEEACSA-N 1 0 316.383 0.043 20 5 DCBDRO CC1(C)C[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000582721030 337124968 /nfs/dbraw/zinc/12/49/68/337124968.db2.gz RIERNVOTXKRXQO-YPMHNXCESA-N 1 0 312.370 0.947 20 5 DCBDRO O=C(NCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000582803827 337177325 /nfs/dbraw/zinc/17/73/25/337177325.db2.gz PXBADDMXIJOLJF-CYBMUJFWSA-N 1 0 323.349 0.450 20 5 DCBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000582895428 337212239 /nfs/dbraw/zinc/21/22/39/337212239.db2.gz UXVNVFFLRMZKFC-GWCFXTLKSA-N 1 0 320.349 0.325 20 5 DCBDRO [NH3+][C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000399242133 337314557 /nfs/dbraw/zinc/31/45/57/337314557.db2.gz UOEACQLXQXUIAB-CQSZACIVSA-N 1 0 319.365 0.766 20 5 DCBDRO COc1cccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000584589945 337370509 /nfs/dbraw/zinc/37/05/09/337370509.db2.gz BWOJYCJPZMPYQK-JTQLQIEISA-N 1 0 309.322 0.712 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC(O)(C[NH3+])CC2)c1 ZINC000577511874 341914558 /nfs/dbraw/zinc/91/45/58/341914558.db2.gz AZJRKUFXFOTMGO-UHFFFAOYSA-N 1 0 323.349 0.919 20 5 DCBDRO COC(=O)Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000295226936 533808099 /nfs/dbraw/zinc/80/80/99/533808099.db2.gz RNHZKQAYUQORBF-UHFFFAOYSA-N 1 0 319.321 0.692 20 5 DCBDRO CCCc1n[nH]c(C(=O)NCCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000236884357 521327633 /nfs/dbraw/zinc/32/76/33/521327633.db2.gz UTQQIKDBPLYCQQ-UHFFFAOYSA-N 1 0 324.385 0.296 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH2+]CC1 ZINC000262517335 525232819 /nfs/dbraw/zinc/23/28/19/525232819.db2.gz SWAZIHDUTUBWLC-JTQLQIEISA-N 1 0 320.349 0.581 20 5 DCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000237896536 527187363 /nfs/dbraw/zinc/18/73/63/527187363.db2.gz SKFOJQALEOKLJH-LLVKDONJSA-N 1 0 320.349 0.522 20 5 DCBDRO CC(C)[N@H+](C)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302116465 528824940 /nfs/dbraw/zinc/82/49/40/528824940.db2.gz CYWFGODQTQFKSP-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO CC(C)[NH+]1CCC(N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000330761908 528989327 /nfs/dbraw/zinc/98/93/27/528989327.db2.gz HJADMDHYVFDMEB-UHFFFAOYSA-N 1 0 310.358 0.518 20 5 DCBDRO CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](C)CC1 ZINC000285720863 535013811 /nfs/dbraw/zinc/01/38/11/535013811.db2.gz WYEJDOZZDMTJOH-LBPRGKRZSA-N 1 0 324.385 0.320 20 5 DCBDRO CCN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285528948 535691954 /nfs/dbraw/zinc/69/19/54/535691954.db2.gz KTKUYWDDKMTZAO-UHFFFAOYSA-N 1 0 324.385 0.465 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)c(-c2nn[nH]n2)c1 ZINC000738367959 598498874 /nfs/dbraw/zinc/49/88/74/598498874.db2.gz ACBOTMUSWHDJOB-SECBINFHSA-N 1 0 316.325 0.454 20 5 DCBDRO CCOc1cc([N+](=O)[O-])c(C(=O)NCC2C[NH2+]C2)cc1OC ZINC000262003144 658028198 /nfs/dbraw/zinc/02/81/98/658028198.db2.gz HOWXTJBYFJSXFU-UHFFFAOYSA-N 1 0 309.322 0.951 20 5 DCBDRO O=C(NCC1C[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000262009853 658240180 /nfs/dbraw/zinc/24/01/80/658240180.db2.gz JBPNNVWMDBNWNT-UHFFFAOYSA-N 1 0 301.306 0.730 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000158667602 658546476 /nfs/dbraw/zinc/54/64/76/658546476.db2.gz MWIPTGBWSJFMAL-STQMWFEESA-N 1 0 314.363 0.795 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000725895553 659260608 /nfs/dbraw/zinc/26/06/08/659260608.db2.gz HACDOXUYLVYAGB-ZJUUUORDSA-N 1 0 309.326 0.219 20 5 DCBDRO O=[N+]([O-])c1cnn(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000069796885 665675107 /nfs/dbraw/zinc/67/51/07/665675107.db2.gz JRXFWHKCRYVHMB-ZDUSSCGKSA-N 1 0 309.370 0.793 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000893754077 661404749 /nfs/dbraw/zinc/40/47/49/661404749.db2.gz VVKXTFQLLBBMNU-STQMWFEESA-N 1 0 322.369 0.669 20 5 DCBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000178716953 661501791 /nfs/dbraw/zinc/50/17/91/661501791.db2.gz ONFKYTKXDKBPCM-NSHDSACASA-N 1 0 316.321 0.657 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1C[NH2+]C1 ZINC000261926238 661843593 /nfs/dbraw/zinc/84/35/93/661843593.db2.gz BEUDCUKAFLAEPF-JTQLQIEISA-N 1 0 310.358 0.163 20 5 DCBDRO Cc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC000983658662 662002613 /nfs/dbraw/zinc/00/26/13/662002613.db2.gz ZJKTVVZEHRMYPD-HBJVGIJOSA-N 1 0 319.365 0.435 20 5 DCBDRO COc1cc(OCC(=O)NC[C@H]2CC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000928566141 662131989 /nfs/dbraw/zinc/13/19/89/662131989.db2.gz POMXSXBRCVZWFS-SNVBAGLBSA-N 1 0 309.322 0.803 20 5 DCBDRO NC(=O)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000984726367 662291129 /nfs/dbraw/zinc/29/11/29/662291129.db2.gz UEXSHEZQFUCNSA-XYPYZODXSA-N 1 0 306.322 0.065 20 5 DCBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896563219 662291238 /nfs/dbraw/zinc/29/12/38/662291238.db2.gz KMKMADZPOVVSMR-WFASDCNBSA-N 1 0 320.393 0.888 20 5 DCBDRO CN1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000897099306 662393739 /nfs/dbraw/zinc/39/37/39/662393739.db2.gz KWVHFJVHVAELLR-UHFFFAOYSA-N 1 0 318.381 0.926 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC([NH+]2CCCC2)C1 ZINC000898612687 663098828 /nfs/dbraw/zinc/09/88/28/663098828.db2.gz KZPFPMLZCUAUES-UHFFFAOYSA-N 1 0 306.322 0.063 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000738209546 663158857 /nfs/dbraw/zinc/15/88/57/663158857.db2.gz COCLVONXTPKVOU-ZDUSSCGKSA-N 1 0 308.386 0.461 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000899726808 663182275 /nfs/dbraw/zinc/18/22/75/663182275.db2.gz WDLGKSNGHVHFJI-UHFFFAOYSA-N 1 0 301.730 0.902 20 5 DCBDRO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[NH2+]CC1 ZINC000911647044 664097976 /nfs/dbraw/zinc/09/79/76/664097976.db2.gz MTRNBLPTVFRGHJ-ZDUSSCGKSA-N 1 0 304.306 0.520 20 5 DCBDRO COc1c(C(=O)N(C)CC[N@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000912603767 664191959 /nfs/dbraw/zinc/19/19/59/664191959.db2.gz BYIBEYMPGQVLFP-UHFFFAOYSA-N 1 0 311.338 0.600 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000157643099 664483775 /nfs/dbraw/zinc/48/37/75/664483775.db2.gz OGNKZHMZFMKCJA-MRVPVSSYSA-N 1 0 303.315 0.764 20 5 DCBDRO O=[N+]([O-])c1cnn(CN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000172407506 664621208 /nfs/dbraw/zinc/62/12/08/664621208.db2.gz JFGAVLIHWRINQM-UHFFFAOYSA-N 1 0 309.370 0.793 20 5 DCBDRO Cn1c(C(=O)N2CCC(O)(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000913682307 664712167 /nfs/dbraw/zinc/71/21/67/664712167.db2.gz ZRKBRLFOIJHLRV-UHFFFAOYSA-N 1 0 310.354 0.462 20 5 DCBDRO Nc1ccc(C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000916733428 665091447 /nfs/dbraw/zinc/09/14/47/665091447.db2.gz LAKJOAXESGQCNS-UHFFFAOYSA-N 1 0 301.306 0.836 20 5 DCBDRO Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996442465 666786528 /nfs/dbraw/zinc/78/65/28/666786528.db2.gz WMAUXQQAPVNQLC-TZMCWYRMSA-N 1 0 319.365 0.531 20 5 DCBDRO C[C@H]([NH3+])CN(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000863568197 667158356 /nfs/dbraw/zinc/15/83/56/667158356.db2.gz JOUDALYVKPCZQJ-JTQLQIEISA-N 1 0 301.368 0.648 20 5 DCBDRO O=C1OC[C@]2(C[NH2+]Cc3ccccc3[N+](=O)[O-])COCCN12 ZINC000865768650 667344969 /nfs/dbraw/zinc/34/49/69/667344969.db2.gz NPUZFUKSHDSEDX-AWEZNQCLSA-N 1 0 307.306 0.906 20 5 DCBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000839178651 667734659 /nfs/dbraw/zinc/73/46/59/667734659.db2.gz GUSAPATZXRQKBC-LLVKDONJSA-N 1 0 311.729 0.990 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000887927698 667931173 /nfs/dbraw/zinc/93/11/73/667931173.db2.gz FFJVGZISTSBVQU-YGRLFVJLSA-N 1 0 306.322 0.719 20 5 DCBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1[N+](=O)[O-] ZINC000887934622 667932891 /nfs/dbraw/zinc/93/28/91/667932891.db2.gz OEQUVCKAAKMUKN-LKFCYVNXSA-N 1 0 307.354 0.904 20 5 DCBDRO COC(=O)C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000754511501 668046776 /nfs/dbraw/zinc/04/67/76/668046776.db2.gz AWTZKUIPVQIBRH-VXGBXAGGSA-N 1 0 312.326 0.084 20 5 DCBDRO C[C@@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1([NH+]2CCOCC2)CCCC1 ZINC000839693660 668131824 /nfs/dbraw/zinc/13/18/24/668131824.db2.gz PSELNZUVTHUSDE-JHJVBQTASA-N 1 0 311.382 0.801 20 5 DCBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000839703449 668135710 /nfs/dbraw/zinc/13/57/10/668135710.db2.gz DLEODPWIJVAZER-MGPQQGTHSA-N 1 0 310.398 0.279 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NOC1CC[NH+](C)CC1 ZINC000773548465 668806953 /nfs/dbraw/zinc/80/69/53/668806953.db2.gz CCWYXKXDSLGKDG-UHFFFAOYSA-N 1 0 311.342 0.632 20 5 DCBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588850 668878655 /nfs/dbraw/zinc/87/86/55/668878655.db2.gz CQPZWHMTUKGUJN-RDBSUJKOSA-N 1 0 305.334 0.981 20 5 DCBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931406836 669195631 /nfs/dbraw/zinc/19/56/31/669195631.db2.gz RKOUOBASEHAMPR-CQSZACIVSA-N 1 0 322.365 0.532 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000933437297 669492286 /nfs/dbraw/zinc/49/22/86/669492286.db2.gz ZYTUUWKSFJZDPA-PWSUYJOCSA-N 1 0 309.370 0.898 20 5 DCBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1CC[NH2+]CC1 ZINC000884007644 669809824 /nfs/dbraw/zinc/80/98/24/669809824.db2.gz IYHOMEHQTOYEFR-UHFFFAOYSA-N 1 0 307.306 0.802 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000801945229 670146443 /nfs/dbraw/zinc/14/64/43/670146443.db2.gz AWWJMZCFSRJJDQ-UHFFFAOYSA-N 1 0 314.317 0.624 20 5 DCBDRO NC(=O)c1ccnc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000811782106 670549346 /nfs/dbraw/zinc/54/93/46/670549346.db2.gz GMROMKFQUVJJIQ-UWVGGRQHSA-N 1 0 321.337 0.364 20 5 DCBDRO C[NH+](C)CC1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000854722779 670618925 /nfs/dbraw/zinc/61/89/25/670618925.db2.gz LELNWQYIWACFQN-UHFFFAOYSA-N 1 0 317.349 0.965 20 5 DCBDRO CN(C[C@H](O)C[NH3+])C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766511 670945655 /nfs/dbraw/zinc/94/56/55/670945655.db2.gz RZYDWBKEMMRCBG-SECBINFHSA-N 1 0 319.264 0.344 20 5 DCBDRO NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819154320 671099503 /nfs/dbraw/zinc/09/95/03/671099503.db2.gz GWXUQMKLYSFQMI-AVGNSLFASA-N 1 0 309.322 0.251 20 5 DCBDRO [NH3+][C@H]1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000852802621 671162300 /nfs/dbraw/zinc/16/23/00/671162300.db2.gz LVDPZVYLKYDNRP-HAQNSBGRSA-N 1 0 304.350 0.981 20 5 DCBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825411353 671460656 /nfs/dbraw/zinc/46/06/56/671460656.db2.gz PDQRBVDDKWXYHV-RISCZKNCSA-N 1 0 305.334 0.981 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000834322073 671754762 /nfs/dbraw/zinc/75/47/62/671754762.db2.gz OREOXXFNXOQOKI-UFBFGSQYSA-N 1 0 324.293 0.691 20 5 DCBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC([NH3+])C1 ZINC000834834305 671783634 /nfs/dbraw/zinc/78/36/34/671783634.db2.gz DXGHHFJAPVYWKZ-UHFFFAOYSA-N 1 0 303.322 0.893 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000841182708 671918052 /nfs/dbraw/zinc/91/80/52/671918052.db2.gz HCZPIVFPQJZEOB-UHFFFAOYSA-N 1 0 312.301 0.788 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2ccccc2F)c1 ZINC000843064078 672057699 /nfs/dbraw/zinc/05/76/99/672057699.db2.gz DUTMCEIXLMVAAC-FZMZJTMJSA-N 1 0 324.312 0.615 20 5 DCBDRO CCOC(=O)C[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074678 672059446 /nfs/dbraw/zinc/05/94/46/672059446.db2.gz HTKFBHPDRFZSQP-WCQYABFASA-N 1 0 312.322 0.532 20 5 DCBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843102350 672061904 /nfs/dbraw/zinc/06/19/04/672061904.db2.gz WRCWJKYSMUMLMZ-KGYLQXTDSA-N 1 0 324.337 0.847 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H](CO)[C@H]2CCOC2)cc1 ZINC000843110087 672062364 /nfs/dbraw/zinc/06/23/64/672062364.db2.gz BDIRVPSNNUQLJJ-KCQAQPDRSA-N 1 0 310.350 0.863 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000843222276 672072402 /nfs/dbraw/zinc/07/24/02/672072402.db2.gz FSZFEFQFIMHFSK-SSDOTTSWSA-N 1 0 310.339 0.626 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCO1 ZINC000843357709 672086928 /nfs/dbraw/zinc/08/69/28/672086928.db2.gz VHIYKPHUSCRYOI-HZMBPMFUSA-N 1 0 322.365 0.849 20 5 DCBDRO O=[N+]([O-])c1ccnn1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000097506851 685113693 /nfs/dbraw/zinc/11/36/93/685113693.db2.gz MUEFQLSTDQTCTL-UHFFFAOYSA-N 1 0 309.370 0.793 20 5 DCBDRO CCc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001020139604 693710888 /nfs/dbraw/zinc/71/08/88/693710888.db2.gz HNYMDQKGEITUIA-DDHJBXDOSA-N 1 0 322.365 0.947 20 5 DCBDRO CCOCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001570051988 1161393236 /nfs/dbraw/zinc/39/32/36/1161393236.db2.gz FJYNJYYNJFAIRA-CHWSQXEVSA-N 1 0 311.382 0.613 20 5 DCBDRO C[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])C[C@H](O)C[NH2+]1 ZINC001573596594 1163512561 /nfs/dbraw/zinc/51/25/61/1163512561.db2.gz IVPXENKOPIUXIL-IINYFYTJSA-N 1 0 308.338 0.236 20 5 DCBDRO C[C@@](CO)(NC(=O)C[NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC001576037952 1164219727 /nfs/dbraw/zinc/21/97/27/1164219727.db2.gz ROUOBJBYRMLDFX-HNNXBMFYSA-N 1 0 307.350 0.918 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC001579667930 1165373805 /nfs/dbraw/zinc/37/38/05/1165373805.db2.gz YFCXPPQDJMPCMN-ZKYQVNSYSA-N 1 0 322.365 0.986 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)C1 ZINC001580198457 1165535107 /nfs/dbraw/zinc/53/51/07/1165535107.db2.gz HGVFINWYKUTGCB-HOSYDEDBSA-N 1 0 323.353 0.676 20 5 DCBDRO [NH3+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001580333213 1165574455 /nfs/dbraw/zinc/57/44/55/1165574455.db2.gz UCSWQSOWMYAWNL-BHDSKKPTSA-N 1 0 318.333 0.941 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001580381723 1165590131 /nfs/dbraw/zinc/59/01/31/1165590131.db2.gz VYGOYGGRVNHGNG-KGLIPLIRSA-N 1 0 320.349 0.360 20 5 DCBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@H]1COC2(C[NH2+]C2)C1 ZINC001580569751 1165641389 /nfs/dbraw/zinc/64/13/89/1165641389.db2.gz CZFGXILJLRZDDX-LLVKDONJSA-N 1 0 309.297 0.524 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[NH2+]C[C@H]1F ZINC001580582819 1165645233 /nfs/dbraw/zinc/64/52/33/1165645233.db2.gz YNLSNMVBUVILSI-NEPJUHHUSA-N 1 0 321.312 0.761 20 5 DCBDRO O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC001580622016 1165661810 /nfs/dbraw/zinc/66/18/10/1165661810.db2.gz FVQWHTDTQHGHQJ-NSHDSACASA-N 1 0 320.349 0.878 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580874585 1165747060 /nfs/dbraw/zinc/74/70/60/1165747060.db2.gz CDFIAETXWXDASQ-FKTZTGRPSA-N 1 0 315.326 0.905 20 5 DCBDRO C[C@H]1[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001590177351 1166800832 /nfs/dbraw/zinc/80/08/32/1166800832.db2.gz CYTOPMBJDVJWRQ-CBAPKCEASA-N 1 0 304.314 0.674 20 5 DCBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001590310366 1166857061 /nfs/dbraw/zinc/85/70/61/1166857061.db2.gz VPWCGIHGEFWLMG-PRHODGIISA-N 1 0 304.310 0.588 20 5 DCBDRO C[NH+](C)CCOCCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001591020853 1167084910 /nfs/dbraw/zinc/08/49/10/1167084910.db2.gz KEYHWXJCGSILNW-UHFFFAOYSA-N 1 0 322.329 0.160 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001591180695 1167132010 /nfs/dbraw/zinc/13/20/10/1167132010.db2.gz PURGWTVDNYXULO-CYBMUJFWSA-N 1 0 319.325 0.253 20 5 DCBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CCC1 ZINC001591215367 1167161054 /nfs/dbraw/zinc/16/10/54/1167161054.db2.gz IOYUSYJRDQWYQC-UHFFFAOYSA-N 1 0 318.341 0.911 20 5 DCBDRO COCC[N@H+](C)CCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591420910 1167278504 /nfs/dbraw/zinc/27/85/04/1167278504.db2.gz SENKPBXEPWVLKW-UHFFFAOYSA-N 1 0 321.341 0.765 20 5 DCBDRO C[C@@H]1CN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001591774073 1167373685 /nfs/dbraw/zinc/37/36/85/1167373685.db2.gz QXWYIMVSYOVONL-DTORHVGOSA-N 1 0 303.326 0.962 20 5 DCBDRO C[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC001591774112 1167374596 /nfs/dbraw/zinc/37/45/96/1167374596.db2.gz UHBVRYYFUSZIGS-DTORHVGOSA-N 1 0 318.341 0.699 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001597701983 1168011627 /nfs/dbraw/zinc/01/16/27/1168011627.db2.gz XSCGZLSNHAYNGJ-JTQLQIEISA-N 1 0 321.333 0.806 20 5 DCBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603834359 1169408623 /nfs/dbraw/zinc/40/86/23/1169408623.db2.gz JTOWBUVERNLOQC-ZJUUUORDSA-N 1 0 318.337 0.978 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001604862294 1169716786 /nfs/dbraw/zinc/71/67/86/1169716786.db2.gz BDIBSOSWRMLVSM-MRVPVSSYSA-N 1 0 318.341 0.863 20 5 DCBDRO CO[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001605144741 1169843051 /nfs/dbraw/zinc/84/30/51/1169843051.db2.gz GORFCYSMWTUBGS-LLVKDONJSA-N 1 0 304.310 0.996 20 5 DCBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CC(=O)N(C)C1=O ZINC001617473756 1171387985 /nfs/dbraw/zinc/38/79/85/1171387985.db2.gz KDRVYNSDLQOSBI-NSHDSACASA-N 1 0 323.353 0.569 20 5 DCBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620540554 1171403824 /nfs/dbraw/zinc/40/38/24/1171403824.db2.gz RPKNINUNWACOJV-GXTWGEPZSA-N 1 0 323.349 0.929 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](CO)[C@@H]3CCOC3)C2)c1 ZINC001621286380 1171408708 /nfs/dbraw/zinc/40/87/08/1171408708.db2.gz XSKVXLARCUTWSD-OKZRHMCRSA-N 1 0 310.354 0.729 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001624683682 1171459514 /nfs/dbraw/zinc/45/95/14/1171459514.db2.gz IBXPZZONVXACSD-UHFFFAOYSA-N 1 0 307.354 0.154 20 5 DCBDRO Nc1ncc(C(=O)N2CCN([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC001628692415 1171532943 /nfs/dbraw/zinc/53/29/43/1171532943.db2.gz OWGAYWAVMFZGCK-NSHDSACASA-N 1 0 321.337 0.119 20 5 DCBDRO CCc1n[nH]c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001635942218 1171718265 /nfs/dbraw/zinc/71/82/65/1171718265.db2.gz QTHXNQKXNDKIKV-MRVPVSSYSA-N 1 0 309.326 0.083 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3[nH]nc([N+](=O)[O-])c3Cl)C[C@]2(C)C1 ZINC001636345100 1171733367 /nfs/dbraw/zinc/73/33/67/1171733367.db2.gz OBJGMTLMQAXCML-KRTXAFLBSA-N 1 0 313.745 0.995 20 5 DCBDRO O=C(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)NCC[NH+]1CCCCC1 ZINC001636609635 1171743237 /nfs/dbraw/zinc/74/32/37/1171743237.db2.gz SNSMZDRTPANWQM-UHFFFAOYSA-N 1 0 323.353 0.255 20 5 DCBDRO CCO[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)C[NH+](C)C ZINC001637703394 1171774995 /nfs/dbraw/zinc/77/49/95/1171774995.db2.gz WEBNUFJEDXIHSB-NSHDSACASA-N 1 0 310.354 0.874 20 5 DCBDRO Cn1c(=O)c([N+](=O)[O-])c(NCC[N@H+](C)CCO)c2ccccc21 ZINC001640396661 1171879163 /nfs/dbraw/zinc/87/91/63/1171879163.db2.gz QYYWAVSVNHFKKR-UHFFFAOYSA-N 1 0 320.349 0.783 20 5 DCBDRO COC[C@@]1(CO)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116881 1171965778 /nfs/dbraw/zinc/96/57/78/1171965778.db2.gz DNJTYWKWPPLDMC-GJZGRUSLSA-N 1 0 310.350 0.959 20 5 DCBDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001644012232 1171994596 /nfs/dbraw/zinc/99/45/96/1171994596.db2.gz PQKZSLIEROFAHZ-UHFFFAOYSA-N 1 0 323.353 0.502 20 5 DCBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001647772777 1173055118 /nfs/dbraw/zinc/05/51/18/1173055118.db2.gz GETYYZFSFUJGOF-QMMMGPOBSA-N 1 0 324.312 0.519 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383834 1173748107 /nfs/dbraw/zinc/74/81/07/1173748107.db2.gz PFQVKJOZUFMSBD-WDEREUQCSA-N 1 0 305.338 0.762 20 5 DCBDRO COc1ccc(C[NH2+]CCNC(=O)c2ccn[nH]2)cc1[N+](=O)[O-] ZINC001655979065 1173831915 /nfs/dbraw/zinc/83/19/15/1173831915.db2.gz KVVXSWODBHSPAS-UHFFFAOYSA-N 1 0 319.321 0.846 20 5 DCBDRO C[C@@](CO)([NH2+]C[C@@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC001659768557 1173935420 /nfs/dbraw/zinc/93/54/20/1173935420.db2.gz HLIDQDGWFQOLTM-CABCVRRESA-N 1 0 320.349 0.650 20 5 DCBDRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001659789954 1173935615 /nfs/dbraw/zinc/93/56/15/1173935615.db2.gz VMBLUHGGBXEHQD-NSHDSACASA-N 1 0 310.358 0.575 20 5 DCBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ncc[nH]1 ZINC001670087267 1174980017 /nfs/dbraw/zinc/98/00/17/1174980017.db2.gz CJIUKXFHFIRLMH-UHFFFAOYSA-N 1 0 321.341 0.303 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1cccc([N+](=O)[O-])c1 ZINC001678007238 1175614832 /nfs/dbraw/zinc/61/48/32/1175614832.db2.gz CBGOEJRRPJUNMK-ZDUSSCGKSA-N 1 0 308.338 0.461 20 5 DCBDRO Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC001699257234 1177997710 /nfs/dbraw/zinc/99/77/10/1177997710.db2.gz NGGMXNKCXPHIPR-XCUNLHGCSA-N 1 0 305.338 0.212 20 5 DCBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nc[nH]n1 ZINC001699543647 1178192649 /nfs/dbraw/zinc/19/26/49/1178192649.db2.gz SSODGBPHKJXRJP-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)CC(N)=O ZINC001700183717 1178521790 /nfs/dbraw/zinc/52/17/90/1178521790.db2.gz OBXSHYHRJBCBTE-UHFFFAOYSA-N 1 0 322.365 0.751 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncn1C ZINC001707451279 1180514781 /nfs/dbraw/zinc/51/47/81/1180514781.db2.gz FRAYJZPHHQKJPV-CHWSQXEVSA-N 1 0 309.370 0.414 20 5 DCBDRO Cc1noc(CCC[N@@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001713451811 1180830497 /nfs/dbraw/zinc/83/04/97/1180830497.db2.gz UQCBSFJZSKABRT-GHMZBOCLSA-N 1 0 311.342 0.024 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnnn1C ZINC001713588021 1180945707 /nfs/dbraw/zinc/94/57/07/1180945707.db2.gz MPTOKFLJGZXXEE-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO O=C(NC1(C[NH2+]C/C=C\Cl)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724914453 1184617287 /nfs/dbraw/zinc/61/72/87/1184617287.db2.gz BUAUJKFQNNVKSO-UGJREKFNSA-N 1 0 317.773 0.659 20 5 DCBDRO CN(CC[NH2+]Cc1ccc2nonc2c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731908452 1185565418 /nfs/dbraw/zinc/56/54/18/1185565418.db2.gz LUSZZMBZNASLPV-ZWNOBZJWSA-N 1 0 319.321 0.436 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C(C)(C)C(N)=O ZINC001753199421 1188531705 /nfs/dbraw/zinc/53/17/05/1188531705.db2.gz MKFZXFFZWVCUKK-UHFFFAOYSA-N 1 0 322.365 0.654 20 5 DCBDRO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)ncn1 ZINC001754980685 1188986363 /nfs/dbraw/zinc/98/63/63/1188986363.db2.gz MYPLPDRYNBLUFE-CHWSQXEVSA-N 1 0 319.365 0.579 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418777060 1190390781 /nfs/dbraw/zinc/39/07/81/1190390781.db2.gz GSUWLFZIWGBBNI-JTQLQIEISA-N 1 0 308.338 0.450 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001164669334 719382802 /nfs/dbraw/zinc/38/28/02/719382802.db2.gz UTVULMKKVPUGNZ-QWRGUYRKSA-N 1 0 309.282 0.417 20 5 DCBDRO CN(C)C(=O)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001167789087 748308604 /nfs/dbraw/zinc/30/86/04/748308604.db2.gz TVKHPQRHNJLWCW-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO O=[N+]([O-])c1c(NCCN2CCSCC2)ncnc1C1C[NH2+]C1 ZINC001167837541 748413135 /nfs/dbraw/zinc/41/31/35/748413135.db2.gz NHCPPBKEEUSWGE-UHFFFAOYSA-N 1 0 324.410 0.532 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001167899640 748472657 /nfs/dbraw/zinc/47/26/57/748472657.db2.gz OXCNNJZKXLFDGX-SNVBAGLBSA-N 1 0 307.310 0.935 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001167899990 748473448 /nfs/dbraw/zinc/47/34/48/748473448.db2.gz WHLXORBKTZXUQI-SNVBAGLBSA-N 1 0 307.310 0.935 20 5 DCBDRO CCn1ncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001126706490 749627421 /nfs/dbraw/zinc/62/74/21/749627421.db2.gz MXFHXILMZKQDRP-UHFFFAOYSA-N 1 0 318.337 0.726 20 5 DCBDRO CS(=O)(=O)N1CC(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001168220417 749654701 /nfs/dbraw/zinc/65/47/01/749654701.db2.gz CYSAKJQQMBFTLL-UHFFFAOYSA-N 1 0 312.351 0.254 20 5 DCBDRO COc1cccc(OCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126936202 750148365 /nfs/dbraw/zinc/14/83/65/750148365.db2.gz AHDVTPDIGVSJNM-ZIAGYGMSSA-N 1 0 323.349 0.445 20 5 DCBDRO COc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1C ZINC001126936959 750149612 /nfs/dbraw/zinc/14/96/12/750149612.db2.gz YPVFYHHYZXTEBL-CHWSQXEVSA-N 1 0 307.350 0.875 20 5 DCBDRO CN1Cc2cc(N(CC[NH3+])S(C)(=O)=O)cc([N+](=O)[O-])c2N1 ZINC001162134227 754012001 /nfs/dbraw/zinc/01/20/01/754012001.db2.gz LXLOKVYSEIDQSD-UHFFFAOYSA-N 1 0 315.355 0.092 20 5 DCBDRO C[NH+](C)CCOc1cc(-n2cnc(CN)n2)ccc1[N+](=O)[O-] ZINC001168757113 754456511 /nfs/dbraw/zinc/45/65/11/754456511.db2.gz QBRUDLSIQZPZSQ-UHFFFAOYSA-N 1 0 306.326 0.575 20 5 DCBDRO Cn1cncc1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147871766 767867235 /nfs/dbraw/zinc/86/72/35/767867235.db2.gz LIDFBHBLMSYVJQ-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001155151696 759568284 /nfs/dbraw/zinc/56/82/84/759568284.db2.gz FYHPLXBDOXKVHJ-NSHDSACASA-N 1 0 309.326 0.410 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]CC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086364176 760106666 /nfs/dbraw/zinc/10/66/66/760106666.db2.gz VZXLLQXJBMRWTC-AAVRWANBSA-N 1 0 311.382 0.563 20 5 DCBDRO [NH3+]Cc1nnnn1-c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001168919911 760513083 /nfs/dbraw/zinc/51/30/83/760513083.db2.gz BHFVVAGXLALEOB-UHFFFAOYSA-N 1 0 304.188 0.928 20 5 DCBDRO CS(=O)(=O)c1ccc(-n2cc(CC[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168954052 760525934 /nfs/dbraw/zinc/52/59/34/760525934.db2.gz GHPHZVDKEJXZAM-UHFFFAOYSA-N 1 0 310.335 0.685 20 5 DCBDRO COC(=O)C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168957382 760531689 /nfs/dbraw/zinc/53/16/89/760531689.db2.gz GOWUJFVJUYFNME-NEPJUHHUSA-N 1 0 300.355 0.991 20 5 DCBDRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968466 760534632 /nfs/dbraw/zinc/53/46/32/760534632.db2.gz ZHHASLBAGAUHFB-ZYHUDNBSSA-N 1 0 305.400 0.445 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1nc(CC[NH3+])nc1C ZINC001168993052 760539208 /nfs/dbraw/zinc/53/92/08/760539208.db2.gz XMGMZHZJJFXZGQ-UHFFFAOYSA-N 1 0 306.282 0.167 20 5 DCBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)NCC(N)=O ZINC001169001203 760541389 /nfs/dbraw/zinc/54/13/89/760541389.db2.gz DLLZANJKPKRQES-WOPDTQHZSA-N 1 0 314.386 0.038 20 5 DCBDRO Cc1nc(CC[NH3+])nn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001168987059 760545172 /nfs/dbraw/zinc/54/51/72/760545172.db2.gz BMUOSMOTEIOOJH-UHFFFAOYSA-N 1 0 305.323 0.990 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001169071269 760571206 /nfs/dbraw/zinc/57/12/06/760571206.db2.gz JGXNNBATYAJRQY-LLVKDONJSA-N 1 0 317.349 0.916 20 5 DCBDRO O=C(CCn1cncn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123659256 768041352 /nfs/dbraw/zinc/04/13/52/768041352.db2.gz GNTJUAXKNZUVKM-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO Cc1cnoc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001170038021 761644731 /nfs/dbraw/zinc/64/47/31/761644731.db2.gz ZIBRTVRUNKQSJG-UHFFFAOYSA-N 1 0 322.325 0.534 20 5 DCBDRO CCCOCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157086670 761693894 /nfs/dbraw/zinc/69/38/94/761693894.db2.gz HUKSQPGBMQEXOF-UHFFFAOYSA-N 1 0 310.358 0.633 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccnn1CC[NH+](C)C ZINC001129434715 762942579 /nfs/dbraw/zinc/94/25/79/762942579.db2.gz UYLIAVVGEQPVEI-UHFFFAOYSA-N 1 0 321.341 0.497 20 5 DCBDRO COc1cc([N+](=O)[O-])cnc1NCCOCCOCC[NH3+] ZINC001170505780 763390848 /nfs/dbraw/zinc/39/08/48/763390848.db2.gz RLMMFYORRQXIFE-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnns1 ZINC001124159983 768155043 /nfs/dbraw/zinc/15/50/43/768155043.db2.gz YBOYFKLHAZCHBP-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO CCOC(=O)c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001170790818 765794696 /nfs/dbraw/zinc/79/46/96/765794696.db2.gz YWTDLHXZMIMNBX-BXKDBHETSA-N 1 0 309.322 0.764 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001136492171 766310039 /nfs/dbraw/zinc/31/00/39/766310039.db2.gz SPVSKSZFCZCVPX-DGCLKSJQSA-N 1 0 320.349 0.891 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001170995505 766382532 /nfs/dbraw/zinc/38/25/32/766382532.db2.gz ONKJDEYEWWFFJT-UHFFFAOYSA-N 1 0 307.310 0.799 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001118794069 766436231 /nfs/dbraw/zinc/43/62/31/766436231.db2.gz KNSLATCJAZDARA-LLVKDONJSA-N 1 0 323.353 0.298 20 5 DCBDRO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1C[N@H+](C)CCN1C ZINC001120873074 767283031 /nfs/dbraw/zinc/28/30/31/767283031.db2.gz CJMGSGXKCGVPLM-WDEREUQCSA-N 1 0 319.369 0.684 20 5 DCBDRO C[NH2+]C1CC(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001121970740 767684791 /nfs/dbraw/zinc/68/47/91/767684791.db2.gz ZWFGKEVRABBOBC-UHFFFAOYSA-N 1 0 307.354 0.953 20 5 DCBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC001122081833 767711705 /nfs/dbraw/zinc/71/17/05/767711705.db2.gz JULMEQJAXRWFGQ-UONOGXRCSA-N 1 0 317.345 0.899 20 5 DCBDRO CCC[N@H+](C)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093788290 768726399 /nfs/dbraw/zinc/72/63/99/768726399.db2.gz XEZPPFHLDWYWBS-UHFFFAOYSA-N 1 0 313.333 0.999 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(=O)[nH]c2c1SCC2 ZINC001230789707 768853720 /nfs/dbraw/zinc/85/37/20/768853720.db2.gz COPYTVSQBBWEJK-MRVPVSSYSA-O 1 0 314.387 0.193 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH3+])S(C)(=O)=O ZINC001173210768 769567487 /nfs/dbraw/zinc/56/74/87/769567487.db2.gz MZMRVLNBDJRFGL-SNVBAGLBSA-N 1 0 301.368 0.746 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(F)c(C(N)=O)c(F)c1 ZINC001234587738 769697918 /nfs/dbraw/zinc/69/79/18/769697918.db2.gz WRFGXWCPMAQRIU-MRVPVSSYSA-O 1 0 317.312 0.426 20 5 DCBDRO O=C(N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001175181123 769876884 /nfs/dbraw/zinc/87/68/84/769876884.db2.gz RWIGAGHPLNOQAE-NWDGAFQWSA-N 1 0 323.353 0.426 20 5 DCBDRO CC(=O)NCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154199056 770107630 /nfs/dbraw/zinc/10/76/30/770107630.db2.gz AHRJQJIGUVOPTN-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO COc1nc(NCc2noc3c2C[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001155495449 770525039 /nfs/dbraw/zinc/52/50/39/770525039.db2.gz QKRGXMGJVDAMRQ-UHFFFAOYSA-N 1 0 306.282 0.639 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncnc3ccc([N+](=O)[O-])cc32)N1 ZINC001155569833 770546635 /nfs/dbraw/zinc/54/66/35/770546635.db2.gz HVDBEIOWIHWMAA-RISCZKNCSA-N 1 0 314.305 0.528 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)nc1Cl ZINC001155570952 770547778 /nfs/dbraw/zinc/54/77/78/770547778.db2.gz PLSVNCFVUPBVLN-PRHODGIISA-N 1 0 311.729 0.942 20 5 DCBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155571419 770548512 /nfs/dbraw/zinc/54/85/12/770548512.db2.gz SPPRAXZYRAMCNZ-UFBFGSQYSA-N 1 0 311.729 0.942 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001155591948 770558346 /nfs/dbraw/zinc/55/83/46/770558346.db2.gz LLWJNDDDUUQZFQ-BXUZGUMPSA-N 1 0 308.338 0.799 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1 ZINC001155638333 770575808 /nfs/dbraw/zinc/57/58/08/770575808.db2.gz NGBPEHAISPUMTK-FYBVGQRMSA-N 1 0 300.702 0.423 20 5 DCBDRO C[N@@H+]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC001178709643 770845029 /nfs/dbraw/zinc/84/50/29/770845029.db2.gz QURSFDJGAOSVBA-LLVKDONJSA-N 1 0 308.338 0.213 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc(C[NH3+])cc1=N ZINC001156851028 770945059 /nfs/dbraw/zinc/94/50/59/770945059.db2.gz URJAHKGJQXLFDJ-UHFFFAOYSA-N 1 0 317.305 0.895 20 5 DCBDRO O=C(NCCC[NH2+]Cc1nccn1C(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760329 771664687 /nfs/dbraw/zinc/66/46/87/771664687.db2.gz CCQTZFMMSMGQSN-RKDXNWHRSA-N 1 0 317.296 0.539 20 5 DCBDRO CC(C)(C)n1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001157767511 771666041 /nfs/dbraw/zinc/66/60/41/771666041.db2.gz PNMIBFNEHWIGIL-CHWSQXEVSA-N 1 0 323.397 0.899 20 5 DCBDRO O=C(NCCC[NH2+]Cc1nc2c(o1)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767455 771666078 /nfs/dbraw/zinc/66/60/78/771666078.db2.gz NGIIFIDAKUJXTH-ZYHUDNBSSA-N 1 0 322.365 0.815 20 5 DCBDRO COc1ccc(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157775019 771670730 /nfs/dbraw/zinc/67/07/30/771670730.db2.gz IADQZSORYMAIPX-HUUCEWRRSA-N 1 0 321.377 0.999 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001158634825 771797484 /nfs/dbraw/zinc/79/74/84/771797484.db2.gz HESBGVYWINIFFJ-RISCZKNCSA-N 1 0 321.337 0.303 20 5 DCBDRO COc1nc(N2CC([N@H+](C)[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001158725230 771814612 /nfs/dbraw/zinc/81/46/12/771814612.db2.gz GYZZTMIMADQQKP-JTQLQIEISA-N 1 0 308.338 0.908 20 5 DCBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(C)ncc1[N+](=O)[O-] ZINC001159453632 771912411 /nfs/dbraw/zinc/91/24/11/771912411.db2.gz XJODSPVTXISEDI-UHFFFAOYSA-N 1 0 307.310 0.916 20 5 DCBDRO COC(=O)c1nc(Cl)nc(NCC[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001159774834 771956117 /nfs/dbraw/zinc/95/61/17/771956117.db2.gz UUKRKRFTPAOCPM-RXMQYKEDSA-N 1 0 303.706 0.974 20 5 DCBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1nccnc1[N+](=O)[O-] ZINC001162724584 772411301 /nfs/dbraw/zinc/41/13/01/772411301.db2.gz FKXLNOJUKSVCPE-SNVBAGLBSA-N 1 0 311.342 0.928 20 5 DCBDRO COC(=O)c1ccnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001162794120 772419492 /nfs/dbraw/zinc/41/94/92/772419492.db2.gz OAXIHNZEOKVBGZ-JMJZKYOTSA-N 1 0 304.306 0.962 20 5 DCBDRO COc1nc(C)c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1[N+](=O)[O-] ZINC001163105117 772463247 /nfs/dbraw/zinc/46/32/47/772463247.db2.gz KCDRTJLABIYRIK-GIPNMCIBSA-N 1 0 308.338 0.953 20 5 DCBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163250959 772491340 /nfs/dbraw/zinc/49/13/40/772491340.db2.gz PSLFJAUGSXGIFB-JSGCOSHPSA-N 1 0 306.322 0.902 20 5 DCBDRO CC(C)OC(=O)[C@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163401985 772520330 /nfs/dbraw/zinc/52/03/30/772520330.db2.gz PTTVMJRZXPMMKU-QMMMGPOBSA-N 1 0 309.326 0.824 20 5 DCBDRO O=C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC[C@H]1F ZINC001164025973 772606806 /nfs/dbraw/zinc/60/68/06/772606806.db2.gz NXVJRIIZHUFNDV-SECBINFHSA-N 1 0 309.301 0.579 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001165269602 772713870 /nfs/dbraw/zinc/71/38/70/772713870.db2.gz OVIGMTYPSDIPFD-IUCAKERBSA-N 1 0 313.745 0.914 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCOCC23C[NH2+]C3)c1 ZINC001165288173 772718379 /nfs/dbraw/zinc/71/83/79/772718379.db2.gz DPNRWCNPLARJOG-UHFFFAOYSA-N 1 0 300.702 0.060 20 5 DCBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1cc([N+](=O)[O-])ccn1 ZINC001165405110 772733568 /nfs/dbraw/zinc/73/35/68/772733568.db2.gz LUZMFPVEDYPUGX-ZMLRMANQSA-N 1 0 306.322 0.720 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]([NH3+])C(F)(F)C1 ZINC001166959263 772890025 /nfs/dbraw/zinc/89/00/25/772890025.db2.gz DBHIOVWLVNEBFZ-SECBINFHSA-N 1 0 316.264 0.949 20 5 DCBDRO CS(=O)(=O)N(c1cc(Cl)ncc1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166966728 772891258 /nfs/dbraw/zinc/89/12/58/772891258.db2.gz GHNCFDFGXQCWFS-UHFFFAOYSA-N 1 0 306.731 0.381 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[NH2+]CCN1 ZINC001218860468 774316337 /nfs/dbraw/zinc/31/63/37/774316337.db2.gz XHQJIECRCYHSNA-INIZCTEOSA-N 1 0 322.372 0.865 20 5 DCBDRO CCOC(=O)/C=C(/COC(=O)C[C@@H](O)C[N+](C)(C)C)OCC ZINC001225028431 775632831 /nfs/dbraw/zinc/63/28/31/775632831.db2.gz AWQWTEBIUKNRKK-FNWMBBJUSA-N 1 0 318.390 0.470 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncncc1Br ZINC001226570249 775836960 /nfs/dbraw/zinc/83/69/60/775836960.db2.gz FFIJYMHDBRTOGL-MRVPVSSYSA-N 1 0 319.179 0.602 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc(Br)nc1 ZINC001227752408 776003752 /nfs/dbraw/zinc/00/37/52/776003752.db2.gz JHLXUFUQZKYQRL-MRVPVSSYSA-N 1 0 319.179 0.602 20 5 DCBDRO CSc1nc(C)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001228910192 776136938 /nfs/dbraw/zinc/13/69/38/776136938.db2.gz VSVDCFYOQKWEDX-SNVBAGLBSA-N 1 0 300.404 0.870 20 5 DCBDRO CC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001266626956 939183412 /nfs/dbraw/zinc/18/34/12/939183412.db2.gz DNGKEIVNBQOPAY-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO O=C(NCC[N@H+](CCn1cccn1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267325212 939425240 /nfs/dbraw/zinc/42/52/40/939425240.db2.gz FTHYRHHIUUMAEZ-CHWSQXEVSA-N 1 0 307.354 0.129 20 5 DCBDRO CCN(CC[NH2+]Cc1c(C)nnn1CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482925048 941713474 /nfs/dbraw/zinc/71/34/74/941713474.db2.gz QFTTZDJGPMFZRA-VXGBXAGGSA-N 1 0 324.385 0.210 20 5 DCBDRO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)C(N)=O ZINC001280850379 944657287 /nfs/dbraw/zinc/65/72/87/944657287.db2.gz PQVPEKSKTSJUPB-UHFFFAOYSA-N 1 0 308.338 0.360 20 5 DCBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001318671065 945424353 /nfs/dbraw/zinc/42/43/53/945424353.db2.gz MQGZHXMIIODNQS-CHWSQXEVSA-N 1 0 322.365 0.746 20 5 DCBDRO C[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]C[C@H]1O ZINC001247825441 945575997 /nfs/dbraw/zinc/57/59/97/945575997.db2.gz BEZANGYFXZDNQL-RNCFNFMXSA-N 1 0 323.284 0.791 20 5 DCBDRO Cc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001321051247 946141389 /nfs/dbraw/zinc/14/13/89/946141389.db2.gz KQDFUHZMTPWLEM-NAGRZINJSA-N 1 0 308.338 0.719 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC001253923991 946203813 /nfs/dbraw/zinc/20/38/13/946203813.db2.gz WJOQDWDXVCUNEG-UHFFFAOYSA-N 1 0 324.385 0.086 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(C)S(=O)(=O)CC[NH3+] ZINC001254534696 946407213 /nfs/dbraw/zinc/40/72/13/946407213.db2.gz BJGCCAGGJDUDMF-SNVBAGLBSA-N 1 0 301.368 0.746 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574018 946409640 /nfs/dbraw/zinc/40/96/40/946409640.db2.gz FIYNCUKMLBQVIY-OCCSQVGLSA-N 1 0 302.334 0.993 20 5 DCBDRO COC(=O)CC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254586157 946413409 /nfs/dbraw/zinc/41/34/09/946413409.db2.gz HUMZYIXPUVRRFQ-YPMHNXCESA-N 1 0 321.333 0.459 20 5 DCBDRO CS(=O)(=O)N(C1C[NH2+]C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602581 946414871 /nfs/dbraw/zinc/41/48/71/946414871.db2.gz GNCHHBQNQMWWJL-LBPRGKRZSA-N 1 0 311.363 0.295 20 5 DCBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001322682476 946769062 /nfs/dbraw/zinc/76/90/62/946769062.db2.gz XFWGLPLUZQOHML-CHWSQXEVSA-N 1 0 324.385 0.963 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCN3CCC(O)CC3)C2)c1 ZINC001262011058 947533289 /nfs/dbraw/zinc/53/32/89/947533289.db2.gz XPZMPWQDPPADAS-UHFFFAOYSA-N 1 0 309.370 0.541 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC001325337368 947759518 /nfs/dbraw/zinc/75/95/18/947759518.db2.gz XKQXTPFBDVFLQM-NSHDSACASA-N 1 0 323.353 0.645 20 5 DCBDRO O=C(C[C@]1(O)CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001263089147 947804297 /nfs/dbraw/zinc/80/42/97/947804297.db2.gz AWAFMMYXADBALI-OAHLLOKOSA-N 1 0 305.334 0.942 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001325610491 947855040 /nfs/dbraw/zinc/85/50/40/947855040.db2.gz KUIWHFSROVCZJC-JLLWLGSASA-N 1 0 323.353 0.642 20 5 DCBDRO Cn1nccc1CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001264985189 949141995 /nfs/dbraw/zinc/14/19/95/949141995.db2.gz PGDMKCJGGMIELU-CHWSQXEVSA-N 1 0 309.370 0.066 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CC[NH+](C)C)c2)n1 ZINC001329619632 949719363 /nfs/dbraw/zinc/71/93/63/949719363.db2.gz GJNJCOZKAGMEQJ-UHFFFAOYSA-N 1 0 307.314 0.339 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001329823527 949899947 /nfs/dbraw/zinc/89/99/47/949899947.db2.gz XRSKNPJEDHXOEG-WDEREUQCSA-N 1 0 322.365 0.805 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001330487013 950449376 /nfs/dbraw/zinc/44/93/76/950449376.db2.gz IPIVITCIKKOHQH-RYUDHWBXSA-N 1 0 306.322 0.271 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC001330487009 950450795 /nfs/dbraw/zinc/45/07/95/950450795.db2.gz IPIVITCIKKOHQH-NEPJUHHUSA-N 1 0 306.322 0.271 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001330593671 950532525 /nfs/dbraw/zinc/53/25/25/950532525.db2.gz ADCDSYWYOQRVSX-NEPJUHHUSA-N 1 0 323.353 0.319 20 5 DCBDRO CCOC(=O)[C@H]1CNCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC001332415670 951638311 /nfs/dbraw/zinc/63/83/11/951638311.db2.gz IVFYWYVGQQXOFB-LLVKDONJSA-N 1 0 322.321 0.154 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)C1 ZINC001336943394 952788303 /nfs/dbraw/zinc/78/83/03/952788303.db2.gz SJOJDLIORVESOI-NSHDSACASA-N 1 0 320.349 0.970 20 5 DCBDRO Cn1c(Cl)cnc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001338417235 953008496 /nfs/dbraw/zinc/00/84/96/953008496.db2.gz BCPUWVBSKLJONG-SECBINFHSA-N 1 0 314.733 0.329 20 5 DCBDRO CNc1ccc(C(=O)N2CC[NH2+]C[C@H]2COC)cc1[N+](=O)[O-] ZINC001341622314 953241460 /nfs/dbraw/zinc/24/14/60/953241460.db2.gz DDVQMVUTEKYEQU-NSHDSACASA-N 1 0 308.338 0.697 20 5 DCBDRO COc1cc(C(=O)N2CCNCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001342621208 953298869 /nfs/dbraw/zinc/29/88/69/953298869.db2.gz FQKIDASGVBLRPE-UHFFFAOYSA-N 1 0 308.338 0.238 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC001344129008 953418203 /nfs/dbraw/zinc/41/82/03/953418203.db2.gz FQZVJOKCTHSXSS-UHFFFAOYSA-N 1 0 304.350 0.667 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001348128487 954204705 /nfs/dbraw/zinc/20/47/05/954204705.db2.gz VQCFVCPPRPPFGP-SDDRHHMPSA-N 1 0 307.354 0.556 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001348747921 954453509 /nfs/dbraw/zinc/45/35/09/954453509.db2.gz PSOMZRMQRJEXSK-QJPTWQEYSA-N 1 0 320.349 0.213 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC001349421778 954748380 /nfs/dbraw/zinc/74/83/80/954748380.db2.gz YXFISSVBOIKHTN-CYBMUJFWSA-N 1 0 320.349 0.547 20 5 DCBDRO [NH3+]CCn1cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC001350357511 955068729 /nfs/dbraw/zinc/06/87/29/955068729.db2.gz DXUWVZRLEXKVII-UHFFFAOYSA-N 1 0 302.294 0.301 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3CC3CC3)CC[C@@H]21 ZINC001350509440 955119135 /nfs/dbraw/zinc/11/91/35/955119135.db2.gz SGIKSYMMZXVUSH-OLZOCXBDSA-N 1 0 320.397 0.995 20 5 DCBDRO COCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001480123242 955534227 /nfs/dbraw/zinc/53/42/27/955534227.db2.gz AZEDQLPGTUBNOU-MGCOHNPYSA-N 1 0 311.342 0.102 20 5 DCBDRO C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001353230576 955985758 /nfs/dbraw/zinc/98/57/58/955985758.db2.gz DAMHNZYXSDIIFY-UWVGGRQHSA-N 1 0 322.325 0.209 20 5 DCBDRO CC1([NH+]2CCC2)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001354172114 956302321 /nfs/dbraw/zinc/30/23/21/956302321.db2.gz WOEWTPXCIBWLQI-UHFFFAOYSA-N 1 0 308.342 0.273 20 5 DCBDRO NC(=O)c1ccnc(NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC001307124850 960141711 /nfs/dbraw/zinc/14/17/11/960141711.db2.gz DLXGIEVDLGUGLT-JTQLQIEISA-N 1 0 323.353 0.347 20 5 DCBDRO Cn1nnc2c1CC[C@H]([NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)C2 ZINC001308841565 960184529 /nfs/dbraw/zinc/18/45/29/960184529.db2.gz SOCHIYRMQYMEDC-WHXUTIOJSA-N 1 0 317.353 0.770 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001523580348 1014722381 /nfs/dbraw/zinc/72/23/81/1014722381.db2.gz HKOWOLGFBTVVSM-NSHDSACASA-N 1 0 309.322 0.664 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1C[N@H+](C)CCN1C ZINC001465293010 1015993891 /nfs/dbraw/zinc/99/38/91/1015993891.db2.gz GKXCVLOZESSJIQ-HZMBPMFUSA-N 1 0 321.381 0.541 20 5 DCBDRO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001465946115 1016036070 /nfs/dbraw/zinc/03/60/70/1016036070.db2.gz XRSIXPJQWFIWLF-MFKMUULPSA-N 1 0 322.369 0.168 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC12CCC[NH+](CCC1)C2 ZINC001470752491 1016489708 /nfs/dbraw/zinc/48/97/08/1016489708.db2.gz CVDBWTFUABINKS-UHFFFAOYSA-N 1 0 308.342 0.179 20 5 DCBDRO COc1ccc(C[NH2+]CC(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001473963303 1016994404 /nfs/dbraw/zinc/99/44/04/1016994404.db2.gz SQJJMSPCLFVVGA-UHFFFAOYSA-N 1 0 322.365 0.467 20 5 DCBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001454284226 1009041488 /nfs/dbraw/zinc/04/14/88/1009041488.db2.gz GQFDINIARSIPIW-HUUCEWRRSA-N 1 0 319.365 0.986 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)n1 ZINC001558043600 1012315851 /nfs/dbraw/zinc/31/58/51/1012315851.db2.gz OYQXIPMAXRXDFO-AWEZNQCLSA-N 1 0 308.338 0.437 20 5 DCBDRO CN(C)c1cc[nH+]c(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])c1 ZINC001558381525 1012353177 /nfs/dbraw/zinc/35/31/77/1012353177.db2.gz PXJMVUWJPURLCP-UHFFFAOYSA-N 1 0 316.321 0.963 20 5 DCBDRO CCc1nn(C)c(N2CC(N3CC[NH+](CC)CC3)C2)c1[N+](=O)[O-] ZINC001516028899 1017136852 /nfs/dbraw/zinc/13/68/52/1017136852.db2.gz KPKBJGPLBLSKBA-UHFFFAOYSA-N 1 0 322.413 0.717 20 5 DCBDRO C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001477126542 1017255843 /nfs/dbraw/zinc/25/58/43/1017255843.db2.gz HWZDHUSOAWFLJU-UHFFFAOYSA-N 1 0 321.337 0.909 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001522357780 1017484558 /nfs/dbraw/zinc/48/45/58/1017484558.db2.gz HUHPEFQCJRZYOB-RYUDHWBXSA-N 1 0 307.354 0.700 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnc(C)cn1 ZINC001479843462 1017873603 /nfs/dbraw/zinc/87/36/03/1017873603.db2.gz DWFHSMVJUUTGLM-ZIAGYGMSSA-N 1 0 321.381 0.778 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CCNC(N)=O ZINC001493787693 1019706870 /nfs/dbraw/zinc/70/68/70/1019706870.db2.gz VLMUKGPZIFCXIP-UHFFFAOYSA-N 1 0 323.353 0.201 20 5 DCBDRO COC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278749666 214373603 /nfs/dbraw/zinc/37/36/03/214373603.db2.gz ASZAHGQKNHANEJ-OCCSQVGLSA-N 1 0 323.349 0.977 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000052093283 190681763 /nfs/dbraw/zinc/68/17/63/190681763.db2.gz BUURCTLEDOKDKX-MRVPVSSYSA-N 1 0 301.324 0.244 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272680103 210086058 /nfs/dbraw/zinc/08/60/58/210086058.db2.gz KSWJOTMSTNYEED-SNVBAGLBSA-N 1 0 307.354 0.866 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287192513 219371298 /nfs/dbraw/zinc/37/12/98/219371298.db2.gz UCPQSYJUZZFSOW-SNVBAGLBSA-N 1 0 323.353 0.643 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000331926456 234285581 /nfs/dbraw/zinc/28/55/81/234285581.db2.gz DFOVEIUESSCHIA-CMPLNLGQSA-N 1 0 323.353 0.356 20 5 DCBDRO COC[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000174105454 198292568 /nfs/dbraw/zinc/29/25/68/198292568.db2.gz KGSRYHWWXVHHET-SNVBAGLBSA-N 1 0 317.367 0.498 20 5 DCBDRO COc1cc(OCC(=O)N(C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000179071319 198978335 /nfs/dbraw/zinc/97/83/35/198978335.db2.gz SBJKSKPLGGBPRI-JTQLQIEISA-N 1 0 309.322 0.803 20 5 DCBDRO [NH3+]C1(CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000420417592 283406359 /nfs/dbraw/zinc/40/63/59/283406359.db2.gz HMWHAWJKHQBODX-UHFFFAOYSA-N 1 0 313.379 0.938 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261714993 283474509 /nfs/dbraw/zinc/47/45/09/283474509.db2.gz JTZHUNGAGNKPPK-QMMMGPOBSA-N 1 0 303.315 0.846 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566250720 291288749 /nfs/dbraw/zinc/28/87/49/291288749.db2.gz CYXQWQDYEWYMKQ-VXGBXAGGSA-N 1 0 307.354 0.639 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CCN2C1=O ZINC000566630132 291315985 /nfs/dbraw/zinc/31/59/85/291315985.db2.gz OOJIAYFSHLMCLA-MWLCHTKSSA-N 1 0 317.349 0.311 20 5 DCBDRO O=C(NCCC[NH2+]Cc1cccnc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000422737659 240182786 /nfs/dbraw/zinc/18/27/86/240182786.db2.gz XQDNPNNUULDTBY-UHFFFAOYSA-N 1 0 304.310 0.623 20 5 DCBDRO CN(CCC[NH+]1CCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000281894760 216616217 /nfs/dbraw/zinc/61/62/17/216616217.db2.gz NVGRJHAZLZMRGR-UHFFFAOYSA-N 1 0 324.385 0.919 20 5 DCBDRO CC1(C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCO[C@H]21 ZINC000567689087 291369778 /nfs/dbraw/zinc/36/97/78/291369778.db2.gz CASQNSCCNBKXNX-WUHRBBMRSA-N 1 0 310.354 0.555 20 5 DCBDRO CC(C)[C@@H](O)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000568089479 291402814 /nfs/dbraw/zinc/40/28/14/291402814.db2.gz YXDLJLXIEFTEFH-QWHCGFSZSA-N 1 0 312.370 0.539 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423686855 284002237 /nfs/dbraw/zinc/00/22/37/284002237.db2.gz ZNUAOYWHRLDGMF-RNCFNFMXSA-N 1 0 316.317 0.453 20 5 DCBDRO CC[NH2+]CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000054266180 183931988 /nfs/dbraw/zinc/93/19/88/183931988.db2.gz KMQDXLIYBBVGGD-UHFFFAOYSA-N 1 0 303.340 0.491 20 5 DCBDRO O=[N+]([O-])c1c(N2CC[C@H](N3CC[NH2+]CC3)C2)nc2sccn21 ZINC000262563010 285078027 /nfs/dbraw/zinc/07/80/27/285078027.db2.gz VXFQZHATBDFGFB-JTQLQIEISA-N 1 0 322.394 0.788 20 5 DCBDRO COc1cc(OCC(=O)N(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000294966184 533089472 /nfs/dbraw/zinc/08/94/72/533089472.db2.gz XBNKKBPOWZQKTE-UHFFFAOYSA-N 1 0 309.322 0.930 20 5 DCBDRO CN(CCC(N)=O)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000286522590 219035006 /nfs/dbraw/zinc/03/50/06/219035006.db2.gz QWADLQWYWWBHEY-UHFFFAOYSA-N 1 0 314.729 0.994 20 5 DCBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347388884 254153099 /nfs/dbraw/zinc/15/30/99/254153099.db2.gz JNUAUCIJWHWGEC-ZDUSSCGKSA-N 1 0 321.381 0.982 20 5 DCBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305603 254146180 /nfs/dbraw/zinc/14/61/80/254146180.db2.gz LWUZNHBNAYTIJN-SNPRPXQTSA-N 1 0 323.397 0.711 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000347625475 254173674 /nfs/dbraw/zinc/17/36/74/254173674.db2.gz QNJXENJCEUWTDN-BDAKNGLRSA-N 1 0 310.310 0.256 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000349935918 254305484 /nfs/dbraw/zinc/30/54/84/254305484.db2.gz KXJUVBGTHACGSF-NXEZZACHSA-N 1 0 324.337 0.646 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000349954720 254306080 /nfs/dbraw/zinc/30/60/80/254306080.db2.gz YJBDHFYMROKNOM-UWVGGRQHSA-N 1 0 308.338 0.567 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000351827779 254372969 /nfs/dbraw/zinc/37/29/69/254372969.db2.gz QTJJTMDPBFNFJK-SKDRFNHKSA-N 1 0 309.370 0.994 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000272975468 130079002 /nfs/dbraw/zinc/07/90/02/130079002.db2.gz CWLAKHOBUYLCSP-ZIAGYGMSSA-N 1 0 324.312 0.615 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000285586361 131183550 /nfs/dbraw/zinc/18/35/50/131183550.db2.gz AIWPLDMZYQJUIO-UHFFFAOYSA-N 1 0 307.354 0.202 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000289336834 131375319 /nfs/dbraw/zinc/37/53/19/131375319.db2.gz WIVDVKMNZXHOHP-CQSZACIVSA-N 1 0 307.354 0.852 20 5 DCBDRO CN1CCO[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121071186 132151650 /nfs/dbraw/zinc/15/16/50/132151650.db2.gz VMBQLESFTHAQTG-ZFWWWQNUSA-N 1 0 307.350 0.988 20 5 DCBDRO Cc1c(Cl)cc(S(=O)(=O)NC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000090289284 395718500 /nfs/dbraw/zinc/71/85/00/395718500.db2.gz RCVWPWRYNOZXCA-UHFFFAOYSA-N 1 0 305.743 0.807 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000193902783 395782188 /nfs/dbraw/zinc/78/21/88/395782188.db2.gz OWRNULVKKMRWIF-UHFFFAOYSA-N 1 0 306.366 0.501 20 5 DCBDRO CS[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1[NH+](C)C ZINC000271215820 395847252 /nfs/dbraw/zinc/84/72/52/395847252.db2.gz ZFTLGDHLUCDPDV-NXEZZACHSA-N 1 0 313.383 0.295 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272537025 395898268 /nfs/dbraw/zinc/89/82/68/395898268.db2.gz BPTIEYOUOFZOMT-AAEUAGOBSA-N 1 0 307.354 0.734 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000054375004 395898861 /nfs/dbraw/zinc/89/88/61/395898861.db2.gz USAKYEGPCSHMHF-VIFPVBQESA-N 1 0 314.367 0.301 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000123993875 395899459 /nfs/dbraw/zinc/89/94/59/395899459.db2.gz SKJZVFGXBVLIDS-PWSUYJOCSA-N 1 0 320.349 0.581 20 5 DCBDRO CC(C)(C)C[C@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226087947 395864958 /nfs/dbraw/zinc/86/49/58/395864958.db2.gz VRXMOZPXBYTOQL-RYUDHWBXSA-N 1 0 300.359 0.539 20 5 DCBDRO Nc1ccc(C(=O)NCCN2CCSCC2)cc1[N+](=O)[O-] ZINC000226226273 395864976 /nfs/dbraw/zinc/86/49/76/395864976.db2.gz GUPYGVIIJPUJBD-UHFFFAOYSA-N 1 0 310.379 0.956 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000053254839 395879240 /nfs/dbraw/zinc/87/92/40/395879240.db2.gz DHQNUBDLGYGWQI-SECBINFHSA-N 1 0 315.351 0.634 20 5 DCBDRO NS(=O)(=O)c1ccc(NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053255109 395879365 /nfs/dbraw/zinc/87/93/65/395879365.db2.gz DFQLFODRFJAQNH-MRVPVSSYSA-N 1 0 300.340 0.406 20 5 DCBDRO C[NH+](C)C(C)(C)CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000134867278 395935424 /nfs/dbraw/zinc/93/54/24/395935424.db2.gz KCQDSAGNZZEMFZ-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO [NH3+]CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000139450986 395954786 /nfs/dbraw/zinc/95/47/86/395954786.db2.gz HIHNZUVPTJXHPS-UHFFFAOYSA-N 1 0 313.257 0.851 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000274767912 395974745 /nfs/dbraw/zinc/97/47/45/395974745.db2.gz JDJQBGPDKRNRPM-CQSZACIVSA-N 1 0 322.365 0.973 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000064536542 395987949 /nfs/dbraw/zinc/98/79/49/395987949.db2.gz BRGHNQJMSIOKRD-LBPRGKRZSA-N 1 0 307.354 0.796 20 5 DCBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000277294392 396059810 /nfs/dbraw/zinc/05/98/10/396059810.db2.gz OMLZASHWXPYXAA-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000156455854 396061979 /nfs/dbraw/zinc/06/19/79/396061979.db2.gz SUUVPBIRTPVZIU-GXSJLCMTSA-N 1 0 315.351 0.332 20 5 DCBDRO COc1ccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)cc1[N+](=O)[O-] ZINC000261796836 396067491 /nfs/dbraw/zinc/06/74/91/396067491.db2.gz NYARKJOXRYFAOG-CQSZACIVSA-N 1 0 323.349 0.974 20 5 DCBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCO1 ZINC000279102073 396153369 /nfs/dbraw/zinc/15/33/69/396153369.db2.gz RDHWIPSGIAKBMW-QWHCGFSZSA-N 1 0 311.338 0.540 20 5 DCBDRO COC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177465423 396176816 /nfs/dbraw/zinc/17/68/16/396176816.db2.gz BSLZUQSPYUSFLY-AAEUAGOBSA-N 1 0 312.326 0.037 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000077817297 396234660 /nfs/dbraw/zinc/23/46/60/396234660.db2.gz XEFOUJLLMSWDBC-LLVKDONJSA-N 1 0 320.349 0.910 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000082992283 396312228 /nfs/dbraw/zinc/31/22/28/396312228.db2.gz GKKOXGGRMRNPOO-UHFFFAOYSA-N 1 0 308.338 0.860 20 5 DCBDRO C[N@@H+](Cc1cccc(O)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000080918552 396289261 /nfs/dbraw/zinc/28/92/61/396289261.db2.gz ODPBMMBAJIBZLQ-AWEZNQCLSA-N 1 0 306.322 0.990 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184384903 396293727 /nfs/dbraw/zinc/29/37/27/396293727.db2.gz WNUHRHANVPJCIS-LLVKDONJSA-N 1 0 321.381 0.543 20 5 DCBDRO COC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000184516516 396297475 /nfs/dbraw/zinc/29/74/75/396297475.db2.gz XVUPLJYMZCKFBH-NWDGAFQWSA-N 1 0 310.310 0.723 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000286022411 396370151 /nfs/dbraw/zinc/37/01/51/396370151.db2.gz JVJDVSCARPVRIN-GFCCVEGCSA-N 1 0 319.365 0.297 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269107307 396386285 /nfs/dbraw/zinc/38/62/85/396386285.db2.gz FFAPZSDGCNGGNF-GFCCVEGCSA-N 1 0 320.349 0.664 20 5 DCBDRO CN(C(=O)Cn1ccc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286298154 396386336 /nfs/dbraw/zinc/38/63/36/396386336.db2.gz SHOIPLBDHGWQOL-FOSCPWQOSA-N 1 0 307.354 0.875 20 5 DCBDRO CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000269147658 396389775 /nfs/dbraw/zinc/38/97/75/396389775.db2.gz HTEXCOWPDDUSOL-CYBMUJFWSA-N 1 0 320.349 0.535 20 5 DCBDRO CN(C(=O)Cn1cc([N+](=O)[O-])cn1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286133858 396376235 /nfs/dbraw/zinc/37/62/35/396376235.db2.gz HMIMDBWRJBYWNT-FOSCPWQOSA-N 1 0 307.354 0.875 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000193281682 396447984 /nfs/dbraw/zinc/44/79/84/396447984.db2.gz QNHORGQIIQAKMT-ZETCQYMHSA-N 1 0 321.330 0.710 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000519603297 396519892 /nfs/dbraw/zinc/51/98/92/396519892.db2.gz HQENLGIJDYLZMU-DTWKUNHWSA-N 1 0 324.337 0.784 20 5 DCBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)O ZINC000581245984 396537790 /nfs/dbraw/zinc/53/77/90/396537790.db2.gz COEFEOPJUDULLG-ZJUUUORDSA-N 1 0 317.367 0.232 20 5 DCBDRO Cc1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000581677570 396575241 /nfs/dbraw/zinc/57/52/41/396575241.db2.gz GHCKQIATFUFCPG-QWHCGFSZSA-N 1 0 318.333 0.287 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)n1 ZINC000595596672 396636651 /nfs/dbraw/zinc/63/66/51/396636651.db2.gz NAHVHXSAXAAEII-AWEZNQCLSA-N 1 0 324.381 0.949 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCN2CCOCC2)CC2CC2)c1 ZINC000595808678 396665863 /nfs/dbraw/zinc/66/58/63/396665863.db2.gz PEKVEVUQXMZDGQ-UHFFFAOYSA-N 1 0 323.397 0.836 20 5 DCBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595902313 396679613 /nfs/dbraw/zinc/67/96/13/396679613.db2.gz KNRMANUAXLJEHY-UTUOFQBUSA-N 1 0 312.326 0.084 20 5 DCBDRO Nc1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862461 396696029 /nfs/dbraw/zinc/69/60/29/396696029.db2.gz BRFBKASRIDNOAI-WDEREUQCSA-N 1 0 320.349 0.458 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000595983009 396702504 /nfs/dbraw/zinc/70/25/04/396702504.db2.gz MNJHRLNACXUQJE-NXEZZACHSA-N 1 0 324.337 0.517 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000595983011 396702768 /nfs/dbraw/zinc/70/27/68/396702768.db2.gz MNJHRLNACXUQJE-VHSXEESVSA-N 1 0 324.337 0.517 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000595991355 396704877 /nfs/dbraw/zinc/70/48/77/396704877.db2.gz HIYZUCCAUYZYNN-BONVTDFDSA-N 1 0 320.349 0.581 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000563144496 396708107 /nfs/dbraw/zinc/70/81/07/396708107.db2.gz WTEPYCIGZTZFTE-ZFWWWQNUSA-N 1 0 320.349 0.518 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000315843878 396790649 /nfs/dbraw/zinc/79/06/49/396790649.db2.gz FRZONLBLXIRVSB-UHFFFAOYSA-N 1 0 307.354 0.964 20 5 DCBDRO CC(C)CO[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044630 396733957 /nfs/dbraw/zinc/73/39/57/396733957.db2.gz KVSBWWRZHJFHEV-UONOGXRCSA-N 1 0 312.370 0.899 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOCC2CCCC2)c1 ZINC000313262493 396769494 /nfs/dbraw/zinc/76/94/94/396769494.db2.gz KIOJWPVKRIYXBF-CQSZACIVSA-N 1 0 312.370 0.949 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000328284791 396822078 /nfs/dbraw/zinc/82/20/78/396822078.db2.gz ZMLLRXZUPBNRLI-TZMCWYRMSA-N 1 0 318.333 0.746 20 5 DCBDRO CC(C)(CO)[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000611185934 396829870 /nfs/dbraw/zinc/82/98/70/396829870.db2.gz RRNAUWKAXBPOLA-UHFFFAOYSA-N 1 0 324.381 0.145 20 5 DCBDRO Cc1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000590754391 396833030 /nfs/dbraw/zinc/83/30/30/396833030.db2.gz DSUPACFDPBYVRR-AWEZNQCLSA-N 1 0 305.338 0.988 20 5 DCBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000564854915 396884382 /nfs/dbraw/zinc/88/43/82/396884382.db2.gz QCJYOAPSEQPCFG-MNOVXSKESA-N 1 0 311.338 0.401 20 5 DCBDRO [NH3+]C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000591284863 396893196 /nfs/dbraw/zinc/89/31/96/396893196.db2.gz DJVXYKRNOZOLBV-GFCCVEGCSA-N 1 0 323.349 0.916 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1C[NH2+]CCCO1)OCCO2 ZINC000591281765 396893949 /nfs/dbraw/zinc/89/39/49/396893949.db2.gz DHUHJUNVNOJRGG-LBPRGKRZSA-N 1 0 323.349 0.834 20 5 DCBDRO O=C([C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1)N1CC[NH2+]CC1 ZINC000591425688 396917892 /nfs/dbraw/zinc/91/78/92/396917892.db2.gz GCPBNRPBQJQEMB-LBPRGKRZSA-N 1 0 319.365 0.638 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[NH2+][C@H]3C2)n1 ZINC000591437750 396921310 /nfs/dbraw/zinc/92/13/10/396921310.db2.gz KANHBKSCLUXFKF-KOLCDFICSA-N 1 0 306.322 0.965 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCOCC[NH3+] ZINC000600735780 396934020 /nfs/dbraw/zinc/93/40/20/396934020.db2.gz VIDRMIAUVMULNN-UHFFFAOYSA-N 1 0 310.354 0.749 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600806657 396945887 /nfs/dbraw/zinc/94/58/87/396945887.db2.gz DHYKZEWPJVLIBN-JTQLQIEISA-N 1 0 319.321 0.268 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@H](O)C1 ZINC000600806808 396946097 /nfs/dbraw/zinc/94/60/97/396946097.db2.gz GVJXJYLUNCYXGG-LBPRGKRZSA-N 1 0 309.322 0.156 20 5 DCBDRO O=C1C[C@@]2(CN1)CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000341678073 396980001 /nfs/dbraw/zinc/98/00/01/396980001.db2.gz WNCKXFCLBMVMLJ-OAHLLOKOSA-N 1 0 320.349 0.359 20 5 DCBDRO CN1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591747751 396995398 /nfs/dbraw/zinc/99/53/98/396995398.db2.gz FKICHUWDZPKRMI-GXTWGEPZSA-N 1 0 323.349 0.545 20 5 DCBDRO C[C@@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000591771763 397001797 /nfs/dbraw/zinc/00/17/97/397001797.db2.gz KGTNYPVFUKNCDT-NSHDSACASA-N 1 0 315.395 0.908 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597655547 397046209 /nfs/dbraw/zinc/04/62/09/397046209.db2.gz YKNGVKZTGWYLQW-FPMFFAJLSA-N 1 0 307.350 0.737 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597654508 397046776 /nfs/dbraw/zinc/04/67/76/397046776.db2.gz SDGAPNSJAYVGEI-JTQLQIEISA-N 1 0 313.379 0.726 20 5 DCBDRO CC[N@H+](C)C[C@@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000572374924 397053013 /nfs/dbraw/zinc/05/30/13/397053013.db2.gz FAWADCREIOUCJN-CYBMUJFWSA-N 1 0 323.397 0.424 20 5 DCBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000619578240 397153210 /nfs/dbraw/zinc/15/32/10/397153210.db2.gz DPPGMXPYBLSRSS-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO C[C@@H](CCC[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592337140 397155435 /nfs/dbraw/zinc/15/54/35/397155435.db2.gz GFFOMHZNYDYBLM-NSHDSACASA-N 1 0 322.365 0.958 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592371025 397162761 /nfs/dbraw/zinc/16/27/61/397162761.db2.gz BBYBEQYALVWHJS-BDAKNGLRSA-N 1 0 300.340 0.348 20 5 DCBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601422256 397113045 /nfs/dbraw/zinc/11/30/45/397113045.db2.gz RJEYQUAPBPEFJV-UWVGGRQHSA-N 1 0 314.367 0.703 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000592468977 397184194 /nfs/dbraw/zinc/18/41/94/397184194.db2.gz SBMQHCSFKNUQGW-UHFFFAOYSA-N 1 0 322.365 0.337 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592474889 397185188 /nfs/dbraw/zinc/18/51/88/397185188.db2.gz JLTKYXFXBIHALP-SMDDNHRTSA-N 1 0 322.365 0.890 20 5 DCBDRO [NH3+]C[C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592471521 397185664 /nfs/dbraw/zinc/18/56/64/397185664.db2.gz VUJVMUOKNXSHKK-LLVKDONJSA-N 1 0 313.379 0.649 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000592476783 397187332 /nfs/dbraw/zinc/18/73/32/397187332.db2.gz ZEZVACSNPKJNDL-ZDUSSCGKSA-N 1 0 318.377 0.962 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475154 397187617 /nfs/dbraw/zinc/18/76/17/397187617.db2.gz WKIXYVJXWBASMV-BXUZGUMPSA-N 1 0 322.365 0.971 20 5 DCBDRO Cc1nccn1CCCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573795043 397205602 /nfs/dbraw/zinc/20/56/02/397205602.db2.gz JWOWGXUMWMWLJC-AWEZNQCLSA-N 1 0 322.369 0.727 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000378230761 397215716 /nfs/dbraw/zinc/21/57/16/397215716.db2.gz QLCJABUYESQKMB-CYBMUJFWSA-N 1 0 307.354 0.782 20 5 DCBDRO CC(C)Oc1nc(N2CCN(C)C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000601980451 397280065 /nfs/dbraw/zinc/28/00/65/397280065.db2.gz XQQKTGUINCMAQR-LLVKDONJSA-N 1 0 310.354 0.890 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000574663813 397289307 /nfs/dbraw/zinc/28/93/07/397289307.db2.gz QNZWGVRMISJZMW-UHFFFAOYSA-N 1 0 324.337 0.658 20 5 DCBDRO C[C@@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000598893704 397303771 /nfs/dbraw/zinc/30/37/71/397303771.db2.gz BSMTWYSRYZALMO-JTQLQIEISA-N 1 0 323.353 0.783 20 5 DCBDRO CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000598914068 397306600 /nfs/dbraw/zinc/30/66/00/397306600.db2.gz WWLYYLXNVSRWEJ-LBPRGKRZSA-N 1 0 306.322 0.729 20 5 DCBDRO C[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CC[NH3+] ZINC000593917658 397479584 /nfs/dbraw/zinc/47/95/84/397479584.db2.gz XHJKNVFJRVINOI-WCQYABFASA-N 1 0 322.365 0.732 20 5 DCBDRO O=C1C[C@H]([NH2+]C2CCOCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593921268 397480986 /nfs/dbraw/zinc/48/09/86/397480986.db2.gz UAUJJGUOSFJLMW-ZDUSSCGKSA-N 1 0 319.317 0.995 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000579375656 397562162 /nfs/dbraw/zinc/56/21/62/397562162.db2.gz QBTYSLDFNYYNQY-CMPLNLGQSA-N 1 0 318.333 0.287 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371237555 397562300 /nfs/dbraw/zinc/56/23/00/397562300.db2.gz CROIKIDXLZLFAN-OAHLLOKOSA-N 1 0 318.377 0.943 20 5 DCBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000579470475 397572542 /nfs/dbraw/zinc/57/25/42/397572542.db2.gz KBUVXXPRFRDIQM-AWEZNQCLSA-N 1 0 304.306 0.769 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599778498 397525077 /nfs/dbraw/zinc/52/50/77/397525077.db2.gz FXQFXRICYBORJM-NSHDSACASA-N 1 0 324.337 0.792 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000594358955 397532602 /nfs/dbraw/zinc/53/26/02/397532602.db2.gz AFZOSSGUJVBAAA-STQMWFEESA-N 1 0 311.313 0.410 20 5 DCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000609269902 397768451 /nfs/dbraw/zinc/76/84/51/397768451.db2.gz ZJOLDIZGXFOKPD-JTQLQIEISA-N 1 0 311.342 0.467 20 5 DCBDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610263291 397810306 /nfs/dbraw/zinc/81/03/06/397810306.db2.gz RCUMSBRSRICVHJ-SNVBAGLBSA-N 1 0 314.367 0.610 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000171451829 158383537 /nfs/dbraw/zinc/38/35/37/158383537.db2.gz VMWPETGFZIQVPG-LLVKDONJSA-N 1 0 307.354 0.947 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000234812549 158631534 /nfs/dbraw/zinc/63/15/34/158631534.db2.gz PEDLKWSYYQBZQN-SCZZXKLOSA-N 1 0 315.351 0.571 20 5 DCBDRO CC(C)(O)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000321957381 159011779 /nfs/dbraw/zinc/01/17/79/159011779.db2.gz FEWHQKSEEFNLQL-UHFFFAOYSA-N 1 0 324.337 0.224 20 5 DCBDRO CN(C(=O)C[N@@H+]1CC[C@@H](CC(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000367372995 159334128 /nfs/dbraw/zinc/33/41/28/159334128.db2.gz VYQCAWPXYVRSTM-NSHDSACASA-N 1 0 320.349 0.755 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415431774 287236516 /nfs/dbraw/zinc/23/65/16/287236516.db2.gz KQUYLIQLKMDFII-SNVBAGLBSA-N 1 0 320.349 0.916 20 5 DCBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC([NH3+])C1 ZINC000420344905 287293182 /nfs/dbraw/zinc/29/31/82/287293182.db2.gz YSBYNUDBGJHANL-UHFFFAOYSA-N 1 0 304.350 0.905 20 5 DCBDRO C[NH2+]CCCN(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000420388206 287294935 /nfs/dbraw/zinc/29/49/35/287294935.db2.gz LHAKCBLTUONNFA-UHFFFAOYSA-N 1 0 324.337 0.803 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268189739 415172971 /nfs/dbraw/zinc/17/29/71/415172971.db2.gz MVNJQPPWAJUJEL-LDYMZIIASA-N 1 0 307.354 0.849 20 5 DCBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1CCO ZINC000332239005 415308542 /nfs/dbraw/zinc/30/85/42/415308542.db2.gz OTJYPKIYHBFZRY-LLVKDONJSA-N 1 0 319.365 0.970 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353250377 415485605 /nfs/dbraw/zinc/48/56/05/415485605.db2.gz MQCRDKKAJQLFOY-SECBINFHSA-N 1 0 317.371 0.089 20 5 DCBDRO CC(C)[N@H+](C)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343232911 415510051 /nfs/dbraw/zinc/51/00/51/415510051.db2.gz PCIBHCSLWACYIB-UHFFFAOYSA-N 1 0 310.354 0.603 20 5 DCBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000343723194 415698474 /nfs/dbraw/zinc/69/84/74/415698474.db2.gz NCBHFGVOWDNSAM-ZYHUDNBSSA-N 1 0 309.322 0.155 20 5 DCBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000343723190 415699045 /nfs/dbraw/zinc/69/90/45/415699045.db2.gz NCBHFGVOWDNSAM-JQWIXIFHSA-N 1 0 309.322 0.155 20 5 DCBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000343844037 415750787 /nfs/dbraw/zinc/75/07/87/415750787.db2.gz DEZXGUSGWAVMKO-UHFFFAOYSA-N 1 0 311.342 0.283 20 5 DCBDRO C[NH2+]CCCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000121040123 415793279 /nfs/dbraw/zinc/79/32/79/415793279.db2.gz AGZWECQZWBOFNA-SNVBAGLBSA-N 1 0 308.338 0.439 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344259164 415877133 /nfs/dbraw/zinc/87/71/33/415877133.db2.gz LRZVGYHXUDSXIT-UHFFFAOYSA-N 1 0 310.329 0.711 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000356227660 415888196 /nfs/dbraw/zinc/88/81/96/415888196.db2.gz ZNNZGXYETDLTCV-UHFFFAOYSA-N 1 0 311.342 0.169 20 5 DCBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000356264850 415892574 /nfs/dbraw/zinc/89/25/74/415892574.db2.gz XBRWYEVYNSTMNN-ZDUSSCGKSA-N 1 0 308.342 0.131 20 5 DCBDRO C[C@@H]1CCC[N@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000133583292 415948714 /nfs/dbraw/zinc/94/87/14/415948714.db2.gz NSBOPDNNNCZWAF-GFCCVEGCSA-N 1 0 324.385 0.822 20 5 DCBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356739784 415979784 /nfs/dbraw/zinc/97/97/84/415979784.db2.gz KEQSTNRFXCRPIY-LLVKDONJSA-N 1 0 310.354 0.601 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153494752 415982354 /nfs/dbraw/zinc/98/23/54/415982354.db2.gz LQAPUFHPBOPWIL-HNNXBMFYSA-N 1 0 309.366 0.956 20 5 DCBDRO [NH3+][C@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000158042716 415999566 /nfs/dbraw/zinc/99/95/66/415999566.db2.gz GJAXCUJKOPGMLY-NSHDSACASA-N 1 0 321.333 0.858 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000299147556 416055520 /nfs/dbraw/zinc/05/55/20/416055520.db2.gz JXKAQWNDYFPYMR-QWRGUYRKSA-N 1 0 307.354 0.993 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301137885 416076974 /nfs/dbraw/zinc/07/69/74/416076974.db2.gz DNEZFQJYABCCBU-CYBMUJFWSA-N 1 0 319.365 0.733 20 5 DCBDRO CC(C)[N@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000301510150 416084805 /nfs/dbraw/zinc/08/48/05/416084805.db2.gz ALBDKOJKKZZRMD-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](CC3CCOCC3)CC2)n1 ZINC000176249186 416122819 /nfs/dbraw/zinc/12/28/19/416122819.db2.gz LFANVOXSGVBKTC-UHFFFAOYSA-N 1 0 323.397 0.836 20 5 DCBDRO [NH3+]C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000358132550 416199746 /nfs/dbraw/zinc/19/97/46/416199746.db2.gz DEBLFGQTMCCDHA-GFCCVEGCSA-N 1 0 319.321 0.804 20 5 DCBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331426971 416311356 /nfs/dbraw/zinc/31/13/56/416311356.db2.gz SOKVFOZUKRZNBX-QWRGUYRKSA-N 1 0 308.342 0.272 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358887165 416288944 /nfs/dbraw/zinc/28/89/44/416288944.db2.gz NXQQEPGLOWKEGU-UHFFFAOYSA-N 1 0 308.342 0.179 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415411065 416341711 /nfs/dbraw/zinc/34/17/11/416341711.db2.gz GQCKJDROMKVOHI-SECBINFHSA-N 1 0 308.338 0.813 20 5 DCBDRO CN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1C[NH2+]C1 ZINC000415738809 416352386 /nfs/dbraw/zinc/35/23/86/416352386.db2.gz UDWCKEARBAYLNA-UHFFFAOYSA-N 1 0 312.713 0.617 20 5 DCBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000420280392 416418006 /nfs/dbraw/zinc/41/80/06/416418006.db2.gz LFJSMAMWZXAZMK-HZNSRWLBSA-N 1 0 302.338 1.565 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419762070 416409596 /nfs/dbraw/zinc/40/95/96/416409596.db2.gz RFUAKLWVGOANRW-UHFFFAOYSA-N 1 0 322.365 0.635 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361079748 416420507 /nfs/dbraw/zinc/42/05/07/416420507.db2.gz MAMCSIBLLTUJDB-CHWSQXEVSA-N 1 0 307.354 0.686 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361105086 416421787 /nfs/dbraw/zinc/42/17/87/416421787.db2.gz GOGVFJYHIIPOCD-OLZOCXBDSA-N 1 0 321.381 0.994 20 5 DCBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)CN(C)C ZINC000361215242 416426211 /nfs/dbraw/zinc/42/62/11/416426211.db2.gz IEKWMJBNDPAGDB-BXUZGUMPSA-N 1 0 324.381 0.824 20 5 DCBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C(N)=O)CC1 ZINC000361585422 416454498 /nfs/dbraw/zinc/45/44/98/416454498.db2.gz IHIRMERBNXALEA-SECBINFHSA-N 1 0 306.322 0.919 20 5 DCBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000434058937 416457444 /nfs/dbraw/zinc/45/74/44/416457444.db2.gz WSVQCQOGZKVUNF-MNOVXSKESA-N 1 0 308.342 0.272 20 5 DCBDRO C[NH2+]CCN(C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423517937 416519131 /nfs/dbraw/zinc/51/91/31/416519131.db2.gz OMMKGKNSEWVOPC-UHFFFAOYSA-N 1 0 308.338 0.311 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595952984 416573231 /nfs/dbraw/zinc/57/32/31/416573231.db2.gz VYEBPTDHOWCTOT-LDYMZIIASA-N 1 0 305.294 0.773 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000514782120 416675705 /nfs/dbraw/zinc/67/57/05/416675705.db2.gz ZLANMRLZGPVWPK-UHFFFAOYSA-N 1 0 321.337 0.457 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429102108 287335106 /nfs/dbraw/zinc/33/51/06/287335106.db2.gz YTTJFJWBMNXBCP-WDEREUQCSA-N 1 0 324.385 0.695 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489690 416987165 /nfs/dbraw/zinc/98/71/65/416987165.db2.gz BTLZWKFIQPWBOP-KGLIPLIRSA-N 1 0 304.350 0.381 20 5 DCBDRO Cc1ccccc1[C@@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000295787838 225235760 /nfs/dbraw/zinc/23/57/60/225235760.db2.gz RXIXSHWZHJFCQM-CYBMUJFWSA-N 1 0 303.322 0.916 20 5 DCBDRO [NH3+]C1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000449354280 417140266 /nfs/dbraw/zinc/14/02/66/417140266.db2.gz LVQJOLPGYHSKIG-SNVBAGLBSA-N 1 0 305.338 0.884 20 5 DCBDRO O=C1NC(=O)[C@@H]2C[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000449522518 417147970 /nfs/dbraw/zinc/14/79/70/417147970.db2.gz LFIXRFFVXWOBIU-OIWRZFCRSA-N 1 0 301.302 0.812 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449566561 417151904 /nfs/dbraw/zinc/15/19/04/417151904.db2.gz PJSOJPPYZUKEGF-ZRUFSTJUSA-N 1 0 322.369 0.161 20 5 DCBDRO C[NH2+]CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000568609857 417154349 /nfs/dbraw/zinc/15/43/49/417154349.db2.gz XZEZMJHRKXXCTQ-UHFFFAOYSA-N 1 0 308.342 0.041 20 5 DCBDRO COC(=O)Cc1ccc(NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000450439926 417228648 /nfs/dbraw/zinc/22/86/48/417228648.db2.gz PCDSSSYRUHOXMZ-HNNXBMFYSA-N 1 0 323.349 0.789 20 5 DCBDRO CC1=CCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000569805021 417295129 /nfs/dbraw/zinc/29/51/29/417295129.db2.gz WQSQUPSNCWTAHV-CQSZACIVSA-N 1 0 309.370 0.394 20 5 DCBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000569458606 417255834 /nfs/dbraw/zinc/25/58/34/417255834.db2.gz CNTHOUZLQIAHPX-ZDUSSCGKSA-N 1 0 304.350 0.778 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000415282332 417356027 /nfs/dbraw/zinc/35/60/27/417356027.db2.gz KUDHCCNTOWNWHR-UHFFFAOYSA-N 1 0 322.321 0.364 20 5 DCBDRO CN(C)C(=O)N[C@H]1CCCN(CCn2ccc([N+](=O)[O-])n2)C1 ZINC000451997262 417429006 /nfs/dbraw/zinc/42/90/06/417429006.db2.gz RADNBBZECBBJPZ-NSHDSACASA-N 1 0 310.358 0.527 20 5 DCBDRO COC[C@@]1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000415379865 417377603 /nfs/dbraw/zinc/37/76/03/417377603.db2.gz FYWLQRDUYDPBHY-ZDUSSCGKSA-N 1 0 309.326 0.302 20 5 DCBDRO CCOc1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571209284 417436182 /nfs/dbraw/zinc/43/61/82/417436182.db2.gz YQIHOMCFFWZXIF-LBPRGKRZSA-N 1 0 322.365 0.708 20 5 DCBDRO O=C(CCN1CC[NH+](CCO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000298127474 228370377 /nfs/dbraw/zinc/37/03/77/228370377.db2.gz WIKDQOBZQSUWAU-UHFFFAOYSA-N 1 0 322.365 0.533 20 5 DCBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000299550716 229201617 /nfs/dbraw/zinc/20/16/17/229201617.db2.gz VYMVZIDGVUFBPF-GFCCVEGCSA-N 1 0 322.365 0.605 20 5 DCBDRO C[NH+](C)CCSc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302116250 230103266 /nfs/dbraw/zinc/10/32/66/230103266.db2.gz CUTAWKQWMUPIGP-UHFFFAOYSA-N 1 0 305.381 0.896 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)s1 ZINC000237970585 261164338 /nfs/dbraw/zinc/16/43/38/261164338.db2.gz DZSFLJBDDDUSLZ-QMMMGPOBSA-N 1 0 305.381 0.934 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000242437927 261165769 /nfs/dbraw/zinc/16/57/69/261165769.db2.gz BLIPWJVKLVLNKV-UHFFFAOYSA-N 1 0 323.353 0.630 20 5 DCBDRO NC(=O)c1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC000318533995 261176155 /nfs/dbraw/zinc/17/61/55/261176155.db2.gz JMFNRECUVJQOOO-SMDDNHRTSA-N 1 0 304.350 0.878 20 5 DCBDRO O=C1CNCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000362686165 262061342 /nfs/dbraw/zinc/06/13/42/262061342.db2.gz UMWHDUDYCSQVLQ-HNNXBMFYSA-N 1 0 318.377 0.991 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413139572 262202727 /nfs/dbraw/zinc/20/27/27/262202727.db2.gz QUVXAGWQLYLKDD-NSHDSACASA-N 1 0 311.317 0.881 20 5 DCBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000417916525 262265169 /nfs/dbraw/zinc/26/51/69/262265169.db2.gz VKSVWIYYPPRCHH-HAQNSBGRSA-N 1 0 324.385 0.856 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418768618 262288362 /nfs/dbraw/zinc/28/83/62/262288362.db2.gz PELZEYDSMMSFAX-LBPRGKRZSA-N 1 0 308.338 0.725 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418773345 262288603 /nfs/dbraw/zinc/28/86/03/262288603.db2.gz BXYMSEYCEBATKU-ZWNOBZJWSA-N 1 0 320.349 0.722 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCC[NH2+]CC2)cc1 ZINC000420277001 262368330 /nfs/dbraw/zinc/36/83/30/262368330.db2.gz SPBBDGIABZCVLO-UHFFFAOYSA-N 1 0 313.379 0.664 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000423104833 262429031 /nfs/dbraw/zinc/42/90/31/262429031.db2.gz QFIXBCZFUXGPAZ-NSHDSACASA-N 1 0 320.349 0.374 20 5 DCBDRO CNc1c(C(=O)NC[C@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000360951616 271169562 /nfs/dbraw/zinc/16/95/62/271169562.db2.gz QRAMZCBCFVKJJF-AWEZNQCLSA-N 1 0 310.354 0.679 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418875169 271260225 /nfs/dbraw/zinc/26/02/25/271260225.db2.gz VZIDTLSBFHHOFQ-LBPRGKRZSA-N 1 0 320.349 0.122 20 5 DCBDRO C[NH2+]C[C@@H](C)CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000420220968 271366735 /nfs/dbraw/zinc/36/67/35/271366735.db2.gz ZMTPZRIYGXHDPI-MRVPVSSYSA-N 1 0 302.356 0.510 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000449697865 271859988 /nfs/dbraw/zinc/85/99/88/271859988.db2.gz MJPNAUDKYXBHFK-JTQLQIEISA-N 1 0 312.757 0.882 20 5 DCBDRO CN1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000493689095 272204846 /nfs/dbraw/zinc/20/48/46/272204846.db2.gz QQEZWARWMQNXRG-DXTPNHAXSA-N 1 0 322.340 0.848 20 5 DCBDRO CN1C[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)OC1=O ZINC000495662819 272263686 /nfs/dbraw/zinc/26/36/86/272263686.db2.gz XGFHLYZYEHFGPB-LLVKDONJSA-N 1 0 309.326 0.879 20 5 DCBDRO C[N@@H+]1CCCC12CCN(C(=O)Cn1ccc([N+](=O)[O-])n1)CC2 ZINC000378510796 277041386 /nfs/dbraw/zinc/04/13/86/277041386.db2.gz IGHDJZOMLUMBHP-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000546719805 288028185 /nfs/dbraw/zinc/02/81/85/288028185.db2.gz GOFVHYZMYPCELO-UHFFFAOYSA-N 1 0 310.354 0.681 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000549181313 288194282 /nfs/dbraw/zinc/19/42/82/288194282.db2.gz OQLXOCIXRHZNRR-NSHDSACASA-N 1 0 322.369 0.170 20 5 DCBDRO C[C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000562993578 288613846 /nfs/dbraw/zinc/61/38/46/288613846.db2.gz JSPUQJWPHQLQEJ-JTQLQIEISA-N 1 0 302.352 0.996 20 5 DCBDRO NC(=O)CC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000563008299 288615670 /nfs/dbraw/zinc/61/56/70/288615670.db2.gz URUFIYCPZLJLLX-GFCCVEGCSA-N 1 0 323.349 0.580 20 5 DCBDRO COc1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1[N+](=O)[O-] ZINC000563451589 288677914 /nfs/dbraw/zinc/67/79/14/288677914.db2.gz NBWZTISBRJCFKO-UHFFFAOYSA-N 1 0 320.309 0.084 20 5 DCBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000564854912 288778250 /nfs/dbraw/zinc/77/82/50/288778250.db2.gz QCJYOAPSEQPCFG-GHMZBOCLSA-N 1 0 311.338 0.401 20 5 DCBDRO COc1ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000565786853 288878793 /nfs/dbraw/zinc/87/87/93/288878793.db2.gz SBUOXAVEXIQLFY-UHFFFAOYSA-N 1 0 324.337 0.027 20 5 DCBDRO Cc1cnc(N2CCC[C@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262289120 292906845 /nfs/dbraw/zinc/90/68/45/292906845.db2.gz MYJLFGPMGUZMRW-NSHDSACASA-N 1 0 307.354 0.590 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000582241845 336391131 /nfs/dbraw/zinc/39/11/31/336391131.db2.gz LZOGUJNHHYJIAD-WDEREUQCSA-N 1 0 322.365 0.496 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301990209 533841668 /nfs/dbraw/zinc/84/16/68/533841668.db2.gz MBUGWQJGTMAAEM-NSHDSACASA-N 1 0 319.369 0.685 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415754868 534367391 /nfs/dbraw/zinc/36/73/91/534367391.db2.gz ZZAJOTVTNGYOOZ-GHMZBOCLSA-N 1 0 318.333 0.601 20 5 DCBDRO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H](C)[NH3+] ZINC000248980654 524134565 /nfs/dbraw/zinc/13/45/65/524134565.db2.gz FNKJEPNVPQRJFM-OUAUKWLOSA-N 1 0 307.354 0.986 20 5 DCBDRO C[C@@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000188449301 524858720 /nfs/dbraw/zinc/85/87/20/524858720.db2.gz JSZUSFRMMGUNIU-SNVBAGLBSA-N 1 0 316.321 0.609 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000237665163 525560527 /nfs/dbraw/zinc/56/05/27/525560527.db2.gz UHFYNVNHUYPBAM-UHFFFAOYSA-N 1 0 306.366 0.928 20 5 DCBDRO C[C@@H](O)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000190890448 525787234 /nfs/dbraw/zinc/78/72/34/525787234.db2.gz MYWQEMXQBCABKV-VHSXEESVSA-N 1 0 311.338 0.257 20 5 DCBDRO CC(C)(C)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331329776 526677860 /nfs/dbraw/zinc/67/78/60/526677860.db2.gz QPQSHVFNZDHVML-OLZOCXBDSA-N 1 0 312.370 0.899 20 5 DCBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC[NH+]1CCCC1 ZINC000823625476 607163101 /nfs/dbraw/zinc/16/31/01/607163101.db2.gz WKTBRNNCJLSYHA-UHFFFAOYSA-N 1 0 304.314 0.678 20 5 DCBDRO [NH3+][C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000261951612 658229962 /nfs/dbraw/zinc/22/99/62/658229962.db2.gz PRVQOMJQEBLXKD-LLVKDONJSA-N 1 0 316.321 0.643 20 5 DCBDRO Cc1noc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC000934271279 658264153 /nfs/dbraw/zinc/26/41/53/658264153.db2.gz GFEPIFBPIWPTSO-NWDGAFQWSA-N 1 0 310.354 0.922 20 5 DCBDRO CCc1onc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020140090 659671695 /nfs/dbraw/zinc/67/16/95/659671695.db2.gz YCYKAQONDJDMJZ-PRULPYPASA-N 1 0 322.365 0.947 20 5 DCBDRO C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000893027489 659685180 /nfs/dbraw/zinc/68/51/80/659685180.db2.gz VLHAWRNZVKYZON-NEPJUHHUSA-N 1 0 324.385 0.908 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000261649912 661347450 /nfs/dbraw/zinc/34/74/50/661347450.db2.gz DYOOQFQYMCIEOI-UWVGGRQHSA-N 1 0 324.337 0.517 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000261775576 661641892 /nfs/dbraw/zinc/64/18/92/661641892.db2.gz WKRANRHZDYIEFT-PSASIEDQSA-N 1 0 315.351 0.714 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000261798935 661703532 /nfs/dbraw/zinc/70/35/32/661703532.db2.gz YNEGYAFKWHZDHL-WCBMZHEXSA-N 1 0 315.351 0.714 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000895010513 662042824 /nfs/dbraw/zinc/04/28/24/662042824.db2.gz RZAJGYDTQQTBDD-AWEZNQCLSA-N 1 0 305.338 0.974 20 5 DCBDRO COc1c(O)ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1[N+](=O)[O-] ZINC000895166112 662130430 /nfs/dbraw/zinc/13/04/30/662130430.db2.gz QLKFCJIYLBCQQZ-GFCCVEGCSA-N 1 0 323.349 0.560 20 5 DCBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896563218 662291273 /nfs/dbraw/zinc/29/12/73/662291273.db2.gz KMKMADZPOVVSMR-SWLSCSKDSA-N 1 0 320.393 0.888 20 5 DCBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000054266652 662428807 /nfs/dbraw/zinc/42/88/07/662428807.db2.gz NXBFCKHWFLBQIH-UHFFFAOYSA-N 1 0 317.367 0.881 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866921331 662435989 /nfs/dbraw/zinc/43/59/89/662435989.db2.gz QQQGKFOEOCXDFL-CQSZACIVSA-N 1 0 313.329 0.705 20 5 DCBDRO Cc1nnc(CN(C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000985431458 662443645 /nfs/dbraw/zinc/44/36/45/662443645.db2.gz PCJAKFJYPIZDAO-VXGBXAGGSA-N 1 0 323.353 0.466 20 5 DCBDRO CN(C)S(=O)(=O)c1ccc(N(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000054419455 662647916 /nfs/dbraw/zinc/64/79/16/662647916.db2.gz JEZLLILZIBYQPS-UHFFFAOYSA-N 1 0 302.356 0.240 20 5 DCBDRO O=C(NCC1=CC[N@H+](CCn2cccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000674050 665914675 /nfs/dbraw/zinc/91/46/75/665914675.db2.gz LKKBAWNESWYMBK-ZIAGYGMSSA-N 1 0 319.365 0.297 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000899738824 663185349 /nfs/dbraw/zinc/18/53/49/663185349.db2.gz NEGOOSDSKCSHJT-UHFFFAOYSA-N 1 0 309.366 0.913 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000906614186 663623951 /nfs/dbraw/zinc/62/39/51/663623951.db2.gz JNHLHZXUWNQHSH-HUUCEWRRSA-N 1 0 309.366 0.675 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NCCN1CC[NH2+]CC1 ZINC000911695266 664101257 /nfs/dbraw/zinc/10/12/57/664101257.db2.gz JUUKGAJFZSLXNX-UHFFFAOYSA-N 1 0 324.356 0.688 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000730841591 664820096 /nfs/dbraw/zinc/82/00/96/664820096.db2.gz LHFQSMVSNSVCMF-LLVKDONJSA-N 1 0 322.365 0.936 20 5 DCBDRO Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996440852 666786262 /nfs/dbraw/zinc/78/62/62/666786262.db2.gz NIAQOENJFQMJDS-DGCLKSJQSA-N 1 0 308.338 0.729 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cncs2)CC1 ZINC000996429637 666791151 /nfs/dbraw/zinc/79/11/51/666791151.db2.gz QMWVQFMSDLFNBC-VXGBXAGGSA-N 1 0 310.379 0.889 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000861911889 666995193 /nfs/dbraw/zinc/99/51/93/666995193.db2.gz GEVRYCYGAXCCCD-ZOBORPQBSA-N 1 0 305.334 0.647 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000863830436 667187686 /nfs/dbraw/zinc/18/76/86/667187686.db2.gz SWFYOYDJMBNQKB-LBPRGKRZSA-N 1 0 324.293 0.299 20 5 DCBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863833706 667188528 /nfs/dbraw/zinc/18/85/28/667188528.db2.gz UPKFAKMSBVVQSE-QMMMGPOBSA-N 1 0 312.301 0.113 20 5 DCBDRO COCCC1(NC(=O)c2cc([N+](=O)[O-])cn2C)CC[NH2+]CC1 ZINC000868039736 667528560 /nfs/dbraw/zinc/52/85/60/667528560.db2.gz JBDKVHVVYIULAS-UHFFFAOYSA-N 1 0 310.354 0.822 20 5 DCBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000886590659 667780666 /nfs/dbraw/zinc/78/06/66/667780666.db2.gz AXNBIHKLFYRNOJ-LBPRGKRZSA-N 1 0 309.370 0.980 20 5 DCBDRO [NH3+]C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(F)(F)F ZINC000872152169 667870040 /nfs/dbraw/zinc/87/00/40/667870040.db2.gz ZZYROOPDXHONMK-BDAKNGLRSA-N 1 0 307.276 0.860 20 5 DCBDRO NC(=O)c1ccc(N2CC[NH+](CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000750180384 667973625 /nfs/dbraw/zinc/97/36/25/667973625.db2.gz NAICIFYYIXSKEG-UHFFFAOYSA-N 1 0 322.365 0.588 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000874842405 668226368 /nfs/dbraw/zinc/22/63/68/668226368.db2.gz GUODPQODDJGOLR-QWHCGFSZSA-N 1 0 307.354 0.877 20 5 DCBDRO C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763336911 668405346 /nfs/dbraw/zinc/40/53/46/668405346.db2.gz NZOPVRFLBJFQJD-HIFRSBDPSA-N 1 0 322.413 0.707 20 5 DCBDRO C[NH2+]CCOCCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000877024942 668553767 /nfs/dbraw/zinc/55/37/67/668553767.db2.gz TXIZEQFMAJSSSS-UHFFFAOYSA-N 1 0 310.354 0.627 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H](CO)C2CC2)cc1 ZINC000771806905 668752420 /nfs/dbraw/zinc/75/24/20/668752420.db2.gz JOLHHHPAMSEMMP-ZDUSSCGKSA-N 1 0 314.363 0.729 20 5 DCBDRO [NH3+]C1(CO)CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000782140917 669082107 /nfs/dbraw/zinc/08/21/07/669082107.db2.gz HPLFZNQYXSCYQV-UHFFFAOYSA-N 1 0 303.322 0.828 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000931960597 669291958 /nfs/dbraw/zinc/29/19/58/669291958.db2.gz LVKRNJLJLBABLR-UHFFFAOYSA-N 1 0 309.370 0.900 20 5 DCBDRO Cc1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)cc1[N+](=O)[O-] ZINC000881212741 669305607 /nfs/dbraw/zinc/30/56/07/669305607.db2.gz SVPIRNRTXFBIAP-UHFFFAOYSA-N 1 0 316.365 0.948 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000933437296 669491987 /nfs/dbraw/zinc/49/19/87/669491987.db2.gz ZYTUUWKSFJZDPA-JQWIXIFHSA-N 1 0 309.370 0.898 20 5 DCBDRO Nc1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(CO)c1[N+](=O)[O-] ZINC000804397296 670293295 /nfs/dbraw/zinc/29/32/95/670293295.db2.gz WTMZNFWPVVNSIN-OLZOCXBDSA-N 1 0 322.365 0.944 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@@H](CO)C[NH+]1CCCC1 ZINC000808221412 670399958 /nfs/dbraw/zinc/39/99/58/670399958.db2.gz QCZFWNIXKRNWIK-GFCCVEGCSA-N 1 0 322.365 0.580 20 5 DCBDRO CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CC2CCOCC2)C1 ZINC000950055884 670489248 /nfs/dbraw/zinc/48/92/48/670489248.db2.gz PJFGXDNYHJYCDI-ZIAGYGMSSA-N 1 0 311.382 0.611 20 5 DCBDRO COCC[NH+]1CCC(OC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000847882731 670609522 /nfs/dbraw/zinc/60/95/22/670609522.db2.gz VQCWGSJSIGLUES-UHFFFAOYSA-N 1 0 312.326 0.445 20 5 DCBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000855414766 670710908 /nfs/dbraw/zinc/71/09/08/670710908.db2.gz LHALGXUZYACFSG-UHFFFAOYSA-N 1 0 323.397 0.790 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850865551 670950988 /nfs/dbraw/zinc/95/09/88/670950988.db2.gz ZZLHJWUAQDJUPK-SSDOTTSWSA-N 1 0 314.729 0.911 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850868032 670951299 /nfs/dbraw/zinc/95/12/99/670951299.db2.gz WETXZHVNTQDKDM-ZETCQYMHSA-N 1 0 314.729 0.911 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1C[NH2+]CCO1 ZINC000818011654 670961654 /nfs/dbraw/zinc/96/16/54/670961654.db2.gz KZJVPOJSKKZVRR-LBPRGKRZSA-N 1 0 319.321 0.049 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818007768 670961682 /nfs/dbraw/zinc/96/16/82/670961682.db2.gz JLCZOGZJAMCDNL-LLVKDONJSA-N 1 0 310.266 0.221 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2cccnc2)c1 ZINC000819068975 671092217 /nfs/dbraw/zinc/09/22/17/671092217.db2.gz LGLOHDPJGHWRMO-GFCCVEGCSA-N 1 0 307.310 0.216 20 5 DCBDRO Cn1nccc1CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819235518 671104442 /nfs/dbraw/zinc/10/44/42/671104442.db2.gz PXURYKLRUULXCH-CQSZACIVSA-N 1 0 320.349 0.900 20 5 DCBDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840400067 671145772 /nfs/dbraw/zinc/14/57/72/671145772.db2.gz VAJLNQNCXDSHOM-ZIAGYGMSSA-N 1 0 307.350 0.948 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000823961647 671414325 /nfs/dbraw/zinc/41/43/25/671414325.db2.gz HPPSXQPNESBHAC-CYBMUJFWSA-N 1 0 309.326 0.365 20 5 DCBDRO Cc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000825648489 671468775 /nfs/dbraw/zinc/46/87/75/671468775.db2.gz SRHUJLWVSPSLPK-HNNXBMFYSA-N 1 0 318.377 0.909 20 5 DCBDRO CC(C)(CCC(=O)N1CC[NH+](C(C)(C)CO)CC1)[N+](=O)[O-] ZINC000827834372 671538068 /nfs/dbraw/zinc/53/80/68/671538068.db2.gz IGSVHPFNEVWHJR-UHFFFAOYSA-N 1 0 301.387 0.737 20 5 DCBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000830436377 671628054 /nfs/dbraw/zinc/62/80/54/671628054.db2.gz XNUMCYWLCLVZEG-UHFFFAOYSA-N 1 0 322.296 0.908 20 5 DCBDRO Cc1cc(S(=O)(=O)NC[C@@H](C)C[NH3+])cc([N+](=O)[O-])c1F ZINC000842788154 672037327 /nfs/dbraw/zinc/03/73/27/672037327.db2.gz YPJKQCOBSPVVIB-ZETCQYMHSA-N 1 0 305.331 0.915 20 5 DCBDRO Cn1nccc1[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843107831 672062274 /nfs/dbraw/zinc/06/22/74/672062274.db2.gz LAEZCHOGTRFYLM-OCCSQVGLSA-N 1 0 306.322 0.685 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843326052 672082959 /nfs/dbraw/zinc/08/29/59/672082959.db2.gz AECDQHJRTXNVDU-UHFFFAOYSA-N 1 0 303.322 0.760 20 5 DCBDRO [NH3+]CCN(CCO)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843367289 672087551 /nfs/dbraw/zinc/08/75/51/672087551.db2.gz AXYIMFANZNNKIF-UHFFFAOYSA-N 1 0 314.317 0.316 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001020134416 693707553 /nfs/dbraw/zinc/70/75/53/693707553.db2.gz VUMWFXGDGYBPIA-KYZUINATSA-N 1 0 319.325 0.102 20 5 DCBDRO C[C@@](N)(C(=O)NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576081190 1164234573 /nfs/dbraw/zinc/23/45/73/1164234573.db2.gz KLUDDURPKPBFFQ-HNNXBMFYSA-N 1 0 306.366 0.981 20 5 DCBDRO CO[C@]1(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCOC1 ZINC001578926057 1165161374 /nfs/dbraw/zinc/16/13/74/1165161374.db2.gz AVZAYFGNLNILKM-CABCVRRESA-N 1 0 323.349 0.690 20 5 DCBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ncc([N+](=O)[O-])cc1C(N)=O)C2 ZINC001579475843 1165325277 /nfs/dbraw/zinc/32/52/77/1165325277.db2.gz WNEAGINHPGJZSU-OKILXGFUSA-N 1 0 305.338 0.525 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccc1[N+](=O)[O-] ZINC001579564178 1165349423 /nfs/dbraw/zinc/34/94/23/1165349423.db2.gz ZVSBKRHVBWIWOQ-RYUDHWBXSA-N 1 0 318.333 0.206 20 5 DCBDRO Cc1ccc(NCCCNC(=O)[C@H]2OCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001579723491 1165382644 /nfs/dbraw/zinc/38/26/44/1165382644.db2.gz DDUGQCUPHFPYIZ-RISCZKNCSA-N 1 0 322.365 0.938 20 5 DCBDRO [NH3+][C@@]1(CO)CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC001580155515 1165522566 /nfs/dbraw/zinc/52/25/66/1165522566.db2.gz XUHYHMMNQUAKDW-HNNXBMFYSA-N 1 0 322.365 0.633 20 5 DCBDRO [NH3+]C[C@@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC001580233902 1165542657 /nfs/dbraw/zinc/54/26/57/1165542657.db2.gz FVHZYWBREQJCSQ-HNNXBMFYSA-N 1 0 323.349 0.845 20 5 DCBDRO [NH3+]C[C@H](O)C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC001580325502 1165571377 /nfs/dbraw/zinc/57/13/77/1165571377.db2.gz AOGSNEXKEHMGOI-ZDUSSCGKSA-N 1 0 309.322 0.284 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001580579068 1165643764 /nfs/dbraw/zinc/64/37/64/1165643764.db2.gz VCYYMUNOFCURTH-QMMMGPOBSA-N 1 0 303.269 0.152 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001580699483 1165690708 /nfs/dbraw/zinc/69/07/08/1165690708.db2.gz PYMVLJLTBRCJEN-IUODEOHRSA-N 1 0 305.334 0.490 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580718703 1165698927 /nfs/dbraw/zinc/69/89/27/1165698927.db2.gz LHGXLLIAMDTONQ-ZDUSSCGKSA-N 1 0 320.349 0.915 20 5 DCBDRO O=C(N[C@@H]1C[NH2+]C[C@@H]1O)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001580747435 1165709461 /nfs/dbraw/zinc/70/94/61/1165709461.db2.gz QOKFPGFFUGTUQN-APPZFPTMSA-N 1 0 303.677 0.450 20 5 DCBDRO O=C1O[C@@H](CN2CCc3ccc([N+](=O)[O-])cc32)CC12C[NH2+]C2 ZINC001580853878 1165739043 /nfs/dbraw/zinc/73/90/43/1165739043.db2.gz XMDRMUUDKULCBH-GFCCVEGCSA-N 1 0 303.318 0.862 20 5 DCBDRO CC(C)[N@H+](CCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589692665 1166675182 /nfs/dbraw/zinc/67/51/82/1166675182.db2.gz XZYIMNKHQQKQKN-UHFFFAOYSA-N 1 0 306.326 0.978 20 5 DCBDRO C[NH2+]C1(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CCC1 ZINC001591217146 1167163122 /nfs/dbraw/zinc/16/31/22/1167163122.db2.gz XKWAFQUKSRVFTI-UHFFFAOYSA-N 1 0 304.314 0.724 20 5 DCBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H](C)[NH2+]1 ZINC001591773646 1167371127 /nfs/dbraw/zinc/37/11/27/1167371127.db2.gz BNHQICAISFCBAU-DTORHVGOSA-N 1 0 303.326 0.962 20 5 DCBDRO CC[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001609202607 1170865639 /nfs/dbraw/zinc/86/56/39/1170865639.db2.gz MFAFNZKLFAVILF-NOZJJQNGSA-N 1 0 318.337 0.978 20 5 DCBDRO C[NH+](C)CCOCCNc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609268363 1170903745 /nfs/dbraw/zinc/90/37/45/1170903745.db2.gz CMRKIGRAFPKCFG-UHFFFAOYSA-N 1 0 321.341 0.765 20 5 DCBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620540557 1171403327 /nfs/dbraw/zinc/40/33/27/1171403327.db2.gz RPKNINUNWACOJV-TZMCWYRMSA-N 1 0 323.349 0.929 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H](CO)[C@H]3CCOC3)C2)c1 ZINC001621286381 1171408301 /nfs/dbraw/zinc/40/83/01/1171408301.db2.gz XSKVXLARCUTWSD-ZFDZMSFRSA-N 1 0 310.354 0.729 20 5 DCBDRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC001631783158 1171600429 /nfs/dbraw/zinc/60/04/29/1171600429.db2.gz AYTBWTSWHGSDIP-REWJHTLYSA-N 1 0 310.398 0.136 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001638118001 1171786433 /nfs/dbraw/zinc/78/64/33/1171786433.db2.gz BVIAENPYPXYRQU-NSHDSACASA-N 1 0 323.349 0.790 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001640965553 1171900777 /nfs/dbraw/zinc/90/07/77/1171900777.db2.gz PBMGFEGZSGBGST-LLVKDONJSA-N 1 0 322.365 0.754 20 5 DCBDRO Cn1cc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])n1 ZINC001642673509 1171953988 /nfs/dbraw/zinc/95/39/88/1171953988.db2.gz XZHNWIRGRQBSRO-NSHDSACASA-N 1 0 311.342 0.089 20 5 DCBDRO CC(C)(O)[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832961 1172021589 /nfs/dbraw/zinc/02/15/89/1172021589.db2.gz PHGWTAUEETVTQI-CMPLNLGQSA-N 1 0 310.354 0.608 20 5 DCBDRO COc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001660140263 1173950329 /nfs/dbraw/zinc/95/03/29/1173950329.db2.gz WSAYGXNXXKJYOF-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO Cc1c(C[NH2+]C(C)(C)CNS(N)(=O)=O)cccc1[N+](=O)[O-] ZINC001660623023 1174023978 /nfs/dbraw/zinc/02/39/78/1174023978.db2.gz XCZRXSZFGDHSTC-UHFFFAOYSA-N 1 0 316.383 0.565 20 5 DCBDRO COc1ccc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001663377763 1174293374 /nfs/dbraw/zinc/29/33/74/1174293374.db2.gz CBFSHFBNEXVENG-SNVBAGLBSA-N 1 0 318.351 0.099 20 5 DCBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CNC(C)=O ZINC001668349657 1174785723 /nfs/dbraw/zinc/78/57/23/1174785723.db2.gz LFHUNCGZNNXRAD-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO C[C@H]1CC[N@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001678816557 1175679886 /nfs/dbraw/zinc/67/98/86/1175679886.db2.gz HGGGCXGZDGZDMU-NSHDSACASA-N 1 0 310.358 0.432 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237621583 1181032105 /nfs/dbraw/zinc/03/21/05/1181032105.db2.gz YSMSSCQCEAEBDC-TVQRCGJNSA-N 1 0 320.349 0.567 20 5 DCBDRO CCN(CC[NH2+]CCc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715733053 1181965203 /nfs/dbraw/zinc/96/52/03/1181965203.db2.gz ZIVRASVDCIJAMW-CHWSQXEVSA-N 1 0 309.370 0.066 20 5 DCBDRO COc1cc(C)nc(N2CCN3CC[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC001164399506 718833126 /nfs/dbraw/zinc/83/31/26/718833126.db2.gz YOQNFZMFXIXIBL-NSHDSACASA-N 1 0 307.354 0.401 20 5 DCBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923172 721877169 /nfs/dbraw/zinc/87/71/69/721877169.db2.gz JAMXRZABGYKYCQ-KGLIPLIRSA-N 1 0 320.397 0.787 20 5 DCBDRO Cn1cnc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001125676686 747477922 /nfs/dbraw/zinc/47/79/22/747477922.db2.gz UQRMBKKVHRTPAX-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)Cc1cccnc1 ZINC001125701157 747515580 /nfs/dbraw/zinc/51/55/80/747515580.db2.gz KZCGWGQOZQTOQG-UHFFFAOYSA-N 1 0 318.337 0.172 20 5 DCBDRO Cc1cc(C(=O)NCCNCc2c([N+](=O)[O-])ncn2C)co1 ZINC001126233316 748329151 /nfs/dbraw/zinc/32/91/51/748329151.db2.gz YFYDMXLTIMZGFN-UHFFFAOYSA-N 1 0 307.310 0.749 20 5 DCBDRO COc1ccc(CC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126943103 750155843 /nfs/dbraw/zinc/15/58/43/750155843.db2.gz LEKHAGVVSJLNRQ-ZIAGYGMSSA-N 1 0 307.350 0.609 20 5 DCBDRO CCC1(Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])COC1 ZINC001157533571 762265082 /nfs/dbraw/zinc/26/50/82/762265082.db2.gz WGLLBQDECQAILV-UHFFFAOYSA-N 1 0 308.342 0.385 20 5 DCBDRO COCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2C1 ZINC001054264985 756420259 /nfs/dbraw/zinc/42/02/59/756420259.db2.gz YNMDLQSOICIMEC-HUUCEWRRSA-N 1 0 319.361 0.930 20 5 DCBDRO Cc1conc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001170317595 762608338 /nfs/dbraw/zinc/60/83/38/762608338.db2.gz GQXNFBVHWKHKFY-UHFFFAOYSA-N 1 0 322.325 0.534 20 5 DCBDRO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086083086 759690994 /nfs/dbraw/zinc/69/09/94/759690994.db2.gz NKDXMRYJFQINBN-YXCITZCRSA-N 1 0 321.381 0.378 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2nccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363353 760100647 /nfs/dbraw/zinc/10/06/47/760100647.db2.gz PDBRXSJIILJINT-GWOFURMSSA-N 1 0 310.379 0.793 20 5 DCBDRO NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975806 760537933 /nfs/dbraw/zinc/53/79/33/760537933.db2.gz XHMSSISJLOHNSZ-BZPMIXESSA-N 1 0 307.350 0.824 20 5 DCBDRO CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169002271 760541744 /nfs/dbraw/zinc/54/17/44/760541744.db2.gz JXSJYEMGXBIGNC-QCNOEVLYSA-N 1 0 314.386 0.036 20 5 DCBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)NCC(N)=O ZINC001169001201 760542131 /nfs/dbraw/zinc/54/21/31/760542131.db2.gz DLLZANJKPKRQES-TUAOUCFPSA-N 1 0 314.386 0.038 20 5 DCBDRO O=C(CN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169029666 760549883 /nfs/dbraw/zinc/54/98/83/760549883.db2.gz UYVVZXOABZZCGP-LSDHHAIUSA-N 1 0 324.425 0.672 20 5 DCBDRO CN(C)C(=O)c1nn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169018374 760559591 /nfs/dbraw/zinc/55/95/91/760559591.db2.gz AVVXYEHLNMRPIC-MNOVXSKESA-N 1 0 321.381 0.849 20 5 DCBDRO CCS(=O)(=O)N([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169049666 760563455 /nfs/dbraw/zinc/56/34/55/760563455.db2.gz XQKQUBIKBLMZKE-AAEUAGOBSA-N 1 0 319.427 0.836 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CN1 ZINC001169132412 760590491 /nfs/dbraw/zinc/59/04/91/760590491.db2.gz LSFWKEXSWKFJNT-PWSUYJOCSA-N 1 0 306.322 0.513 20 5 DCBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C1CCCC1 ZINC001123943571 768083936 /nfs/dbraw/zinc/08/39/36/768083936.db2.gz OSKNATYGVSFMOY-LLVKDONJSA-N 1 0 322.369 0.662 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CCNC(=O)C[NH+]1CCCC1 ZINC001100115219 763325495 /nfs/dbraw/zinc/32/54/95/763325495.db2.gz DNFWDOIGIWNXTO-UHFFFAOYSA-N 1 0 321.381 0.946 20 5 DCBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nc(OC)ncc1[N+](=O)[O-] ZINC001170514089 763493528 /nfs/dbraw/zinc/49/35/28/763493528.db2.gz QMUWLCJZMVDJLP-UHFFFAOYSA-N 1 0 323.309 0.616 20 5 DCBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2c1CNC2=O)[C@@H]1C[NH2+]CCO1 ZINC001170569973 763866229 /nfs/dbraw/zinc/86/62/29/763866229.db2.gz BLVRYOHYEUNEJU-UFBFGSQYSA-N 1 0 306.322 0.627 20 5 DCBDRO CCCC(=O)NCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124305749 768211852 /nfs/dbraw/zinc/21/18/52/768211852.db2.gz ONHHSADDUDRXOL-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000697578840 765483263 /nfs/dbraw/zinc/48/32/63/765483263.db2.gz BRRSWABEULECTA-SKDRFNHKSA-N 1 0 302.352 0.651 20 5 DCBDRO CCOC(=O)c1cnc(N[C@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170772075 765670523 /nfs/dbraw/zinc/67/05/23/765670523.db2.gz GUKFOCDKBBJERM-ZJUUUORDSA-N 1 0 310.310 0.159 20 5 DCBDRO O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170775052 765699808 /nfs/dbraw/zinc/69/98/08/765699808.db2.gz XVDZIOMQQWOVTA-HTQZYQBOSA-N 1 0 313.745 0.908 20 5 DCBDRO COC(=O)c1cc(C)nc(N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170777603 765717674 /nfs/dbraw/zinc/71/76/74/765717674.db2.gz IPMSUYJQJOXUIO-WPRPVWTQSA-N 1 0 310.310 0.077 20 5 DCBDRO COC(=O)Cc1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001170781927 765740859 /nfs/dbraw/zinc/74/08/59/765740859.db2.gz LEKRDKPJIUQPNV-ZYHUDNBSSA-N 1 0 309.322 0.303 20 5 DCBDRO CN1CCc2c(N[C@@H]3C[NH2+]C[C@@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784482 765763179 /nfs/dbraw/zinc/76/31/79/765763179.db2.gz UMJQJGPOXMYAGV-QMTHXVAHSA-N 1 0 306.366 0.575 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001116428019 765870407 /nfs/dbraw/zinc/87/04/07/765870407.db2.gz UVKSVGLLODXICK-UHFFFAOYSA-N 1 0 324.385 0.084 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 ZINC001118337707 766294685 /nfs/dbraw/zinc/29/46/85/766294685.db2.gz SDDUPZNHQKOIHI-HOSYDEDBSA-N 1 0 323.353 0.676 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001118492028 766334232 /nfs/dbraw/zinc/33/42/32/766334232.db2.gz DUDQOQRJMHAYJG-SNVBAGLBSA-N 1 0 308.338 0.277 20 5 DCBDRO [NH3+]CC1(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001118862433 766452566 /nfs/dbraw/zinc/45/25/66/766452566.db2.gz ONQNWGJTFSHGRM-UHFFFAOYSA-N 1 0 322.321 0.157 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001120024979 766885277 /nfs/dbraw/zinc/88/52/77/766885277.db2.gz PUWRSNNJRLSWKC-LLVKDONJSA-N 1 0 322.369 0.071 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC[NH2+]CC1 ZINC001122204331 767740381 /nfs/dbraw/zinc/74/03/81/767740381.db2.gz BPOLVLQPDAGXPF-UHFFFAOYSA-N 1 0 308.338 0.238 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001137732869 768389419 /nfs/dbraw/zinc/38/94/19/768389419.db2.gz SIQWITCANWRIJB-OCCSQVGLSA-N 1 0 311.338 0.057 20 5 DCBDRO Cc1nc(NCCNC(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001093652056 768671292 /nfs/dbraw/zinc/67/12/92/768671292.db2.gz BORLWZVADKYCTG-UHFFFAOYSA-N 1 0 307.354 0.922 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2([C@H]3CCCCO3)CC2)c1 ZINC001176431653 770099383 /nfs/dbraw/zinc/09/93/83/770099383.db2.gz IBYVXAJAVXTKRL-CHWSQXEVSA-N 1 0 310.354 0.844 20 5 DCBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001176464391 770108569 /nfs/dbraw/zinc/10/85/69/770108569.db2.gz WVFSJLFUTRSIDF-SNVBAGLBSA-N 1 0 309.322 0.999 20 5 DCBDRO CC(=O)NCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154204270 770108787 /nfs/dbraw/zinc/10/87/87/770108787.db2.gz ODBYPQAEZSMKCJ-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001154751282 770284390 /nfs/dbraw/zinc/28/43/90/770284390.db2.gz AZRZLIWEUZAICK-VIFPVBQESA-N 1 0 315.761 0.587 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001154765749 770286628 /nfs/dbraw/zinc/28/66/28/770286628.db2.gz JHLAFKSYFQRNNS-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO COC(=O)c1ccnc(N[C@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155469236 770512407 /nfs/dbraw/zinc/51/24/07/770512407.db2.gz NJTXREQIFQBBTI-JTQLQIEISA-N 1 0 322.321 0.567 20 5 DCBDRO O=[N+]([O-])c1ccc2ncc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)nc2c1 ZINC001155503150 770527813 /nfs/dbraw/zinc/52/78/13/770527813.db2.gz UWTUUMSCIPYFDI-OASPWFOLSA-N 1 0 301.306 0.937 20 5 DCBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)cnc2c1 ZINC001155503183 770527923 /nfs/dbraw/zinc/52/79/23/770527923.db2.gz WGKDEHFGPRBPNT-OASPWFOLSA-N 1 0 301.306 0.937 20 5 DCBDRO Cc1nc(Cl)nc(NC[C@]23C[NH2+]C[C@H]2COC3)c1[N+](=O)[O-] ZINC001155509388 770529216 /nfs/dbraw/zinc/52/92/16/770529216.db2.gz BTZJVDVWDMMWGC-UFBFGSQYSA-N 1 0 313.745 0.995 20 5 DCBDRO [NH3+]CCN(CCO)c1cc([N+](=O)[O-])cc2c(Cl)ncnc21 ZINC001155953613 770672907 /nfs/dbraw/zinc/67/29/07/770672907.db2.gz MKQOOOBBMQISHX-UHFFFAOYSA-N 1 0 311.729 0.949 20 5 DCBDRO COC(=O)C1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCCC1 ZINC001156885053 770954503 /nfs/dbraw/zinc/95/45/03/770954503.db2.gz REOYORQSVREDEW-UHFFFAOYSA-N 1 0 321.337 0.969 20 5 DCBDRO CCOC(=O)c1ccnc(-n2ccc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001156904604 770961005 /nfs/dbraw/zinc/96/10/05/770961005.db2.gz DFBNGNFSIODQLM-UHFFFAOYSA-N 1 0 305.294 0.853 20 5 DCBDRO Cn1nncc1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157353516 771593210 /nfs/dbraw/zinc/59/32/10/771593210.db2.gz CEMCWHRXRNBEKJ-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO O=C(NCCC[NH2+]CCCC1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767395 771665871 /nfs/dbraw/zinc/66/58/71/771665871.db2.gz LUFHHFIKYYGYBY-ZIAGYGMSSA-N 1 0 313.398 0.954 20 5 DCBDRO COC(=O)c1cnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001157980285 771706201 /nfs/dbraw/zinc/70/62/01/771706201.db2.gz QOVWZPUSKWTPOH-JTQLQIEISA-N 1 0 317.305 0.778 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H](C)[NH2+][C@@H](C)C2)n1 ZINC001158184241 771736354 /nfs/dbraw/zinc/73/63/54/771736354.db2.gz CKCDDZJJDXPECU-YUMQZZPRSA-N 1 0 308.342 0.838 20 5 DCBDRO CC(C)Oc1nc(-n2cncc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001158209152 771741685 /nfs/dbraw/zinc/74/16/85/771741685.db2.gz IJRMYZSEUQGDMN-SNVBAGLBSA-N 1 0 321.337 0.825 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)n1 ZINC001158258773 771747721 /nfs/dbraw/zinc/74/77/21/771747721.db2.gz ITUWMGYIZTTXLJ-LLVKDONJSA-N 1 0 306.370 0.695 20 5 DCBDRO Nc1cc(NCc2ncn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001158359627 771763643 /nfs/dbraw/zinc/76/36/43/771763643.db2.gz SGXRNTIKVRBDHP-UHFFFAOYSA-N 1 0 303.326 0.874 20 5 DCBDRO COC(=O)c1cnc(N2CCC3(C[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001159041918 771851040 /nfs/dbraw/zinc/85/10/40/771851040.db2.gz JCXMOWSKYFSLEV-UHFFFAOYSA-N 1 0 306.322 0.966 20 5 DCBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ncc([N+](=O)[O-])cc2N)O1 ZINC001159243723 771882639 /nfs/dbraw/zinc/88/26/39/771882639.db2.gz SKGUJFSPFHKGIU-NQBHXWOUSA-N 1 0 311.342 0.709 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001159503345 771921094 /nfs/dbraw/zinc/92/10/94/771921094.db2.gz WMKBYSMYJARKQL-GZMMTYOYSA-N 1 0 310.310 0.565 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncc([N+](=O)[O-])cc1Cl ZINC001159861108 771969686 /nfs/dbraw/zinc/96/96/86/771969686.db2.gz NODHJIGGKQYMGE-UHFFFAOYSA-N 1 0 302.718 0.971 20 5 DCBDRO Cc1c(C)c(NCCN(CC[NH3+])N(O)N=O)ncc1[N+](=O)[O-] ZINC001161092478 772167093 /nfs/dbraw/zinc/16/70/93/772167093.db2.gz QRZMSCQFOJPCAZ-UHFFFAOYSA-N 1 0 313.318 0.567 20 5 DCBDRO CC(=O)Nc1ccc(N(CC[NH3+])S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001162129149 772330933 /nfs/dbraw/zinc/33/09/33/772330933.db2.gz UGBIBTXLFRUTIS-UHFFFAOYSA-N 1 0 316.339 0.278 20 5 DCBDRO Cc1ccnc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])n1 ZINC001162193127 772339472 /nfs/dbraw/zinc/33/94/72/772339472.db2.gz HFAGUAJFWZJUIJ-UHFFFAOYSA-N 1 0 301.310 0.782 20 5 DCBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1nccnc1[N+](=O)[O-] ZINC001162724583 772411465 /nfs/dbraw/zinc/41/14/65/772411465.db2.gz FKXLNOJUKSVCPE-JTQLQIEISA-N 1 0 311.342 0.928 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)n1 ZINC001162803390 772420841 /nfs/dbraw/zinc/42/08/41/772420841.db2.gz RFUCILQZJVWDLK-OPRDCNLKSA-N 1 0 304.306 0.962 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163137686 772470172 /nfs/dbraw/zinc/47/01/72/772470172.db2.gz RFKOJGOAWUEOEX-ZXFLCMHBSA-N 1 0 300.702 0.280 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163207174 772482424 /nfs/dbraw/zinc/48/24/24/772482424.db2.gz XCPVEVFXAPVNGF-AMIZOPFISA-N 1 0 308.294 0.319 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163304330 772503004 /nfs/dbraw/zinc/50/30/04/772503004.db2.gz HRVPATKCGJDSGU-YMTOWFKASA-N 1 0 321.337 0.412 20 5 DCBDRO Cn1cc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1=O ZINC001163325752 772506707 /nfs/dbraw/zinc/50/67/07/772506707.db2.gz YGTRBUYDBBMRPX-HZMBPMFUSA-N 1 0 308.338 0.617 20 5 DCBDRO CCOC(=O)c1ccnc(-n2c(C)nnc2C[NH3+])c1[N+](=O)[O-] ZINC001163353957 772513386 /nfs/dbraw/zinc/51/33/86/772513386.db2.gz SRLQYDWBHQBQSO-UHFFFAOYSA-N 1 0 306.282 0.514 20 5 DCBDRO C[NH+](C)C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001163427163 772524243 /nfs/dbraw/zinc/52/42/43/772524243.db2.gz INWSNCILGPRORE-NSHDSACASA-N 1 0 322.365 0.821 20 5 DCBDRO Cc1nn[nH]c1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001163739988 772564668 /nfs/dbraw/zinc/56/46/68/772564668.db2.gz IUDVCILHICKHBE-UHFFFAOYSA-N 1 0 324.366 0.993 20 5 DCBDRO C[C@@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1=O ZINC001164376695 772652521 /nfs/dbraw/zinc/65/25/21/772652521.db2.gz IUKVOQCJXNTWKJ-SECBINFHSA-N 1 0 305.338 0.877 20 5 DCBDRO COc1nc(N2C[C@@H]3C[C@]3(C[NH+](C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001165184939 772703831 /nfs/dbraw/zinc/70/38/31/772703831.db2.gz RBVDXABOVXXDDV-XPTSAGLGSA-N 1 0 323.353 0.790 20 5 DCBDRO O=[N+]([O-])c1cccc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)n1 ZINC001165311884 772722151 /nfs/dbraw/zinc/72/21/51/772722151.db2.gz HZZGDXRPKGCDFB-UHFFFAOYSA-N 1 0 315.337 0.680 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N2C[C@@H]3[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC001165383035 772730501 /nfs/dbraw/zinc/73/05/01/772730501.db2.gz NDLRHUNXNQCRNY-FPFOFBBKSA-N 1 0 313.701 0.218 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001165440259 772737803 /nfs/dbraw/zinc/73/78/03/772737803.db2.gz YQCCWOLEFLYUSH-LBPRGKRZSA-N 1 0 317.305 0.489 20 5 DCBDRO COc1nc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)ncc1[N+](=O)[O-] ZINC001166702027 772844229 /nfs/dbraw/zinc/84/42/29/772844229.db2.gz XWVBXQWQAUHHIQ-MRVPVSSYSA-N 1 0 317.309 0.483 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001166961428 772889899 /nfs/dbraw/zinc/88/98/99/772889899.db2.gz JNWJXLIAWDEMPH-APPZFPTMSA-N 1 0 300.702 0.722 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(C)C[C@@H]2CC[NH2+]C2)n1 ZINC001166960627 772890019 /nfs/dbraw/zinc/89/00/19/772890019.db2.gz PYEQJPZIXJMGNH-SNVBAGLBSA-N 1 0 308.342 0.697 20 5 DCBDRO CCN1CC[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213512325 773855391 /nfs/dbraw/zinc/85/53/91/773855391.db2.gz LHHBQCCNIQUMPZ-VIFPVBQESA-N 1 0 300.340 0.362 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)NC(=O)CC2 ZINC001226865130 775886983 /nfs/dbraw/zinc/88/69/83/775886983.db2.gz WZRAOZBPHCFHAU-GFCCVEGCSA-O 1 0 307.370 0.934 20 5 DCBDRO COc1cnnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1Cl ZINC001227259454 775952086 /nfs/dbraw/zinc/95/20/86/775952086.db2.gz HUAPMLCBDWOCEN-MRVPVSSYSA-N 1 0 304.754 0.501 20 5 DCBDRO CN(CCN1CC[NH+](CC2CC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317818523 945195051 /nfs/dbraw/zinc/19/50/51/945195051.db2.gz CWBKQSOGGZDYKF-ZIAGYGMSSA-N 1 0 310.398 0.138 20 5 DCBDRO Cc1nn(C)cc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268541638 940225753 /nfs/dbraw/zinc/22/57/53/940225753.db2.gz LMOSNUGZLMXPBS-CDJBXZAQSA-N 1 0 307.354 0.156 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2C[C@@H]([NH3+])[C@H](O)C2)c1F ZINC001246562212 945432783 /nfs/dbraw/zinc/43/27/83/945432783.db2.gz YZEOQPYJDSXTJE-MKPLZMMCSA-N 1 0 313.329 0.677 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]CC[C@@H]2O)n1 ZINC001247757321 945574883 /nfs/dbraw/zinc/57/48/83/945574883.db2.gz OCGNHGVZXDZWQX-CBAPKCEASA-N 1 0 309.257 0.617 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001247838443 945576617 /nfs/dbraw/zinc/57/66/17/945576617.db2.gz WMIYUCPGKBMXPX-QMMMGPOBSA-N 1 0 320.284 0.455 20 5 DCBDRO NC(=O)CC[C@H]([NH3+])Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248647442 945604710 /nfs/dbraw/zinc/60/47/10/945604710.db2.gz JCDPLGRAPVSLAL-ZETCQYMHSA-N 1 0 324.272 0.314 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCOCC2)n1 ZINC001320399853 945860547 /nfs/dbraw/zinc/86/05/47/945860547.db2.gz YKDRSTMKFDBUQF-UHFFFAOYSA-N 1 0 311.342 0.171 20 5 DCBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C(C)(F)F ZINC001320662706 945966583 /nfs/dbraw/zinc/96/65/83/945966583.db2.gz PDTREAGJOSCCOX-UHFFFAOYSA-N 1 0 319.312 0.922 20 5 DCBDRO [NH3+][C@H](CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001325735381 947903535 /nfs/dbraw/zinc/90/35/35/947903535.db2.gz RQBGBOVVARZYGR-CYBMUJFWSA-N 1 0 318.333 0.291 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001326367985 948139681 /nfs/dbraw/zinc/13/96/81/948139681.db2.gz GVPQHXNEVHVATO-NSHDSACASA-N 1 0 322.365 0.829 20 5 DCBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001327915856 948663186 /nfs/dbraw/zinc/66/31/86/948663186.db2.gz DVIALBYIZKDXFW-QWRGUYRKSA-N 1 0 308.338 0.308 20 5 DCBDRO CC(C)OCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001279363487 950552655 /nfs/dbraw/zinc/55/26/55/950552655.db2.gz UGLBAIHZZBTPFV-XJFOESAGSA-N 1 0 311.382 0.467 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[NH2+]CCC23CCC3)c1[N+](=O)[O-] ZINC001330942924 950778148 /nfs/dbraw/zinc/77/81/48/950778148.db2.gz XVCVXMJODGDXGG-UHFFFAOYSA-N 1 0 307.354 0.995 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCC2CC2)CC1 ZINC001274515628 951675930 /nfs/dbraw/zinc/67/59/30/951675930.db2.gz JTYUMYVEEZTTNI-CHWSQXEVSA-N 1 0 311.382 0.395 20 5 DCBDRO CN1CC[NH2+]C[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001339791477 953119830 /nfs/dbraw/zinc/11/98/30/953119830.db2.gz YAFGPWAXNNSJEZ-ZDUSSCGKSA-N 1 0 307.354 0.027 20 5 DCBDRO COC(=O)CC(C)(C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001340962678 953204531 /nfs/dbraw/zinc/20/45/31/953204531.db2.gz OXUDSZRYPYUIIJ-NSHDSACASA-N 1 0 314.342 0.426 20 5 DCBDRO O=C([C@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001341020144 953207635 /nfs/dbraw/zinc/20/76/35/953207635.db2.gz NSUGFAQFEQULNL-DYEKYZERSA-N 1 0 319.365 0.810 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@]12CC[NH2+]C2 ZINC001341499155 953234224 /nfs/dbraw/zinc/23/42/24/953234224.db2.gz GZNOLOBABRFLKK-CQSZACIVSA-N 1 0 306.322 0.111 20 5 DCBDRO CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC001342175971 953274658 /nfs/dbraw/zinc/27/46/58/953274658.db2.gz XIQBJNGQBGWVJZ-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO CCc1ccc(C(=O)N2CCNCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001342720817 953304726 /nfs/dbraw/zinc/30/47/26/953304726.db2.gz QPHRSAKDYUZZCC-UHFFFAOYSA-N 1 0 306.366 0.792 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001343057170 953320120 /nfs/dbraw/zinc/32/01/20/953320120.db2.gz WFRIHLSWOZBYLM-GFCCVEGCSA-N 1 0 309.322 0.420 20 5 DCBDRO CC[NH+](CC)CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001344784430 953530321 /nfs/dbraw/zinc/53/03/21/953530321.db2.gz NBSHOVAOZQRYCV-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001348607135 954386629 /nfs/dbraw/zinc/38/66/29/954386629.db2.gz ZONZWAAPPNCFQX-LLVKDONJSA-N 1 0 322.365 0.667 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC001348965557 954550371 /nfs/dbraw/zinc/55/03/71/954550371.db2.gz ORQWHIIHXBVEFZ-OAHLLOKOSA-N 1 0 323.349 0.499 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC001350331149 955058106 /nfs/dbraw/zinc/05/81/06/955058106.db2.gz FGZVUIBYBWNEQS-SNVBAGLBSA-N 1 0 308.338 0.579 20 5 DCBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001463747237 1013161647 /nfs/dbraw/zinc/16/16/47/1013161647.db2.gz MOOYORVJTGGWEV-DTWKUNHWSA-N 1 0 317.371 0.041 20 5 DCBDRO Nc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001298012691 958385259 /nfs/dbraw/zinc/38/52/59/958385259.db2.gz AHFURJSZLZPKHX-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001306859898 960133322 /nfs/dbraw/zinc/13/33/22/960133322.db2.gz USORDNPAZIBZQB-LLVKDONJSA-N 1 0 307.354 0.877 20 5 DCBDRO Cn1nnc2c1CC[C@@H]([NH2+]C1CC(n3cc([N+](=O)[O-])cn3)C1)C2 ZINC001308841563 960182927 /nfs/dbraw/zinc/18/29/27/960182927.db2.gz SOCHIYRMQYMEDC-KPPDAEKUSA-N 1 0 317.353 0.770 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001471636394 1016612832 /nfs/dbraw/zinc/61/28/32/1016612832.db2.gz PRWGUXUPJYDJJG-LLVKDONJSA-N 1 0 323.353 0.691 20 5 DCBDRO C[C@@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC001477127166 1017256425 /nfs/dbraw/zinc/25/64/25/1017256425.db2.gz GAFYOUIFLKMLKY-KCJUWKMLSA-N 1 0 321.337 0.908 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001444544605 1011055884 /nfs/dbraw/zinc/05/58/84/1011055884.db2.gz CLITVRMHCQXRES-ONGXEEELSA-N 1 0 307.354 0.984 20 5 DCBDRO CCO[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+](C)C ZINC001537722263 1012405006 /nfs/dbraw/zinc/40/50/06/1012405006.db2.gz URZJUXGPMBWZLR-GFCCVEGCSA-N 1 0 313.358 0.264 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001522357777 1017486033 /nfs/dbraw/zinc/48/60/33/1017486033.db2.gz HUHPEFQCJRZYOB-NEPJUHHUSA-N 1 0 307.354 0.700 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCOCC(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480203611 1018310079 /nfs/dbraw/zinc/31/00/79/1018310079.db2.gz QUUNGBUOCHGZIO-UTINFBMNSA-N 1 0 307.297 0.170 20 5 DCBDRO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC(N)=O ZINC001498530621 1019197059 /nfs/dbraw/zinc/19/70/59/1019197059.db2.gz WWHQVMGUOBBMPI-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000157352824 529799688 /nfs/dbraw/zinc/79/96/88/529799688.db2.gz ZKAZSZPBPVWQPI-GHMZBOCLSA-N 1 0 308.342 0.129 20 5 DCBDRO CN(C)S(=O)(=O)c1ccc(N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093683 190682558 /nfs/dbraw/zinc/68/25/58/190682558.db2.gz HIZSTOBVSMTXHQ-VIFPVBQESA-N 1 0 314.367 0.619 20 5 DCBDRO CNS(=O)(=O)c1ccc(N(C)CC[NH2+]C)c([N+](=O)[O-])c1 ZINC000070304495 190879479 /nfs/dbraw/zinc/87/94/79/190879479.db2.gz MOWARICEKKTFLN-UHFFFAOYSA-N 1 0 302.356 0.159 20 5 DCBDRO COCCN(CCO)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000156340001 291224683 /nfs/dbraw/zinc/22/46/83/291224683.db2.gz ZBZORDJREHLBQR-UHFFFAOYSA-N 1 0 311.338 0.782 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000281213339 216159160 /nfs/dbraw/zinc/15/91/60/216159160.db2.gz UMVYAGWXJHPPNT-UHFFFAOYSA-N 1 0 306.366 0.501 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCn2ccnc2)cc1 ZINC000566106341 291270125 /nfs/dbraw/zinc/27/01/25/291270125.db2.gz MVMKKUUIJXDNNJ-UHFFFAOYSA-N 1 0 324.362 0.855 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2ccncn2)c1 ZINC000566119137 291271900 /nfs/dbraw/zinc/27/19/00/291271900.db2.gz RNHVPLVFNQFASV-CYBMUJFWSA-N 1 0 304.306 0.914 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490238 291307946 /nfs/dbraw/zinc/30/79/46/291307946.db2.gz FHHMTUQITGGQHX-XEKFUKFUSA-N 1 0 316.361 0.852 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CCN2C1=O ZINC000566630129 291316024 /nfs/dbraw/zinc/31/60/24/291316024.db2.gz OOJIAYFSHLMCLA-KOLCDFICSA-N 1 0 317.349 0.311 20 5 DCBDRO COc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000006671031 181368622 /nfs/dbraw/zinc/36/86/22/181368622.db2.gz MUKUEHQWAVZNSR-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO COC(=O)c1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000423590620 240221532 /nfs/dbraw/zinc/22/15/32/240221532.db2.gz DYVMJKGWNAVLJJ-TXEJJXNPSA-N 1 0 319.317 0.673 20 5 DCBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000567180238 291341735 /nfs/dbraw/zinc/34/17/35/291341735.db2.gz CZOVDIYMHZQWMI-NQBHXWOUSA-N 1 0 304.350 0.900 20 5 DCBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000567262447 291345998 /nfs/dbraw/zinc/34/59/98/291345998.db2.gz OZVKBRKPCRMQAI-IAQYHMDHSA-N 1 0 323.349 0.593 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000479791993 241075473 /nfs/dbraw/zinc/07/54/73/241075473.db2.gz HHZPIUWKSIMRPW-ZKCHVHJHSA-N 1 0 301.324 0.371 20 5 DCBDRO CC(C)[C@H](O)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000568089478 291402495 /nfs/dbraw/zinc/40/24/95/291402495.db2.gz YXDLJLXIEFTEFH-OLZOCXBDSA-N 1 0 312.370 0.539 20 5 DCBDRO Cc1cccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000568872946 291450480 /nfs/dbraw/zinc/45/04/80/291450480.db2.gz DZCTUJAAGCNQDO-AWEZNQCLSA-N 1 0 305.338 0.688 20 5 DCBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569223485 291467701 /nfs/dbraw/zinc/46/77/01/291467701.db2.gz YMWWREXOKYINHA-CHWSQXEVSA-N 1 0 314.386 0.785 20 5 DCBDRO C[NH+](C)[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1O ZINC000569308885 291472275 /nfs/dbraw/zinc/47/22/75/291472275.db2.gz SIABVWLXSNCJEA-KBPBESRZSA-N 1 0 323.349 0.568 20 5 DCBDRO Cc1c(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264762341 204137531 /nfs/dbraw/zinc/13/75/31/204137531.db2.gz UKLRENOWKDNYAQ-LBPRGKRZSA-N 1 0 306.366 0.879 20 5 DCBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282482092 217028192 /nfs/dbraw/zinc/02/81/92/217028192.db2.gz VLGPPHXJFCBPJY-TZMCWYRMSA-N 1 0 323.349 0.545 20 5 DCBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000288509243 220188312 /nfs/dbraw/zinc/18/83/12/220188312.db2.gz SPRSBUPQIFHYCA-NEPJUHHUSA-N 1 0 307.354 0.877 20 5 DCBDRO CCCc1n[nH]c(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000574398934 291692254 /nfs/dbraw/zinc/69/22/54/291692254.db2.gz PJXIIICSMUIIKI-VIFPVBQESA-N 1 0 311.342 0.379 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000339416235 253081304 /nfs/dbraw/zinc/08/13/04/253081304.db2.gz ZCFSKKZYZNQWMO-GFCCVEGCSA-N 1 0 321.341 0.212 20 5 DCBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CC[NH+](C)CC1 ZINC000339334015 253065630 /nfs/dbraw/zinc/06/56/30/253065630.db2.gz DCQFQVXRLDSHIF-NSHDSACASA-N 1 0 309.370 0.299 20 5 DCBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154021 254016433 /nfs/dbraw/zinc/01/64/33/254016433.db2.gz ILBAIENOAIZIOQ-XQQFMLRXSA-N 1 0 321.381 0.980 20 5 DCBDRO C[C@H](CO)[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000346641134 254077513 /nfs/dbraw/zinc/07/75/13/254077513.db2.gz LCHYRTICGYUUOT-CYBMUJFWSA-N 1 0 324.381 0.145 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000347331675 254148892 /nfs/dbraw/zinc/14/88/92/254148892.db2.gz FUZMAWASOJNLRW-WDEREUQCSA-N 1 0 324.385 0.777 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)cn1 ZINC000347427734 254156071 /nfs/dbraw/zinc/15/60/71/254156071.db2.gz XGIZWMWDFPWDTC-UHFFFAOYSA-N 1 0 322.365 0.653 20 5 DCBDRO C[C@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000351536013 254344324 /nfs/dbraw/zinc/34/43/24/254344324.db2.gz GDALWCGADIGCNA-GXFFZTMASA-N 1 0 320.349 0.640 20 5 DCBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000352111608 254399651 /nfs/dbraw/zinc/39/96/51/254399651.db2.gz MJLCGHQWWHJQCN-UHFFFAOYSA-N 1 0 324.385 0.464 20 5 DCBDRO CC[NH+](CC)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000023380605 395692412 /nfs/dbraw/zinc/69/24/12/395692412.db2.gz NKYHBORPYQDLMH-UHFFFAOYSA-N 1 0 316.383 0.996 20 5 DCBDRO O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)N1CC[NH2+]CC1 ZINC000031946538 395709114 /nfs/dbraw/zinc/70/91/14/395709114.db2.gz NLUSCMSLGBOURR-GFCCVEGCSA-N 1 0 319.365 0.638 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000032434191 395711174 /nfs/dbraw/zinc/71/11/74/395711174.db2.gz MAAZMNRFFWHDIY-VIFPVBQESA-N 1 0 317.367 0.832 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108298499 395787959 /nfs/dbraw/zinc/78/79/59/395787959.db2.gz XPGYNBVZNYROIC-GFCCVEGCSA-N 1 0 307.354 0.700 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000050241878 395837994 /nfs/dbraw/zinc/83/79/94/395837994.db2.gz OQCAAWLUFJQZIF-QMMMGPOBSA-N 1 0 301.324 0.325 20 5 DCBDRO NC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000270677966 395796228 /nfs/dbraw/zinc/79/62/28/395796228.db2.gz MHTNRJHRYIFIQV-PWSUYJOCSA-N 1 0 324.337 0.077 20 5 DCBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000124002353 395899280 /nfs/dbraw/zinc/89/92/80/395899280.db2.gz SZWQHXVHMPUSJQ-RISCZKNCSA-N 1 0 322.365 0.842 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCOC2)cc1 ZINC000273504764 395925866 /nfs/dbraw/zinc/92/58/66/395925866.db2.gz ZHGBTJCFRXKKKY-JTQLQIEISA-N 1 0 300.336 0.747 20 5 DCBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000132370508 395926584 /nfs/dbraw/zinc/92/65/84/395926584.db2.gz VQCMFNHWGLIVJB-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000138888873 395953011 /nfs/dbraw/zinc/95/30/11/395953011.db2.gz FIYSFFYOGBAGDB-VXGBXAGGSA-N 1 0 324.385 0.671 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000274731577 395971512 /nfs/dbraw/zinc/97/15/12/395971512.db2.gz COBPFDCHCDEUPX-SNVBAGLBSA-N 1 0 313.285 0.299 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000247523480 395976123 /nfs/dbraw/zinc/97/61/23/395976123.db2.gz NQMXFXIBJLVZKU-OCCSQVGLSA-N 1 0 309.370 0.322 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000151753475 395992626 /nfs/dbraw/zinc/99/26/26/395992626.db2.gz LSWWNPRIVNCPEO-UHFFFAOYSA-N 1 0 313.329 0.971 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261599569 396048107 /nfs/dbraw/zinc/04/81/07/396048107.db2.gz BFKDXMUAJVJGIX-MFKMUULPSA-N 1 0 311.363 0.967 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261666637 396054109 /nfs/dbraw/zinc/05/41/09/396054109.db2.gz LAAZUQMYWJAJSI-GHMZBOCLSA-N 1 0 311.363 0.825 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[NH2+]CC1 ZINC000261675386 396055410 /nfs/dbraw/zinc/05/54/10/396055410.db2.gz LWBDARHKNFNMOT-SNVBAGLBSA-N 1 0 308.338 0.836 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C(N)=O)CC1 ZINC000152390665 396008236 /nfs/dbraw/zinc/00/82/36/396008236.db2.gz VICQLMOGYGQSDR-UHFFFAOYSA-N 1 0 306.322 0.839 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178726793 396205373 /nfs/dbraw/zinc/20/53/73/396205373.db2.gz KWZGLRPXFRZNQX-CMPLNLGQSA-N 1 0 320.349 0.581 20 5 DCBDRO CC[NH+]1CCN(C[C@@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076921894 396209773 /nfs/dbraw/zinc/20/97/73/396209773.db2.gz FLIMCFGOQGRVGX-NSHDSACASA-N 1 0 323.401 0.653 20 5 DCBDRO C[N@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000264097912 396254837 /nfs/dbraw/zinc/25/48/37/396254837.db2.gz AMSXPCJPZXBKGI-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000183933330 396278332 /nfs/dbraw/zinc/27/83/32/396278332.db2.gz HBXPFMZFIBWFRU-UHFFFAOYSA-N 1 0 310.354 0.437 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264474833 396283704 /nfs/dbraw/zinc/28/37/04/396283704.db2.gz VEERABLLFFAJAJ-ZDUSSCGKSA-N 1 0 320.393 0.889 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264478490 396283936 /nfs/dbraw/zinc/28/39/36/396283936.db2.gz HLIMTWVDVUHJQP-GFCCVEGCSA-N 1 0 307.354 0.878 20 5 DCBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCN1C(=O)CNC1=O ZINC000282388048 396286453 /nfs/dbraw/zinc/28/64/53/396286453.db2.gz GNVFYSPUYVSKKA-UHFFFAOYSA-N 1 0 306.322 0.621 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290833 396295990 /nfs/dbraw/zinc/29/59/90/396295990.db2.gz WPHOBSLJNXSEAU-GFCCVEGCSA-N 1 0 322.369 0.567 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000264665535 396300503 /nfs/dbraw/zinc/30/05/03/396300503.db2.gz SEEIHRHUFYLDDT-ZDUSSCGKSA-N 1 0 307.354 0.962 20 5 DCBDRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000186217908 396345173 /nfs/dbraw/zinc/34/51/73/396345173.db2.gz FMSVWTJBOABZRT-UHFFFAOYSA-N 1 0 320.349 0.728 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000286022416 396370462 /nfs/dbraw/zinc/37/04/62/396370462.db2.gz JVJDVSCARPVRIN-LBPRGKRZSA-N 1 0 319.365 0.297 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000269269224 396402567 /nfs/dbraw/zinc/40/25/67/396402567.db2.gz LTGAPXBKXQDVLV-GXFFZTMASA-N 1 0 322.365 0.813 20 5 DCBDRO O=C([C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287579185 396409294 /nfs/dbraw/zinc/40/92/94/396409294.db2.gz XUPNZANHRSDSAK-GFCCVEGCSA-N 1 0 307.354 0.736 20 5 DCBDRO CNC(=O)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000269535299 396422437 /nfs/dbraw/zinc/42/24/37/396422437.db2.gz UAHZVSMLFVTZPA-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000291510770 396495133 /nfs/dbraw/zinc/49/51/33/396495133.db2.gz XHFQQCRYTQTTLT-UHFFFAOYSA-N 1 0 302.356 0.080 20 5 DCBDRO COc1cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F ZINC000514870609 396498408 /nfs/dbraw/zinc/49/84/08/396498408.db2.gz MFZVMXUKIYGKSB-STQMWFEESA-N 1 0 313.329 0.849 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270360980 396464886 /nfs/dbraw/zinc/46/48/86/396464886.db2.gz BQMVNSUNDLXNMX-HNNXBMFYSA-N 1 0 324.381 0.749 20 5 DCBDRO CC(C)([NH2+]CCN1C(=O)CNC1=O)c1ccccc1[N+](=O)[O-] ZINC000292214228 396537962 /nfs/dbraw/zinc/53/79/62/396537962.db2.gz UJMLRNWKZUTGFA-UHFFFAOYSA-N 1 0 306.322 0.971 20 5 DCBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000595121502 396552658 /nfs/dbraw/zinc/55/26/58/396552658.db2.gz KTKKRZFPOIMFGQ-QMMMGPOBSA-N 1 0 303.340 0.490 20 5 DCBDRO C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000595120311 396552685 /nfs/dbraw/zinc/55/26/85/396552685.db2.gz KCDBNZJSBXRTQU-ZJUUUORDSA-N 1 0 314.367 0.738 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000373395076 396588386 /nfs/dbraw/zinc/58/83/86/396588386.db2.gz SWUFBSOVGMPVDD-JOYOIKCWSA-N 1 0 305.338 0.738 20 5 DCBDRO CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000595353757 396594169 /nfs/dbraw/zinc/59/41/69/396594169.db2.gz KDVDJLHIPRJWAY-JTQLQIEISA-N 1 0 314.367 0.752 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)[C@H]2C1 ZINC000293850645 396637759 /nfs/dbraw/zinc/63/77/59/396637759.db2.gz ITEUSVXGWOQETC-NWDGAFQWSA-N 1 0 308.338 0.858 20 5 DCBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)CC(C)(C)[NH3+] ZINC000595901676 396679365 /nfs/dbraw/zinc/67/93/65/396679365.db2.gz HYHMLNKPNIWLQB-UHFFFAOYSA-N 1 0 324.337 0.931 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CNC1(CO)CC[NH2+]CC1 ZINC000595902259 396679484 /nfs/dbraw/zinc/67/94/84/396679484.db2.gz PVYFUHOMOCTZEO-UHFFFAOYSA-N 1 0 322.365 0.546 20 5 DCBDRO [NH3+]CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)CO ZINC000595902261 396679602 /nfs/dbraw/zinc/67/96/02/396679602.db2.gz PXOIMYIUHCMLHG-NSHDSACASA-N 1 0 303.746 0.362 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595922277 396682384 /nfs/dbraw/zinc/68/23/84/396682384.db2.gz DASRLPBYJFJDJG-OLZOCXBDSA-N 1 0 308.338 0.487 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595935620 396686967 /nfs/dbraw/zinc/68/69/67/396686967.db2.gz GVHVOACGEOQZEN-QWHCGFSZSA-N 1 0 309.322 0.454 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595983523 396702793 /nfs/dbraw/zinc/70/27/93/396702793.db2.gz PWCMOQPUFAFEBW-SNVBAGLBSA-N 1 0 308.338 0.439 20 5 DCBDRO Nc1ccc(N2CCC[C@H](n3cc(C[NH3+])nn3)C2)nc1[N+](=O)[O-] ZINC000596014403 396707977 /nfs/dbraw/zinc/70/79/77/396707977.db2.gz PBVQLISUQLDJSE-JTQLQIEISA-N 1 0 318.341 0.464 20 5 DCBDRO Nc1ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc1[N+](=O)[O-] ZINC000596112291 396718514 /nfs/dbraw/zinc/71/85/14/396718514.db2.gz MHODTOCCZFDCKW-VXGBXAGGSA-N 1 0 307.354 0.607 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596120040 396720199 /nfs/dbraw/zinc/72/01/99/396720199.db2.gz CRKZTEYETVWGOU-LLVKDONJSA-N 1 0 321.381 0.742 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000314371500 396781617 /nfs/dbraw/zinc/78/16/17/396781617.db2.gz PCFASSRWXXPSDD-UHFFFAOYSA-N 1 0 306.322 0.664 20 5 DCBDRO Cn1c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000610913267 396781864 /nfs/dbraw/zinc/78/18/64/396781864.db2.gz MTXHUCMWRZBTSB-GFCCVEGCSA-N 1 0 322.365 0.916 20 5 DCBDRO Cc1nn(C)c(N2CCC(CO)([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596263556 396747292 /nfs/dbraw/zinc/74/72/92/396747292.db2.gz HJZAEMJMPWNQFX-UHFFFAOYSA-N 1 0 323.397 0.968 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000590370986 396764015 /nfs/dbraw/zinc/76/40/15/396764015.db2.gz AYLXWLFVGBSORT-NSHDSACASA-N 1 0 323.349 0.790 20 5 DCBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000564722773 396860008 /nfs/dbraw/zinc/86/00/08/396860008.db2.gz PZRYUOBCNRINKM-GFCCVEGCSA-N 1 0 318.337 0.565 20 5 DCBDRO [NH3+]CCOCC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000317442091 396803319 /nfs/dbraw/zinc/80/33/19/396803319.db2.gz MPCBGDZDHHSDAZ-UHFFFAOYSA-N 1 0 308.338 0.219 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000320254962 396812624 /nfs/dbraw/zinc/81/26/24/396812624.db2.gz XEJNXXKYCUSOAX-AWEZNQCLSA-N 1 0 306.322 0.434 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000591361337 396910564 /nfs/dbraw/zinc/91/05/64/396910564.db2.gz VSMDQYSXCQBBIL-LLVKDONJSA-N 1 0 307.354 0.774 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2COCCN2)n1 ZINC000600708748 396924944 /nfs/dbraw/zinc/92/49/44/396924944.db2.gz FTPBILCTLULHIW-FRRDWIJNSA-N 1 0 309.370 0.853 20 5 DCBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCOCC[NH3+] ZINC000600734035 396933110 /nfs/dbraw/zinc/93/31/10/396933110.db2.gz NHEUKDHWWNXJGM-NSHDSACASA-N 1 0 310.354 0.829 20 5 DCBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000611921590 396947812 /nfs/dbraw/zinc/94/78/12/396947812.db2.gz CFAUEHVDLLXIAS-YUMQZZPRSA-N 1 0 317.392 0.715 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377513307 397090514 /nfs/dbraw/zinc/09/05/14/397090514.db2.gz SQIKYGKILWRKIV-WCQYABFASA-N 1 0 323.353 0.161 20 5 DCBDRO CC[N@H+](C)C[C@H](O)CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000572374925 397052746 /nfs/dbraw/zinc/05/27/46/397052746.db2.gz FAWADCREIOUCJN-ZDUSSCGKSA-N 1 0 323.397 0.424 20 5 DCBDRO CCOc1ccc(NC(=O)CN2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC000601327020 397057277 /nfs/dbraw/zinc/05/72/77/397057277.db2.gz JXFYRTSGBJSSRL-QWRGUYRKSA-N 1 0 320.349 0.978 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327818 397059055 /nfs/dbraw/zinc/05/90/55/397059055.db2.gz ZICLIQKVFLOBEU-ONGXEEELSA-N 1 0 306.322 0.588 20 5 DCBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000597679235 397059628 /nfs/dbraw/zinc/05/96/28/397059628.db2.gz QCIUIHPLTMPWKI-SNVBAGLBSA-N 1 0 323.353 0.643 20 5 DCBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000597920393 397131134 /nfs/dbraw/zinc/13/11/34/397131134.db2.gz AZIZDAZPJRMCMQ-LLVKDONJSA-N 1 0 322.365 0.746 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CC[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000592294571 397144499 /nfs/dbraw/zinc/14/44/99/397144499.db2.gz CSSWIZISQDHWGH-VIFPVBQESA-N 1 0 307.306 0.802 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000592428495 397174181 /nfs/dbraw/zinc/17/41/81/397174181.db2.gz SZQFWGWPSCILGN-DTWKUNHWSA-N 1 0 324.337 0.784 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000592442453 397180885 /nfs/dbraw/zinc/18/08/85/397180885.db2.gz PRQSEPNARLLZDO-WDEREUQCSA-N 1 0 322.365 0.496 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000619879715 397203181 /nfs/dbraw/zinc/20/31/81/397203181.db2.gz VOLZJEUTBMLYIT-NSHDSACASA-N 1 0 323.353 0.645 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598571143 397249753 /nfs/dbraw/zinc/24/97/53/397249753.db2.gz GWGSNZJHKXYLKO-LBPRGKRZSA-N 1 0 309.370 0.946 20 5 DCBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913570 397306844 /nfs/dbraw/zinc/30/68/44/397306844.db2.gz MNNNXKDPHJBCRL-VXGBXAGGSA-N 1 0 306.322 0.919 20 5 DCBDRO COC(=O)c1ccnc(N2CCC[N@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000598594466 397254253 /nfs/dbraw/zinc/25/42/53/397254253.db2.gz KKIQXSYHMSVCPQ-UHFFFAOYSA-N 1 0 324.337 0.281 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593448228 397369301 /nfs/dbraw/zinc/36/93/01/397369301.db2.gz KVDTULRGFYNOCS-UHFFFAOYSA-N 1 0 313.329 0.971 20 5 DCBDRO C[C@@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577289605 397320687 /nfs/dbraw/zinc/32/06/87/397320687.db2.gz APSBHNRQMVSCRN-BDAKNGLRSA-N 1 0 300.340 0.490 20 5 DCBDRO C[NH2+][C@@H](C)C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000577294379 397320766 /nfs/dbraw/zinc/32/07/66/397320766.db2.gz PQJBLORIRQUQRD-VIFPVBQESA-N 1 0 311.338 0.879 20 5 DCBDRO CO[C@@H]1CS(=O)(=O)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602706651 397467630 /nfs/dbraw/zinc/46/76/30/397467630.db2.gz GUZZHMBDANTLIG-CHWSQXEVSA-N 1 0 314.363 0.539 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000602798774 397488562 /nfs/dbraw/zinc/48/85/62/397488562.db2.gz HYPOGNBUFIYDHI-CYBMUJFWSA-N 1 0 309.370 0.506 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000602837487 397498702 /nfs/dbraw/zinc/49/87/02/397498702.db2.gz NXJFQLDXJKDDJK-LBPRGKRZSA-N 1 0 324.385 0.835 20 5 DCBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599940438 397547525 /nfs/dbraw/zinc/54/75/25/397547525.db2.gz QEGNBAPMCPTZGK-CYBMUJFWSA-N 1 0 322.365 0.767 20 5 DCBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000579121449 397526114 /nfs/dbraw/zinc/52/61/14/397526114.db2.gz FRQLENAXSPBKCY-ZWNOBZJWSA-N 1 0 323.353 0.676 20 5 DCBDRO C[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000599909754 397538877 /nfs/dbraw/zinc/53/88/77/397538877.db2.gz ZEJOVLRYBMJOOX-PWSUYJOCSA-N 1 0 308.338 0.943 20 5 DCBDRO C[NH+]1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610249550 397808193 /nfs/dbraw/zinc/80/81/93/397808193.db2.gz QHIWDVBDKUBGTL-UHFFFAOYSA-N 1 0 300.340 0.362 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](C)CCN1C ZINC000609517073 397778739 /nfs/dbraw/zinc/77/87/39/397778739.db2.gz JJQFYRKTESVOMF-GFCCVEGCSA-N 1 0 321.381 0.612 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610263290 397810995 /nfs/dbraw/zinc/81/09/95/397810995.db2.gz RCUMSBRSRICVHJ-JTQLQIEISA-N 1 0 314.367 0.610 20 5 DCBDRO Cc1n[nH]c(C(=O)NCCCN2CCC[N@@H+](C)CC2)c1[N+](=O)[O-] ZINC000609624056 397787254 /nfs/dbraw/zinc/78/72/54/397787254.db2.gz RWMOIFOJFPCKJW-UHFFFAOYSA-N 1 0 324.385 0.384 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000610453336 397822628 /nfs/dbraw/zinc/82/26/28/397822628.db2.gz NRBHQMHEHSTKSX-AWEZNQCLSA-N 1 0 322.413 0.503 20 5 DCBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(CCO)CC2)nc1 ZINC000114450777 158152849 /nfs/dbraw/zinc/15/28/49/158152849.db2.gz GMBUTZKASMMQOZ-UHFFFAOYSA-N 1 0 323.397 0.792 20 5 DCBDRO C[C@@H]1CCC[C@](CNC(=O)Cn2cnc([N+](=O)[O-])n2)([NH+](C)C)C1 ZINC000128476536 158281602 /nfs/dbraw/zinc/28/16/02/158281602.db2.gz WPROEYKDDGLQBT-RISCZKNCSA-N 1 0 324.385 0.813 20 5 DCBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000133038246 158315108 /nfs/dbraw/zinc/31/51/08/158315108.db2.gz QOXBCSFTYVWPDE-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO CNC(=O)c1ccc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000133005798 158315176 /nfs/dbraw/zinc/31/51/76/158315176.db2.gz TUUVOABUMIRJDL-CQSZACIVSA-N 1 0 310.354 0.679 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1CCC[NH2+]C1 ZINC000261891547 158750103 /nfs/dbraw/zinc/75/01/03/158750103.db2.gz TZLKYPLVTAONPO-NSHDSACASA-N 1 0 321.333 0.777 20 5 DCBDRO NC(=O)c1ccc(C[NH+]2CCC(OCCO)CC2)c([N+](=O)[O-])c1 ZINC000322591252 159012727 /nfs/dbraw/zinc/01/27/27/159012727.db2.gz UXMLWRYOTBDOKV-UHFFFAOYSA-N 1 0 323.349 0.667 20 5 DCBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000330535619 159188083 /nfs/dbraw/zinc/18/80/83/159188083.db2.gz RXFXUZCHCOKJHA-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCNC1=O ZINC000340223283 159221129 /nfs/dbraw/zinc/22/11/29/159221129.db2.gz QAEIWGRPMWOBHI-GFCCVEGCSA-N 1 0 306.322 0.744 20 5 DCBDRO COc1ccc(NC(=O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359267807 159258570 /nfs/dbraw/zinc/25/85/70/159258570.db2.gz AWXOGNQFNIJDRD-QWRGUYRKSA-N 1 0 320.349 0.693 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1([NH3+])CCC1 ZINC000342584101 286933309 /nfs/dbraw/zinc/93/33/09/286933309.db2.gz HRTVIWMRRCUSGB-SNVBAGLBSA-N 1 0 324.385 0.825 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000237291043 287066896 /nfs/dbraw/zinc/06/68/96/287066896.db2.gz OERLPMACEIPMHF-SNVBAGLBSA-N 1 0 311.338 0.954 20 5 DCBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249544768 287113390 /nfs/dbraw/zinc/11/33/90/287113390.db2.gz JZNSLEVIHQEJAG-QKCSRTOESA-N 1 0 323.349 0.449 20 5 DCBDRO COC[C@@]1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357272677 287205581 /nfs/dbraw/zinc/20/55/81/287205581.db2.gz NIHBVRHNHZBVID-HNNXBMFYSA-N 1 0 322.365 0.892 20 5 DCBDRO CC1(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C[NH2+]C1 ZINC000399287797 287230702 /nfs/dbraw/zinc/23/07/02/287230702.db2.gz QJPMIXVKTCSTJT-UHFFFAOYSA-N 1 0 304.350 0.853 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1COC[C@@H]1O ZINC000352816215 415333079 /nfs/dbraw/zinc/33/30/79/415333079.db2.gz NIGFHOYABAIRKR-OLZOCXBDSA-N 1 0 309.322 0.615 20 5 DCBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@H+](C)C1CC1 ZINC000057703651 415338591 /nfs/dbraw/zinc/33/85/91/415338591.db2.gz HXIUHABLESCWNB-JTQLQIEISA-N 1 0 308.338 0.355 20 5 DCBDRO CC1CC[NH+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000077678518 415460405 /nfs/dbraw/zinc/46/04/05/415460405.db2.gz IXGPIYREQZXQSA-UHFFFAOYSA-N 1 0 310.358 0.425 20 5 DCBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343477715 415609261 /nfs/dbraw/zinc/60/92/61/415609261.db2.gz SRLGJWOSOVTBOF-CHWSQXEVSA-N 1 0 322.413 0.791 20 5 DCBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000343723189 415697563 /nfs/dbraw/zinc/69/75/63/415697563.db2.gz NCBHFGVOWDNSAM-CMPLNLGQSA-N 1 0 309.322 0.155 20 5 DCBDRO Cc1cnn([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000289869933 415727791 /nfs/dbraw/zinc/72/77/91/415727791.db2.gz LRASWZFDSZTCTD-TZMCWYRMSA-N 1 0 320.353 0.604 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H](CN2CCOCC2)C1 ZINC000288978501 415698881 /nfs/dbraw/zinc/69/88/81/415698881.db2.gz GDDWDLMGMWUKAW-LLVKDONJSA-N 1 0 323.353 0.502 20 5 DCBDRO O=C1NCCN1CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000290209410 415775965 /nfs/dbraw/zinc/77/59/65/415775965.db2.gz HEMVWLSCFKCLJD-UHFFFAOYSA-N 1 0 319.365 0.742 20 5 DCBDRO NC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337312278 415941750 /nfs/dbraw/zinc/94/17/50/415941750.db2.gz DZTFXQRZVIITRG-JTQLQIEISA-N 1 0 321.337 0.666 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153148131 415977392 /nfs/dbraw/zinc/97/73/92/415977392.db2.gz GHOVTTKUWNYVTJ-OAHLLOKOSA-N 1 0 324.381 0.703 20 5 DCBDRO Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000297941398 415983670 /nfs/dbraw/zinc/98/36/70/415983670.db2.gz SBBQZLAPKMFEQV-SNVBAGLBSA-N 1 0 308.338 0.908 20 5 DCBDRO CNS(=O)(=O)c1ccc(NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000298282401 416000138 /nfs/dbraw/zinc/00/01/38/416000138.db2.gz GEVYCJLPSUSOPD-VIFPVBQESA-N 1 0 316.383 0.865 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000302853221 416101343 /nfs/dbraw/zinc/10/13/43/416101343.db2.gz JSOORLUHWXFITI-PHIMTYICSA-N 1 0 304.350 0.952 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000338540863 416107784 /nfs/dbraw/zinc/10/77/84/416107784.db2.gz RUVKVEDIUPKPAJ-HNNXBMFYSA-N 1 0 323.349 0.790 20 5 DCBDRO Cc1[nH]nc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1[N+](=O)[O-] ZINC000338749091 416133383 /nfs/dbraw/zinc/13/33/83/416133383.db2.gz MYDYLZMNBYVBSQ-UHFFFAOYSA-N 1 0 307.314 0.637 20 5 DCBDRO [NH3+]CCCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000357798195 416134244 /nfs/dbraw/zinc/13/42/44/416134244.db2.gz REPXZUPZMMFYFI-JTQLQIEISA-N 1 0 324.337 0.648 20 5 DCBDRO COc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358072453 416187559 /nfs/dbraw/zinc/18/75/59/416187559.db2.gz ZNJDGJKDZLNTCL-AWEZNQCLSA-N 1 0 309.322 0.400 20 5 DCBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000330678036 416228918 /nfs/dbraw/zinc/22/89/18/416228918.db2.gz BXFNGARDHVRUGA-WDEREUQCSA-N 1 0 310.354 0.840 20 5 DCBDRO C[C@H](CN1CCOCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183561946 416244757 /nfs/dbraw/zinc/24/47/57/416244757.db2.gz IXKSEFFQFATOCN-SNVBAGLBSA-N 1 0 309.326 0.832 20 5 DCBDRO CC(C)(CC(N)=O)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000186231077 416257304 /nfs/dbraw/zinc/25/73/04/416257304.db2.gz FVGJRQUEZLNTMQ-UHFFFAOYSA-N 1 0 320.349 0.728 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000189464985 416266482 /nfs/dbraw/zinc/26/64/82/416266482.db2.gz ISRDNZCCNLGCPA-UHFFFAOYSA-N 1 0 307.350 0.976 20 5 DCBDRO C[NH+](C)C[C@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCO1 ZINC000342246625 416300401 /nfs/dbraw/zinc/30/04/01/416300401.db2.gz SOJMSSGYQTUKGG-JTQLQIEISA-N 1 0 308.338 0.461 20 5 DCBDRO CC[C@H](CO)[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342266878 416302474 /nfs/dbraw/zinc/30/24/74/416302474.db2.gz NLMAGFZVBJYUID-LLVKDONJSA-N 1 0 322.365 0.587 20 5 DCBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331296705 416304809 /nfs/dbraw/zinc/30/48/09/416304809.db2.gz OAQGKSDTAUXSDJ-NSHDSACASA-N 1 0 311.386 0.605 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c2ncccc12 ZINC000193237910 416314786 /nfs/dbraw/zinc/31/47/86/416314786.db2.gz ZHESQRWORQXADY-SECBINFHSA-N 1 0 322.346 0.783 20 5 DCBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000193669171 416318742 /nfs/dbraw/zinc/31/87/42/416318742.db2.gz JPNOOYJPXGDHNP-SNVBAGLBSA-N 1 0 324.337 0.648 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000415510179 416345596 /nfs/dbraw/zinc/34/55/96/416345596.db2.gz JMDCCHAXKQGGIK-SECBINFHSA-N 1 0 324.337 0.643 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415515365 416346332 /nfs/dbraw/zinc/34/63/32/416346332.db2.gz CBDBQQFDLNKAOR-UHFFFAOYSA-N 1 0 312.301 0.788 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415539844 416346621 /nfs/dbraw/zinc/34/66/21/416346621.db2.gz NAEYLUICVXKEPA-GFCCVEGCSA-N 1 0 320.349 0.949 20 5 DCBDRO C[NH+](C)CCn1nccc1NC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000359493711 416347967 /nfs/dbraw/zinc/34/79/67/416347967.db2.gz NBVISMNPHDZQAS-UHFFFAOYSA-N 1 0 307.314 0.188 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418664547 416388463 /nfs/dbraw/zinc/38/84/63/416388463.db2.gz BDHANAACWBIQAP-WDNDVIMCSA-N 1 0 318.333 0.585 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCCO2)c1 ZINC000583439952 416465301 /nfs/dbraw/zinc/46/53/01/416465301.db2.gz BQYRJKXKGWOXGP-LLVKDONJSA-N 1 0 309.322 0.712 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000423094216 416466199 /nfs/dbraw/zinc/46/61/99/416466199.db2.gz BDXGYWJYPXEFAJ-CMPLNLGQSA-N 1 0 320.349 0.359 20 5 DCBDRO Cc1cc(OCC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000435819064 416537856 /nfs/dbraw/zinc/53/78/56/416537856.db2.gz PAPFPTXHGMHZPS-HNNXBMFYSA-N 1 0 323.349 0.465 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000423717428 416546062 /nfs/dbraw/zinc/54/60/62/416546062.db2.gz JVJGBIUAQVKITE-NSHDSACASA-N 1 0 322.365 0.627 20 5 DCBDRO COC1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]CC1 ZINC000423731723 416551160 /nfs/dbraw/zinc/55/11/60/416551160.db2.gz YFRVYSYLISRWNZ-UHFFFAOYSA-N 1 0 319.321 1.178 20 5 DCBDRO CNc1nccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598572940 416605008 /nfs/dbraw/zinc/60/50/08/416605008.db2.gz NHPXNGNCTHXSHB-NSHDSACASA-N 1 0 307.354 1.102 20 5 DCBDRO C[C@H]1CC2(CN1C(=O)Cn1cnc([N+](=O)[O-])n1)CC[NH2+]CC2 ZINC000424235236 416631832 /nfs/dbraw/zinc/63/18/32/416631832.db2.gz KRAALINPWHBIKH-JTQLQIEISA-N 1 0 308.342 0.177 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000368359889 416661834 /nfs/dbraw/zinc/66/18/34/416661834.db2.gz DRLSSODTMOZJAQ-IMRBUKKESA-N 1 0 313.317 0.728 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC000425658977 416718734 /nfs/dbraw/zinc/71/87/34/416718734.db2.gz HWBLUEUXVPPRFE-GXFFZTMASA-N 1 0 305.338 0.970 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000557265198 416732252 /nfs/dbraw/zinc/73/22/52/416732252.db2.gz QIILQVSOBYDPQI-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO C[NH+](C)CC1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000426965876 416792054 /nfs/dbraw/zinc/79/20/54/416792054.db2.gz VYXQHZDFXDCQGX-UHFFFAOYSA-N 1 0 324.385 0.775 20 5 DCBDRO O=C(NCCNc1cc[nH+]cc1)NCCn1cc([N+](=O)[O-])cn1 ZINC000426971032 416792652 /nfs/dbraw/zinc/79/26/52/416792652.db2.gz JEPISZBRDCJOQN-UHFFFAOYSA-N 1 0 319.325 0.020 20 5 DCBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000444801117 416872754 /nfs/dbraw/zinc/87/27/54/416872754.db2.gz VXSXVAIDGZGMCZ-RISCZKNCSA-N 1 0 312.370 0.984 20 5 DCBDRO Cc1n[nH]c(C(=O)NCCC[NH2+]Cc2cccnc2)c1[N+](=O)[O-] ZINC000428113893 416875919 /nfs/dbraw/zinc/87/59/19/416875919.db2.gz CVBZUMLZJBROQK-UHFFFAOYSA-N 1 0 318.337 0.931 20 5 DCBDRO CNc1nccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000563376655 416878190 /nfs/dbraw/zinc/87/81/90/416878190.db2.gz KGGRSEIWAZINLI-SECBINFHSA-N 1 0 307.354 1.244 20 5 DCBDRO CNc1nccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000563376686 416880040 /nfs/dbraw/zinc/88/00/40/416880040.db2.gz KGGRSEIWAZINLI-VIFPVBQESA-N 1 0 307.354 1.244 20 5 DCBDRO [NH3+]C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430934524 417083508 /nfs/dbraw/zinc/08/35/08/417083508.db2.gz MZKBDLSLMZKUQA-NSHDSACASA-N 1 0 304.350 0.765 20 5 DCBDRO Cc1n[nH]cc1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568502283 417144587 /nfs/dbraw/zinc/14/45/87/417144587.db2.gz MFKBXKBLYCHRLB-CYBMUJFWSA-N 1 0 308.342 0.406 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000449712785 417170687 /nfs/dbraw/zinc/17/06/87/417170687.db2.gz UGZUBGUIQVJGPN-LLVKDONJSA-N 1 0 308.338 0.501 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000568902239 417193169 /nfs/dbraw/zinc/19/31/69/417193169.db2.gz ZSDAAKROGVQBPI-YPMHNXCESA-N 1 0 308.313 0.478 20 5 DCBDRO Cc1cnc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000569569243 417267161 /nfs/dbraw/zinc/26/71/61/417267161.db2.gz TVYMNOALGUAXAS-ZDUSSCGKSA-N 1 0 306.326 0.083 20 5 DCBDRO Cc1c(NC(=O)NC[C@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000414696327 417295446 /nfs/dbraw/zinc/29/54/46/417295446.db2.gz HHBGACLQIKXQBH-LLVKDONJSA-N 1 0 307.354 0.928 20 5 DCBDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451762114 417394404 /nfs/dbraw/zinc/39/44/04/417394404.db2.gz QMXUKVQBSAMSCW-CHWSQXEVSA-N 1 0 309.322 0.615 20 5 DCBDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1O ZINC000451763930 417396126 /nfs/dbraw/zinc/39/61/26/417396126.db2.gz UBWMSOFRHXHPSW-ZIAGYGMSSA-N 1 0 323.349 0.923 20 5 DCBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000452349592 417470639 /nfs/dbraw/zinc/47/06/39/417470639.db2.gz NBUDHVXSNSBFTN-SNVBAGLBSA-N 1 0 324.337 0.272 20 5 DCBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000576050730 417575913 /nfs/dbraw/zinc/57/59/13/417575913.db2.gz QNDVLGQPCGJEAC-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DCBDRO CNc1nccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000579255321 417689477 /nfs/dbraw/zinc/68/94/77/417689477.db2.gz BRIFVTSMJPMIME-JQWIXIFHSA-N 1 0 321.381 1.444 20 5 DCBDRO CC(C)Oc1nc(NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000582013517 417732052 /nfs/dbraw/zinc/73/20/52/417732052.db2.gz OHDUXZKUBMTVQF-AWEZNQCLSA-N 1 0 312.370 1.502 20 5 DCBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(N)=O ZINC000276369150 261171512 /nfs/dbraw/zinc/17/15/12/261171512.db2.gz CIHUOHBAOWIJCB-UHFFFAOYSA-N 1 0 324.337 0.739 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000354950253 261291932 /nfs/dbraw/zinc/29/19/32/261291932.db2.gz FBWRUMIXGCCQAJ-GFCCVEGCSA-N 1 0 309.370 0.900 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000394076288 262162230 /nfs/dbraw/zinc/16/22/30/262162230.db2.gz QQNYJFHBPISPKB-GJBLVYBDSA-N 1 0 304.350 0.628 20 5 DCBDRO C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000417905868 262264436 /nfs/dbraw/zinc/26/44/36/262264436.db2.gz DHRCNIXWOHRVHE-QWRGUYRKSA-N 1 0 310.358 0.418 20 5 DCBDRO C[C@]1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[NH2+]C1 ZINC000417915783 262265105 /nfs/dbraw/zinc/26/51/05/262265105.db2.gz UCYVFNJNIIPEDI-ZDUSSCGKSA-N 1 0 310.358 0.480 20 5 DCBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)NCCn1cc([N+](=O)[O-])cn1 ZINC000417916972 262265171 /nfs/dbraw/zinc/26/51/71/262265171.db2.gz VTSGLAUNLPGMGZ-NSHDSACASA-N 1 0 310.358 0.623 20 5 DCBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417920336 262265346 /nfs/dbraw/zinc/26/53/46/262265346.db2.gz YTJBWFDGZPTMII-LBPRGKRZSA-N 1 0 312.374 0.806 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418772784 262288480 /nfs/dbraw/zinc/28/84/80/262288480.db2.gz BPBIXDPAZWVQMY-MNOVXSKESA-N 1 0 322.365 0.744 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418774186 262288551 /nfs/dbraw/zinc/28/85/51/262288551.db2.gz CXPNUQTXAYGWTE-WDEREUQCSA-N 1 0 320.349 0.592 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418775841 262289138 /nfs/dbraw/zinc/28/91/38/262289138.db2.gz FEXDCQMDLVNJBW-SNVBAGLBSA-N 1 0 308.338 0.498 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418781013 262289705 /nfs/dbraw/zinc/28/97/05/262289705.db2.gz LIDXGYJEIQNOLV-NSHDSACASA-N 1 0 322.365 0.888 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418788160 262290371 /nfs/dbraw/zinc/29/03/71/262290371.db2.gz VFKZUDJFSSUDPH-OUJBWJOFSA-N 1 0 320.349 0.578 20 5 DCBDRO [NH3+]C1(CNC(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000418921379 262298138 /nfs/dbraw/zinc/29/81/38/262298138.db2.gz JEMMFGQHJVXALD-UHFFFAOYSA-N 1 0 320.349 0.251 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419992115 262356256 /nfs/dbraw/zinc/35/62/56/262356256.db2.gz LIRQWJNWNRJKRR-JTQLQIEISA-N 1 0 320.349 0.333 20 5 DCBDRO COC(=O)c1cc(C)nc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000420250474 262367779 /nfs/dbraw/zinc/36/77/79/262367779.db2.gz UEKYDPXTCPEXOY-AOOOYVTPSA-N 1 0 306.322 0.740 20 5 DCBDRO CCn1cc(S(=O)(=O)N(C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])n1 ZINC000359997367 271156155 /nfs/dbraw/zinc/15/61/55/271156155.db2.gz APMGVHADNRWTJW-SECBINFHSA-N 1 0 317.371 0.169 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000419042006 271269742 /nfs/dbraw/zinc/26/97/42/271269742.db2.gz OPXRCCGQJFHIDH-PWSUYJOCSA-N 1 0 320.349 0.059 20 5 DCBDRO COC(=O)c1cc(C(=O)N[C@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000422857934 271389329 /nfs/dbraw/zinc/38/93/29/271389329.db2.gz HREGRYZABHCZRY-GFCCVEGCSA-N 1 0 307.306 0.849 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)CC[NH3+] ZINC000424064712 271396168 /nfs/dbraw/zinc/39/61/68/271396168.db2.gz WJWXNFLGKVUYOL-SNVBAGLBSA-N 1 0 322.365 0.957 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000447242921 271779402 /nfs/dbraw/zinc/77/94/02/271779402.db2.gz HNOPEFNSKORUHO-DTWKUNHWSA-N 1 0 317.371 0.169 20 5 DCBDRO CO[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000459755169 272007707 /nfs/dbraw/zinc/00/77/07/272007707.db2.gz JSQWGMIDMFPLBO-RWMBFGLXSA-N 1 0 310.354 0.699 20 5 DCBDRO CC(C)(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000494878802 272233809 /nfs/dbraw/zinc/23/38/09/272233809.db2.gz PONJCGIGVJIYCS-JQWIXIFHSA-N 1 0 307.354 0.737 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000132482885 274958691 /nfs/dbraw/zinc/95/86/91/274958691.db2.gz DIZALSCPFVUBMP-LLVKDONJSA-N 1 0 301.306 0.954 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000106479224 276202297 /nfs/dbraw/zinc/20/22/97/276202297.db2.gz BBWMYUFIJRVTCU-NSHDSACASA-N 1 0 321.385 0.183 20 5 DCBDRO CO[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261953580 277655725 /nfs/dbraw/zinc/65/57/25/277655725.db2.gz WUUZQNBRBHDTFN-VXGBXAGGSA-N 1 0 322.365 0.971 20 5 DCBDRO Cn1cc(C(C)(C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000546704311 288027537 /nfs/dbraw/zinc/02/75/37/288027537.db2.gz AAXHXGWKTBYJDE-GFCCVEGCSA-N 1 0 308.342 0.411 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000052093291 280358541 /nfs/dbraw/zinc/35/85/41/280358541.db2.gz WZSXYOPQWXZLQE-MRVPVSSYSA-N 1 0 305.743 0.888 20 5 DCBDRO Cc1c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000560565466 288511640 /nfs/dbraw/zinc/51/16/40/288511640.db2.gz ZHFVNOUPNXBZNQ-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565700492 288871782 /nfs/dbraw/zinc/87/17/82/288871782.db2.gz XGIZDCLILQXYDQ-JTQLQIEISA-N 1 0 316.383 0.998 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299920061 304809735 /nfs/dbraw/zinc/80/97/35/304809735.db2.gz NNZMVUARIQQBIJ-CMPLNLGQSA-N 1 0 311.363 0.967 20 5 DCBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000570798807 332817395 /nfs/dbraw/zinc/81/73/95/332817395.db2.gz BADHIRGWQQVOEB-UONOGXRCSA-N 1 0 305.334 0.856 20 5 DCBDRO O=C(C1CC[NH2+]CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000390708915 336947612 /nfs/dbraw/zinc/94/76/12/336947612.db2.gz IANFSAZMIYBUSS-UHFFFAOYSA-N 1 0 319.365 0.638 20 5 DCBDRO Cc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000582720814 337125024 /nfs/dbraw/zinc/12/50/24/337125024.db2.gz INAFVYANSWRJSC-AWEZNQCLSA-N 1 0 305.338 0.688 20 5 DCBDRO COC[C@@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000576637890 341856431 /nfs/dbraw/zinc/85/64/31/341856431.db2.gz JOOSHWPOQPCMHG-AWEZNQCLSA-N 1 0 308.338 0.675 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000414654015 534341933 /nfs/dbraw/zinc/34/19/33/534341933.db2.gz FTWLWVRWVSGSDF-UHFFFAOYSA-N 1 0 307.354 0.930 20 5 DCBDRO CC(C)[NH2+]C1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161445784 519718787 /nfs/dbraw/zinc/71/87/87/519718787.db2.gz PRSCIIIHHAOCNB-UHFFFAOYSA-N 1 0 324.385 0.963 20 5 DCBDRO C[NH+](C)CCCOC1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000267233885 524057413 /nfs/dbraw/zinc/05/74/13/524057413.db2.gz WFTIJPKHMRRVOT-UHFFFAOYSA-N 1 0 324.385 0.904 20 5 DCBDRO C[NH+](C)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCC1 ZINC000112915971 524058839 /nfs/dbraw/zinc/05/88/39/524058839.db2.gz KUJNCGDOOHHHAS-UHFFFAOYSA-N 1 0 310.358 0.519 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237620971 525232132 /nfs/dbraw/zinc/23/21/32/525232132.db2.gz CQWPKPJTHBSKKH-GXSJLCMTSA-N 1 0 306.322 0.273 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237551781 525346628 /nfs/dbraw/zinc/34/66/28/525346628.db2.gz SKJZVFGXBVLIDS-ZYHUDNBSSA-N 1 0 320.349 0.581 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248651273 527090714 /nfs/dbraw/zinc/09/07/14/527090714.db2.gz UXYJNXJCLAYBDE-SRVKXCTJSA-N 1 0 307.354 0.686 20 5 DCBDRO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993135 527850327 /nfs/dbraw/zinc/85/03/27/527850327.db2.gz STZMMYGPGPPWIV-UONOGXRCSA-N 1 0 311.386 0.424 20 5 DCBDRO NS(=O)(=O)c1ccc(OCC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000051869633 545655712 /nfs/dbraw/zinc/65/57/12/545655712.db2.gz KRMSXEWXYFCMCY-UHFFFAOYSA-N 1 0 315.351 0.621 20 5 DCBDRO CC[N@@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1C ZINC000825465786 607821969 /nfs/dbraw/zinc/82/19/69/607821969.db2.gz QPBYYAJPYAEWHB-SECBINFHSA-N 1 0 318.341 0.700 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cn[nH]n1 ZINC001022351423 657779483 /nfs/dbraw/zinc/77/94/83/657779483.db2.gz YKJJGEGYHXEZMA-PHIMTYICSA-N 1 0 316.321 0.764 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000891986101 658073064 /nfs/dbraw/zinc/07/30/64/658073064.db2.gz DQVYWVFKXOBWNU-UHFFFAOYSA-N 1 0 322.413 0.792 20 5 DCBDRO Cc1nccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064164 658821309 /nfs/dbraw/zinc/82/13/09/658821309.db2.gz YWUXIXFDGPKGTG-LSCVPOLPSA-N 1 0 305.338 0.187 20 5 DCBDRO COC(=O)CC(C)(C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000178334658 658957318 /nfs/dbraw/zinc/95/73/18/658957318.db2.gz DNRATZSXUJMJDB-JTQLQIEISA-N 1 0 300.315 0.084 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)CC2CC2)C1 ZINC001019926278 659635494 /nfs/dbraw/zinc/63/54/94/659635494.db2.gz JGJHHNWRTYKDBH-XYPYZODXSA-N 1 0 307.354 0.865 20 5 DCBDRO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000893046988 659705324 /nfs/dbraw/zinc/70/53/24/659705324.db2.gz IYXCRIVVVCUQEN-CHWSQXEVSA-N 1 0 322.413 0.791 20 5 DCBDRO C[C@@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000893046990 659705963 /nfs/dbraw/zinc/70/59/63/659705963.db2.gz IYXCRIVVVCUQEN-OLZOCXBDSA-N 1 0 322.413 0.791 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000261649919 661347615 /nfs/dbraw/zinc/34/76/15/661347615.db2.gz DYOOQFQYMCIEOI-ZJUUUORDSA-N 1 0 324.337 0.517 20 5 DCBDRO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000261856047 661754779 /nfs/dbraw/zinc/75/47/79/661754779.db2.gz XFBRIJDYBJNCAX-QMMMGPOBSA-N 1 0 303.340 0.490 20 5 DCBDRO Cn1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000983652409 661997638 /nfs/dbraw/zinc/99/76/38/661997638.db2.gz CEVBVQFZGMQYFQ-OJAKKHQRSA-N 1 0 307.354 0.070 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000262133790 662103173 /nfs/dbraw/zinc/10/31/73/662103173.db2.gz LQDJJOKFWRYAKQ-NSHDSACASA-N 1 0 307.354 0.590 20 5 DCBDRO C[C@H]1[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738690 662211773 /nfs/dbraw/zinc/21/17/73/662211773.db2.gz YALYMNYAXLHRPA-WDEREUQCSA-N 1 0 322.369 0.726 20 5 DCBDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000895772105 662214931 /nfs/dbraw/zinc/21/49/31/662214931.db2.gz CBJSBBIHAAPRQH-ZDUSSCGKSA-N 1 0 305.334 0.980 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000899729901 663183614 /nfs/dbraw/zinc/18/36/14/663183614.db2.gz QDWRJTNCFFTOGH-UHFFFAOYSA-N 1 0 301.730 0.902 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912610150 664194631 /nfs/dbraw/zinc/19/46/31/664194631.db2.gz FBFDXWRHDLLZCA-UHFFFAOYSA-N 1 0 324.381 0.657 20 5 DCBDRO CCS(=O)(=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000231656828 664630754 /nfs/dbraw/zinc/63/07/54/664630754.db2.gz IVTJWVXCQPUGQR-GFCCVEGCSA-N 1 0 302.352 0.653 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(CO)COCCN1C ZINC000922535674 666477660 /nfs/dbraw/zinc/47/76/60/666477660.db2.gz VGDVTVCWBZSOJQ-MRXNPFEDSA-N 1 0 323.393 0.994 20 5 DCBDRO CCc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000996429231 666791207 /nfs/dbraw/zinc/79/12/07/666791207.db2.gz MUMCVUZTXYKNMR-CHWSQXEVSA-N 1 0 322.365 0.983 20 5 DCBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345410 666920211 /nfs/dbraw/zinc/92/02/11/666920211.db2.gz TZNXCEBKFKRRRJ-MFKMUULPSA-N 1 0 312.326 0.444 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000861538618 666939639 /nfs/dbraw/zinc/93/96/39/666939639.db2.gz DIJDHIZJOKUVJB-SSDOTTSWSA-N 1 0 314.729 0.992 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2SCCS2)c1 ZINC000703075411 667045781 /nfs/dbraw/zinc/04/57/81/667045781.db2.gz MZYAHWWVSNBJGN-SECBINFHSA-N 1 0 304.397 0.548 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863830103 667187580 /nfs/dbraw/zinc/18/75/80/667187580.db2.gz PJCNGDKQQHEMAU-LBPRGKRZSA-N 1 0 322.365 0.457 20 5 DCBDRO COCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC2 ZINC001035186945 667268113 /nfs/dbraw/zinc/26/81/13/667268113.db2.gz MSLXMOPYVNENEB-CHWSQXEVSA-N 1 0 311.382 0.613 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865123514 667307220 /nfs/dbraw/zinc/30/72/20/667307220.db2.gz LYZKSYMXFWANQQ-UHFFFAOYSA-N 1 0 313.329 0.971 20 5 DCBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000923409307 667528932 /nfs/dbraw/zinc/52/89/32/667528932.db2.gz NSCIHOCCKDJSAW-MELADBBJSA-N 1 0 309.370 0.084 20 5 DCBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000923520115 667552616 /nfs/dbraw/zinc/55/26/16/667552616.db2.gz CITPHAXRWWTCJN-OLZOCXBDSA-N 1 0 311.363 0.166 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000738209543 667660864 /nfs/dbraw/zinc/66/08/64/667660864.db2.gz COCLVONXTPKVOU-CYBMUJFWSA-N 1 0 308.386 0.461 20 5 DCBDRO CC[NH+](CC)CC(=O)N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000103461717 667748373 /nfs/dbraw/zinc/74/83/73/667748373.db2.gz DTKPZXVNJBNXMQ-UHFFFAOYSA-N 1 0 324.385 0.235 20 5 DCBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124411466 667976333 /nfs/dbraw/zinc/97/63/33/667976333.db2.gz BOPAGZCKSVBDEE-SECBINFHSA-N 1 0 305.331 0.996 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764667 667993817 /nfs/dbraw/zinc/99/38/17/667993817.db2.gz SUPCNPSILUWLSP-UONOGXRCSA-N 1 0 320.349 0.661 20 5 DCBDRO C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC000839655945 668129206 /nfs/dbraw/zinc/12/92/06/668129206.db2.gz LCFBMYCPMFIUDZ-HUUCEWRRSA-N 1 0 321.377 0.951 20 5 DCBDRO C[NH+](C)C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])Cc2ccccc2C1 ZINC000839689749 668130970 /nfs/dbraw/zinc/13/09/70/668130970.db2.gz RVTSBSHCFGWYBV-ZIAGYGMSSA-N 1 0 303.362 0.867 20 5 DCBDRO Cc1ccc(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)cc1[N+](=O)[O-] ZINC000925043202 668269363 /nfs/dbraw/zinc/26/93/63/668269363.db2.gz BAEOXKHIAXMOKR-LLVKDONJSA-N 1 0 306.322 0.885 20 5 DCBDRO CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000926140541 668377364 /nfs/dbraw/zinc/37/73/64/668377364.db2.gz CPZXFKYOGGUZPD-BQVODAHPSA-N 1 0 311.382 0.248 20 5 DCBDRO COCCN1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877046937 668557381 /nfs/dbraw/zinc/55/73/81/668557381.db2.gz VBDIEXZOLVGRMT-HIFPTAJRSA-N 1 0 309.370 0.805 20 5 DCBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930353365 669000334 /nfs/dbraw/zinc/00/03/34/669000334.db2.gz JGICEFKNMRRUTE-HOTGVXAUSA-N 1 0 324.377 0.972 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000930368537 669002172 /nfs/dbraw/zinc/00/21/72/669002172.db2.gz USGCOVGXEAHYRC-LLVKDONJSA-N 1 0 307.354 0.700 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573506 669065620 /nfs/dbraw/zinc/06/56/20/669065620.db2.gz OYCHQGMXAHRLJN-KWCYVHTRSA-N 1 0 309.370 0.178 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000930874160 669098378 /nfs/dbraw/zinc/09/83/78/669098378.db2.gz FDYQAOSOKPPRMJ-CMPLNLGQSA-N 1 0 305.338 0.888 20 5 DCBDRO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131193 669162584 /nfs/dbraw/zinc/16/25/84/669162584.db2.gz IBQOXTKYINJHHK-MGPQQGTHSA-N 1 0 309.370 0.321 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)n1 ZINC000880582632 669243405 /nfs/dbraw/zinc/24/34/05/669243405.db2.gz ALDGSLZINJZVAO-LBPRGKRZSA-N 1 0 310.354 0.655 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000934572510 669616664 /nfs/dbraw/zinc/61/66/64/669616664.db2.gz AXSHXDZDADUSHS-SKDRFNHKSA-N 1 0 307.354 0.699 20 5 DCBDRO O=C1CC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)N1 ZINC000799168124 670046866 /nfs/dbraw/zinc/04/68/66/670046866.db2.gz LMSGXKRNHBUHHC-SNVBAGLBSA-N 1 0 307.310 0.233 20 5 DCBDRO Nc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157407 670393526 /nfs/dbraw/zinc/39/35/26/670393526.db2.gz WKTJCWHRKVVIGI-RYUDHWBXSA-N 1 0 320.349 0.458 20 5 DCBDRO COCCN1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000809733011 670459732 /nfs/dbraw/zinc/45/97/32/670459732.db2.gz OKACFPTZIQQGHD-ZFWWWQNUSA-N 1 0 309.366 0.939 20 5 DCBDRO C[NH+](C)C[C@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000811787809 670548623 /nfs/dbraw/zinc/54/86/23/670548623.db2.gz VRMMZSBAVXUXMR-SNVBAGLBSA-N 1 0 307.354 0.867 20 5 DCBDRO CC(C)(CCC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[N+](=O)[O-] ZINC000856257722 670798261 /nfs/dbraw/zinc/79/82/61/670798261.db2.gz YBKJCYALFWIUFB-CYBMUJFWSA-N 1 0 313.398 0.880 20 5 DCBDRO C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856411810 670816067 /nfs/dbraw/zinc/81/60/67/670816067.db2.gz ANDDKSOGBHZFEK-YNEHKIRRSA-N 1 0 311.382 0.753 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCc2nnc3n2CCC3)cc1 ZINC000818966135 671081119 /nfs/dbraw/zinc/08/11/19/671081119.db2.gz MUQBEWHJSLSODJ-ZDUSSCGKSA-N 1 0 317.349 0.998 20 5 DCBDRO CO[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000819066755 671092319 /nfs/dbraw/zinc/09/23/19/671092319.db2.gz DICIKLCMLLUREC-RKDXNWHRSA-N 1 0 312.248 0.319 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCN2CCCOCC2)cc1 ZINC000819251493 671105811 /nfs/dbraw/zinc/10/58/11/671105811.db2.gz RCSSATDUHATCLY-OAHLLOKOSA-N 1 0 309.366 0.940 20 5 DCBDRO Cn1nncc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819314466 671111326 /nfs/dbraw/zinc/11/13/26/671111326.db2.gz BQPAOGVGACCXLG-LLVKDONJSA-N 1 0 307.310 0.253 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000819369441 671114627 /nfs/dbraw/zinc/11/46/27/671114627.db2.gz KEMDWMASFMQBCO-CYBMUJFWSA-N 1 0 314.363 0.795 20 5 DCBDRO O=C1OCCN1[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000852436725 671130101 /nfs/dbraw/zinc/13/01/01/671130101.db2.gz MOGJRAWSCGVLGU-NSHDSACASA-N 1 0 322.321 0.283 20 5 DCBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1=NO[C@@H](C[NH3+])C1)CC2 ZINC000852890610 671187201 /nfs/dbraw/zinc/18/72/01/671187201.db2.gz ZNIYWNIWHYRIFX-SNVBAGLBSA-N 1 0 304.306 0.896 20 5 DCBDRO CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065517 671205825 /nfs/dbraw/zinc/20/58/25/671205825.db2.gz UTQCUTZLUCPFOW-SSDOTTSWSA-N 1 0 307.148 0.866 20 5 DCBDRO NC(=O)c1cc(N2CC[NH+](CCCCO)CC2)ccc1[N+](=O)[O-] ZINC000853373232 671230207 /nfs/dbraw/zinc/23/02/07/671230207.db2.gz QQCGCKAURUBDOE-UHFFFAOYSA-N 1 0 322.365 0.588 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615321 671467746 /nfs/dbraw/zinc/46/77/46/671467746.db2.gz REZUOFGTODMFCF-CYBMUJFWSA-N 1 0 311.338 0.323 20 5 DCBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000825743415 671471215 /nfs/dbraw/zinc/47/12/15/671471215.db2.gz WISFEHFHOGXZCF-HNNXBMFYSA-N 1 0 322.340 0.945 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827340088 671523720 /nfs/dbraw/zinc/52/37/20/671523720.db2.gz XMGVKGMWFYTQLO-MNOVXSKESA-N 1 0 307.354 0.803 20 5 DCBDRO COC(=O)Cc1ccc(NC[C@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000827373321 671525567 /nfs/dbraw/zinc/52/55/67/671525567.db2.gz ICXZRNWAYMESOF-NSHDSACASA-N 1 0 311.338 0.645 20 5 DCBDRO CS(=O)(=O)c1cc(-c2nc(CC[NH3+])no2)cc([N+](=O)[O-])c1 ZINC000843131190 672065424 /nfs/dbraw/zinc/06/54/24/672065424.db2.gz OBFPHQSDUAUKRL-UHFFFAOYSA-N 1 0 312.307 0.550 20 5 DCBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843360706 672086929 /nfs/dbraw/zinc/08/69/29/672086929.db2.gz KIIQPRLIPVNSMD-DFBGVHRSSA-N 1 0 316.361 0.994 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000106017697 672272068 /nfs/dbraw/zinc/27/20/68/672272068.db2.gz ACKRJGBDQMXNLT-ZYHUDNBSSA-N 1 0 300.336 0.405 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001020004293 693641480 /nfs/dbraw/zinc/64/14/80/693641480.db2.gz BJEFZKZKYGVOOU-MGCOHNPYSA-N 1 0 319.325 0.102 20 5 DCBDRO Cc1noc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139154 693709583 /nfs/dbraw/zinc/70/95/83/693709583.db2.gz UCQQJLMVLVGTFO-PRULPYPASA-N 1 0 308.338 0.693 20 5 DCBDRO COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccn1 ZINC001020139002 693709792 /nfs/dbraw/zinc/70/97/92/693709792.db2.gz MAGDBNJWDVDMRU-FDYHWXHSSA-N 1 0 320.349 0.492 20 5 DCBDRO NC(=O)C(=O)N1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001072934417 694685660 /nfs/dbraw/zinc/68/56/60/694685660.db2.gz CLBFVEIXEAOHGI-UHFFFAOYSA-N 1 0 318.333 0.114 20 5 DCBDRO CCOCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001571036138 1162669060 /nfs/dbraw/zinc/66/90/60/1162669060.db2.gz SFMSMORWQQMRRG-CHWSQXEVSA-N 1 0 311.382 0.613 20 5 DCBDRO Cc1ccc(OS(=O)(=O)C[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001574156846 1163650025 /nfs/dbraw/zinc/65/00/25/1163650025.db2.gz SLNZRCJXAIEULJ-SNVBAGLBSA-N 1 0 316.335 0.600 20 5 DCBDRO C[C@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1F ZINC001575069410 1163878202 /nfs/dbraw/zinc/87/82/02/1163878202.db2.gz LQSPISLLACCNOZ-ONGXEEELSA-N 1 0 311.313 0.942 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N(C)c2cc(C[NH3+])ccn2)n1 ZINC001578350580 1164981353 /nfs/dbraw/zinc/98/13/53/1164981353.db2.gz POKYJLXWXSFROV-UHFFFAOYSA-N 1 0 304.310 0.942 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001578536712 1165050379 /nfs/dbraw/zinc/05/03/79/1165050379.db2.gz FSMKYMPOQWVEAI-CQSZACIVSA-N 1 0 320.349 0.088 20 5 DCBDRO CN1CC[NH2+]C[C@H]1C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001578536710 1165050832 /nfs/dbraw/zinc/05/08/32/1165050832.db2.gz FSMKYMPOQWVEAI-AWEZNQCLSA-N 1 0 320.349 0.088 20 5 DCBDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001578638908 1165073852 /nfs/dbraw/zinc/07/38/52/1165073852.db2.gz XAEJFZIHFJBFOI-SMDDNHRTSA-N 1 0 309.366 0.812 20 5 DCBDRO C[NH2+]CCOCCNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC001578709770 1165089209 /nfs/dbraw/zinc/08/92/09/1165089209.db2.gz LITXXBVFGIGERY-UHFFFAOYSA-N 1 0 317.367 0.646 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2C[C@@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC001578746768 1165094362 /nfs/dbraw/zinc/09/43/62/1165094362.db2.gz SLXVNOXWBJXKCG-BDAKNGLRSA-N 1 0 314.367 0.429 20 5 DCBDRO CNc1nccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC001578763118 1165097534 /nfs/dbraw/zinc/09/75/34/1165097534.db2.gz BNONMABAEOOBNG-GXSJLCMTSA-N 1 0 305.338 0.856 20 5 DCBDRO CO[C@]1(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCOC1 ZINC001578926058 1165161190 /nfs/dbraw/zinc/16/11/90/1165161190.db2.gz AVZAYFGNLNILKM-GJZGRUSLSA-N 1 0 323.349 0.690 20 5 DCBDRO COc1cccc(C[C@@H]([NH3+])C(=O)Nc2c([N+](=O)[O-])ncn2C)c1 ZINC001579274443 1165258864 /nfs/dbraw/zinc/25/88/64/1165258864.db2.gz LRADTOLYWOIDHY-LLVKDONJSA-N 1 0 319.321 0.845 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001579479427 1165326378 /nfs/dbraw/zinc/32/63/78/1165326378.db2.gz OYCQYXHDEGYKTA-ZANVPECISA-N 1 0 306.322 0.941 20 5 DCBDRO Cc1n[nH]c(C(=O)N2C[C@@H](C(F)(F)F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001579514617 1165335023 /nfs/dbraw/zinc/33/50/23/1165335023.db2.gz SJIXTEPVSOXVIS-PHDIDXHHSA-N 1 0 307.232 0.588 20 5 DCBDRO [NH3+]CCCN(CC(F)(F)F)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC001580297045 1165561427 /nfs/dbraw/zinc/56/14/27/1165561427.db2.gz FBDKLNPXJUVINH-UHFFFAOYSA-N 1 0 309.248 0.531 20 5 DCBDRO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001580806816 1165722774 /nfs/dbraw/zinc/72/27/74/1165722774.db2.gz BTNNKIWYEZREGL-QCZZGDTMSA-N 1 0 303.318 0.792 20 5 DCBDRO O=C1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CN1C1C[NH2+]C1 ZINC001580837809 1165730849 /nfs/dbraw/zinc/73/08/49/1165730849.db2.gz IXAUDKUEDYBPCT-SSDOTTSWSA-N 1 0 311.729 0.628 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC001580875994 1165748844 /nfs/dbraw/zinc/74/88/44/1165748844.db2.gz VQCBZIFJTYHKRR-DTORHVGOSA-N 1 0 315.326 0.859 20 5 DCBDRO C[NH2+]C1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001591215250 1167162610 /nfs/dbraw/zinc/16/26/10/1167162610.db2.gz HRCCUIVTOLNCRP-UHFFFAOYSA-N 1 0 303.326 0.963 20 5 DCBDRO COC[C@](C)([NH3+])CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001591370046 1167242429 /nfs/dbraw/zinc/24/24/29/1167242429.db2.gz ISNYRQBXRUHUTJ-GFCCVEGCSA-N 1 0 307.314 0.551 20 5 DCBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2CC=CCC2)c(-c2nn[nH]n2)c1 ZINC001593485092 1167867409 /nfs/dbraw/zinc/86/74/09/1167867409.db2.gz QOZSVYIMJYCTMH-UHFFFAOYSA-N 1 0 316.325 0.844 20 5 DCBDRO Nc1ncc(C(=O)N2CC([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC001596117162 1167986669 /nfs/dbraw/zinc/98/66/69/1167986669.db2.gz HPOBAYHDKJSQAH-UHFFFAOYSA-N 1 0 321.337 0.165 20 5 DCBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603834356 1169407449 /nfs/dbraw/zinc/40/74/49/1169407449.db2.gz JTOWBUVERNLOQC-VHSXEESVSA-N 1 0 318.337 0.978 20 5 DCBDRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC001609278603 1170909561 /nfs/dbraw/zinc/90/95/61/1170909561.db2.gz QAXVCVYNJKUFQB-CYBMUJFWSA-N 1 0 318.337 0.978 20 5 DCBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1CS(N)(=O)=O ZINC001620627257 1171405165 /nfs/dbraw/zinc/40/51/65/1171405165.db2.gz QALKZHFCVPQVEA-PWSUYJOCSA-N 1 0 313.379 0.951 20 5 DCBDRO CN1CC[NH+](C2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)CC1 ZINC001643818335 1171986896 /nfs/dbraw/zinc/98/68/96/1171986896.db2.gz GSEOPLRNKLIYGQ-UHFFFAOYSA-N 1 0 321.381 0.775 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC001644751217 1172020775 /nfs/dbraw/zinc/02/07/75/1172020775.db2.gz OXDQNQZOQWVKCN-UHFFFAOYSA-N 1 0 307.306 0.995 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001645082127 1172027666 /nfs/dbraw/zinc/02/76/66/1172027666.db2.gz LCJFRMUPASAAOG-LBPRGKRZSA-N 1 0 321.337 0.537 20 5 DCBDRO CNc1c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001645426484 1172040674 /nfs/dbraw/zinc/04/06/74/1172040674.db2.gz RTFGGMBIKYGEIB-JTQLQIEISA-N 1 0 320.349 0.839 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC001647835820 1173056870 /nfs/dbraw/zinc/05/68/70/1173056870.db2.gz FJQOYYDLINLHSQ-UHFFFAOYSA-N 1 0 314.317 0.312 20 5 DCBDRO C[N@@H+]1C[C@@]2(C)CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001651301468 1173746154 /nfs/dbraw/zinc/74/61/54/1173746154.db2.gz HNTOPHQAGQXNJC-GASCZTMLSA-N 1 0 319.365 0.867 20 5 DCBDRO CC[C@@H](C)[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001654461527 1173805826 /nfs/dbraw/zinc/80/58/26/1173805826.db2.gz NXTXVBWWVVGGBE-TZMCWYRMSA-N 1 0 311.386 0.568 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC001654611001 1173807712 /nfs/dbraw/zinc/80/77/12/1173807712.db2.gz RVEFOXSLCCHJJE-VXGBXAGGSA-N 1 0 306.326 0.473 20 5 DCBDRO CCNS(=O)(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001655520875 1173822380 /nfs/dbraw/zinc/82/23/80/1173822380.db2.gz YLPFOHMTSAUHPU-UHFFFAOYSA-N 1 0 301.368 0.932 20 5 DCBDRO COc1cc(C[NH2+]C[C@H](O)c2cnn(C)c2)c([N+](=O)[O-])cc1O ZINC001655729058 1173825458 /nfs/dbraw/zinc/82/54/58/1173825458.db2.gz YLYHFBMTSNZPDE-ZDUSSCGKSA-N 1 0 322.321 0.866 20 5 DCBDRO CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001661385546 1174120537 /nfs/dbraw/zinc/12/05/37/1174120537.db2.gz WBLQIMXAWBDMBO-JOCQHMNTSA-N 1 0 320.349 0.468 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2C1 ZINC001672416235 1175106809 /nfs/dbraw/zinc/10/68/09/1175106809.db2.gz GQOQSUPLBOOUBK-LXTVHRRPSA-N 1 0 323.393 0.468 20 5 DCBDRO Cc1nccnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001673163921 1175176406 /nfs/dbraw/zinc/17/64/06/1175176406.db2.gz GCANBFDPWUGPBF-DGCLKSJQSA-N 1 0 319.365 0.579 20 5 DCBDRO CCn1nnc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001699651384 1178239501 /nfs/dbraw/zinc/23/95/01/1178239501.db2.gz OTKKLYCPQLAATN-GHMZBOCLSA-N 1 0 322.369 0.010 20 5 DCBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncn1C ZINC001732008850 1185632381 /nfs/dbraw/zinc/63/23/81/1185632381.db2.gz XIJHNNQJCWXCFR-ZIAGYGMSSA-N 1 0 323.397 0.802 20 5 DCBDRO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1nnc[nH]1 ZINC001733256456 1186205094 /nfs/dbraw/zinc/20/50/94/1186205094.db2.gz DQWWBYJOFOFWHY-UHFFFAOYSA-N 1 0 316.321 0.765 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1nncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001734017447 1186522332 /nfs/dbraw/zinc/52/23/32/1186522332.db2.gz MFMSZVMABFBOLO-GHMZBOCLSA-N 1 0 324.385 0.055 20 5 DCBDRO COc1cc(C)nc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164666510 719390166 /nfs/dbraw/zinc/39/01/66/719390166.db2.gz KSJYYYDXNSITLM-JQWIXIFHSA-N 1 0 308.338 0.826 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164665045 719394026 /nfs/dbraw/zinc/39/40/26/719394026.db2.gz FKLBZXZUSYWPEQ-UWVGGRQHSA-N 1 0 309.326 0.221 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H](O)[C@@H]([NH3+])C2)n1 ZINC001167089127 746968171 /nfs/dbraw/zinc/96/81/71/746968171.db2.gz AWDLLXQZDBBKIY-CRCLSJGQSA-N 1 0 305.747 0.268 20 5 DCBDRO CN1CCc2c(N[C@@H]3CCC(=O)NC3=O)ccc([N+](=O)[O-])c2C1 ZINC001167579231 747403270 /nfs/dbraw/zinc/40/32/70/747403270.db2.gz YAEXJKAEEKAWEC-GFCCVEGCSA-N 1 0 318.333 0.800 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1ccc(C[NH3+])cc1=N ZINC001167693373 747693832 /nfs/dbraw/zinc/69/38/32/747693832.db2.gz KOBVXNLGUBTUDK-UHFFFAOYSA-N 1 0 303.278 0.505 20 5 DCBDRO O=C(CC1OCCCO1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126224695 748325697 /nfs/dbraw/zinc/32/56/97/748325697.db2.gz MJWYLVCKYKTEGK-UHFFFAOYSA-N 1 0 323.349 0.954 20 5 DCBDRO COc1ccc(C)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943065 750155647 /nfs/dbraw/zinc/15/56/47/750155647.db2.gz JIYMVZQUJVYHTK-CHWSQXEVSA-N 1 0 307.350 0.875 20 5 DCBDRO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]21 ZINC001097584835 755682922 /nfs/dbraw/zinc/68/29/22/755682922.db2.gz YBRZUKNAZKHOOV-JYAVWHMHSA-N 1 0 319.365 0.492 20 5 DCBDRO COc1ccc(C[C@@H](C)NS(=O)(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC001170296968 762594862 /nfs/dbraw/zinc/59/48/62/762594862.db2.gz IVSDPPWCYBIFNN-SECBINFHSA-N 1 0 317.367 0.413 20 5 DCBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334051 762612274 /nfs/dbraw/zinc/61/22/74/762612274.db2.gz AGYGMRIWDFERSY-NVBFEUDRSA-N 1 0 310.350 0.819 20 5 DCBDRO Cc1oncc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086083172 759692517 /nfs/dbraw/zinc/69/25/17/759692517.db2.gz QAAOWLDKMXRZFU-GWNIPJSYSA-N 1 0 308.338 0.633 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)nn2)C1 ZINC001168980311 760528706 /nfs/dbraw/zinc/52/87/06/760528706.db2.gz CSSFAVTUBCKWPH-QWHCGFSZSA-N 1 0 321.381 0.848 20 5 DCBDRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968452 760534016 /nfs/dbraw/zinc/53/40/16/760534016.db2.gz ZFIFWDPTEBXAGY-YPMHNXCESA-N 1 0 319.427 0.836 20 5 DCBDRO O=C(NCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCOCC1 ZINC001168973874 760534864 /nfs/dbraw/zinc/53/48/64/760534864.db2.gz PBLLWTABNFOZOL-NEPJUHHUSA-N 1 0 300.359 0.063 20 5 DCBDRO CCS(=O)(=O)N([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]C1 ZINC001169048623 760563533 /nfs/dbraw/zinc/56/35/33/760563533.db2.gz ABEDASDMJKCEBF-RWMBFGLXSA-N 1 0 319.427 0.836 20 5 DCBDRO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CC[C@@H](C[N+](=O)[O-])C2)N1 ZINC001169048962 760563660 /nfs/dbraw/zinc/56/36/60/760563660.db2.gz VQYRSPQGQXRPIM-HSYFBALKSA-N 1 0 322.365 0.637 20 5 DCBDRO CCOC(=O)C1(Nc2cnc([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001169496131 760694459 /nfs/dbraw/zinc/69/44/59/760694459.db2.gz UVCILXMAIYCTBL-UHFFFAOYSA-N 1 0 309.326 0.824 20 5 DCBDRO O=C(Cn1cccn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123514501 767991184 /nfs/dbraw/zinc/99/11/84/767991184.db2.gz BUZJXPLZRBCEPZ-UHFFFAOYSA-N 1 0 303.322 0.697 20 5 DCBDRO O=C(Cn1cccn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123514878 767991447 /nfs/dbraw/zinc/99/14/47/767991447.db2.gz IFCBRAXZWSFMOZ-UHFFFAOYSA-N 1 0 309.351 0.759 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cn[nH]c(=O)c1 ZINC001129992851 763082288 /nfs/dbraw/zinc/08/22/88/763082288.db2.gz YTNMWCSQCATQMY-UHFFFAOYSA-N 1 0 317.305 0.610 20 5 DCBDRO Cc1cnc(N(C)CCNC(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001100115216 763325739 /nfs/dbraw/zinc/32/57/39/763325739.db2.gz DIHLLUCSYBJDFC-UHFFFAOYSA-N 1 0 321.381 0.946 20 5 DCBDRO C[C@@H](Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170563883 763840933 /nfs/dbraw/zinc/84/09/33/763840933.db2.gz NTHAZCCFPDHDFW-GMSGAONNSA-N 1 0 302.718 0.670 20 5 DCBDRO Cn1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]c1=O ZINC001133335041 764929909 /nfs/dbraw/zinc/92/99/09/764929909.db2.gz ISQFBOSZKGTOPF-UHFFFAOYSA-N 1 0 319.321 0.554 20 5 DCBDRO CCOC(=O)c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001170790821 765794161 /nfs/dbraw/zinc/79/41/61/765794161.db2.gz YWTDLHXZMIMNBX-SKDRFNHKSA-N 1 0 309.322 0.764 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001116071173 765839942 /nfs/dbraw/zinc/83/99/42/765839942.db2.gz SHOINGPJJAOQLK-UHFFFAOYSA-N 1 0 323.397 0.689 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116342075 765862771 /nfs/dbraw/zinc/86/27/71/765862771.db2.gz MDLCTYPERCGVPC-NWDGAFQWSA-N 1 0 322.365 0.555 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ncccn1 ZINC001135602249 766002128 /nfs/dbraw/zinc/00/21/28/766002128.db2.gz GYNIUICTCKJSJI-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cnc([N+](=O)[O-])c(OC)c1 ZINC001170871721 766174148 /nfs/dbraw/zinc/17/41/48/766174148.db2.gz IZZGSHGJRQVSKT-NXEZZACHSA-N 1 0 310.310 0.561 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001118492027 766333697 /nfs/dbraw/zinc/33/36/97/766333697.db2.gz DUDQOQRJMHAYJG-JTQLQIEISA-N 1 0 308.338 0.277 20 5 DCBDRO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1C[N@H+](C)CCN1C ZINC001120873072 767283074 /nfs/dbraw/zinc/28/30/74/767283074.db2.gz CJMGSGXKCGVPLM-MNOVXSKESA-N 1 0 319.369 0.684 20 5 DCBDRO C[C@H]1CN(c2nnc(C[N+](=O)[O-])n2C)CCN1c1cc[nH+]cc1 ZINC001121299965 767503340 /nfs/dbraw/zinc/50/33/40/767503340.db2.gz STIVGPKTMIQRKU-NSHDSACASA-N 1 0 317.353 0.702 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)n1 ZINC001147352420 767721860 /nfs/dbraw/zinc/72/18/60/767721860.db2.gz LLKAQUIBFHBNLY-FZMZJTMJSA-N 1 0 321.381 0.662 20 5 DCBDRO CC(C)[N@H+](C)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093674003 768687992 /nfs/dbraw/zinc/68/79/92/768687992.db2.gz IKJMCYATULONSB-UHFFFAOYSA-N 1 0 313.333 0.997 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001150934783 769221541 /nfs/dbraw/zinc/22/15/41/769221541.db2.gz ALWNPQNYPQXVDR-GFCCVEGCSA-N 1 0 315.333 0.975 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(-c2ccccn2)n1 ZINC001233994869 769519013 /nfs/dbraw/zinc/51/90/13/769519013.db2.gz SZRAHWBBTVONQO-GFCCVEGCSA-N 1 0 317.369 0.901 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2([C@@H]3CCCCO3)CC2)c1 ZINC001176431654 770098489 /nfs/dbraw/zinc/09/84/89/770098489.db2.gz IBYVXAJAVXTKRL-OLZOCXBDSA-N 1 0 310.354 0.844 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)nc1Cl ZINC001154766378 770288222 /nfs/dbraw/zinc/28/82/22/770288222.db2.gz WFWUQTLJNJGSAL-UHFFFAOYSA-N 1 0 308.747 0.676 20 5 DCBDRO COc1nc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc(OC)c1[N+](=O)[O-] ZINC001155033728 770371216 /nfs/dbraw/zinc/37/12/16/770371216.db2.gz OFMGYUVCKNPSDV-BQBZGAKWSA-N 1 0 301.278 0.514 20 5 DCBDRO [NH3+]CC1CN([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001155371618 770480440 /nfs/dbraw/zinc/48/04/40/770480440.db2.gz CBHPOLBGHINVQH-LLVKDONJSA-N 1 0 309.345 0.988 20 5 DCBDRO Cc1nc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155384849 770484471 /nfs/dbraw/zinc/48/44/71/770484471.db2.gz WOANCMOXYKXBQJ-LBPRGKRZSA-N 1 0 306.370 0.553 20 5 DCBDRO COc1ncnc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001155599257 770560690 /nfs/dbraw/zinc/56/06/90/770560690.db2.gz SEBKAIWZHDPMKH-IINYFYTJSA-N 1 0 323.353 0.964 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155638072 770574656 /nfs/dbraw/zinc/57/46/56/770574656.db2.gz AOOHRXHXSVIPDA-WOPDTQHZSA-N 1 0 322.321 0.708 20 5 DCBDRO CCOCCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155644571 770577107 /nfs/dbraw/zinc/57/71/07/770577107.db2.gz YGBONGQHFBXCGB-UHFFFAOYSA-N 1 0 313.358 0.351 20 5 DCBDRO Cn1nncc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458619 770759904 /nfs/dbraw/zinc/75/99/04/770759904.db2.gz OUTMJGYHXAXTOY-CHWSQXEVSA-N 1 0 324.385 0.247 20 5 DCBDRO COC(=O)C1(Nc2ncc(OC)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156528922 770847230 /nfs/dbraw/zinc/84/72/30/770847230.db2.gz KJTXUTRUNBTSTJ-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO [NH3+]CCc1nnn(-c2ccc(-c3ccc([N+](=O)[O-])cc3)nn2)n1 ZINC001156989562 770992671 /nfs/dbraw/zinc/99/26/71/770992671.db2.gz ZZNNPBFDNKHNAB-UHFFFAOYSA-N 1 0 312.293 0.529 20 5 DCBDRO CNC(=O)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001157001882 771516360 /nfs/dbraw/zinc/51/63/60/771516360.db2.gz ZGXFOTVAOWQOKV-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO O=[N+]([O-])c1cnc(NCCOc2cccnc2)nc1C1C[NH2+]C1 ZINC001157814689 771675937 /nfs/dbraw/zinc/67/59/37/771675937.db2.gz BHDKKRLGYDXNBW-UHFFFAOYSA-N 1 0 316.321 0.958 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001157979262 771706114 /nfs/dbraw/zinc/70/61/14/771706114.db2.gz CZUTVXXOUNMJNO-SECBINFHSA-N 1 0 317.305 0.778 20 5 DCBDRO Nc1cc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158260018 771748916 /nfs/dbraw/zinc/74/89/16/771748916.db2.gz BYEKXGFAKBTUEV-JTQLQIEISA-N 1 0 306.370 0.574 20 5 DCBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@H](O)C[NH+](C)C)c2c1 ZINC001184784750 771826478 /nfs/dbraw/zinc/82/64/78/771826478.db2.gz IOBKVMVMWRDCKN-JTQLQIEISA-N 1 0 320.349 0.908 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001159497576 771919569 /nfs/dbraw/zinc/91/95/69/771919569.db2.gz IYKXGENFYZQMTQ-BXKDBHETSA-N 1 0 324.337 0.955 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159679666 771943699 /nfs/dbraw/zinc/94/36/99/771943699.db2.gz VKCBLXCWYBJMQW-GZMMTYOYSA-N 1 0 310.310 0.159 20 5 DCBDRO CC(=O)NC[C@@H](C)CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160660825 772089524 /nfs/dbraw/zinc/08/95/24/772089524.db2.gz QFTFCDNIASUBGD-MRVPVSSYSA-N 1 0 308.342 0.256 20 5 DCBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001162103208 772326103 /nfs/dbraw/zinc/32/61/03/772326103.db2.gz CYJZORDNAPUIBO-GFCCVEGCSA-N 1 0 322.365 0.821 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1nc([N+](=O)[O-])ccc1OC ZINC001162537357 772388392 /nfs/dbraw/zinc/38/83/92/772388392.db2.gz KYSXGGSHIJMYSV-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO CNc1cc([N+](=O)[O-])cnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162973614 772438318 /nfs/dbraw/zinc/43/83/18/772438318.db2.gz MBFHMLDGQQZGEC-UHFFFAOYSA-N 1 0 318.341 0.728 20 5 DCBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163110764 772464368 /nfs/dbraw/zinc/46/43/68/772464368.db2.gz FRHSDZVZOHZSKU-JRKPZEMJSA-N 1 0 318.333 0.485 20 5 DCBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163250956 772491429 /nfs/dbraw/zinc/49/14/29/772491429.db2.gz PSLFJAUGSXGIFB-GXTWGEPZSA-N 1 0 306.322 0.902 20 5 DCBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163347688 772511222 /nfs/dbraw/zinc/51/12/22/772511222.db2.gz GVSVXHPKLBNOQV-NRUUGDAUSA-N 1 0 304.306 0.379 20 5 DCBDRO CCOC(=O)c1cn(-c2nc(C)ncc2[N+](=O)[O-])nc1C[NH3+] ZINC001163521061 772533759 /nfs/dbraw/zinc/53/37/59/772533759.db2.gz WMBNBZZMTSSMDA-UHFFFAOYSA-N 1 0 306.282 0.514 20 5 DCBDRO CCOC(=O)CC1([NH3+])CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001163527739 772535504 /nfs/dbraw/zinc/53/55/04/772535504.db2.gz HMHBFMOWYWMUDR-UHFFFAOYSA-N 1 0 324.337 0.479 20 5 DCBDRO CC[N@@H+]1CCCN(c2nc(OC)c([N+](=O)[O-])c(OC)n2)CC1 ZINC001163773481 772569496 /nfs/dbraw/zinc/56/94/96/772569496.db2.gz CYPQEJTUKZUIDK-UHFFFAOYSA-N 1 0 311.342 0.934 20 5 DCBDRO Nc1nc(N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001164124251 772614232 /nfs/dbraw/zinc/61/42/32/772614232.db2.gz GUKIZXQROBOBSA-WPRPVWTQSA-N 1 0 310.383 0.959 20 5 DCBDRO O=C1NCCN(c2nccc3cc([N+](=O)[O-])ccc32)C12C[NH2+]C2 ZINC001165300605 772720594 /nfs/dbraw/zinc/72/05/94/772720594.db2.gz DPGDGDVKLVNMIJ-UHFFFAOYSA-N 1 0 313.317 0.421 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001165436897 772737501 /nfs/dbraw/zinc/73/75/01/772737501.db2.gz MEQHJNRFFJXLFZ-SSDOTTSWSA-N 1 0 315.717 0.298 20 5 DCBDRO CCOC(=O)c1cnc(-n2ccnc2CC[NH3+])c([N+](=O)[O-])c1 ZINC001166276403 772797367 /nfs/dbraw/zinc/79/73/67/772797367.db2.gz JNXKGIODSDISFC-UHFFFAOYSA-N 1 0 305.294 0.853 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC001196083389 773536889 /nfs/dbraw/zinc/53/68/89/773536889.db2.gz MHXPOGXMYKCXEO-WVWOOGAGSA-N 1 0 310.354 0.245 20 5 DCBDRO Nc1ccc2n(C(=O)[C@H]3C[NH2+]C[C@@H]3O)c3ccccc3cc-2c1=O ZINC001219255460 774425002 /nfs/dbraw/zinc/42/50/02/774425002.db2.gz AIHVDNRVMMILEB-LRDDRELGSA-N 1 0 323.352 0.909 20 5 DCBDRO CCOC(=O)c1cc(COC(=O)C[C@@H](O)C[N+](C)(C)C)on1 ZINC001224263118 775550686 /nfs/dbraw/zinc/55/06/86/775550686.db2.gz VUDJJWJKAIAHOK-SNVBAGLBSA-N 1 0 315.346 0.352 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncn(-c2ccccc2)n1 ZINC001226194735 775779746 /nfs/dbraw/zinc/77/97/46/775779746.db2.gz VYKBZXSGQWKCHA-CYBMUJFWSA-N 1 0 305.358 0.630 20 5 DCBDRO COC(=O)c1cc(O)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228092714 776047485 /nfs/dbraw/zinc/04/74/85/776047485.db2.gz LVZKDEOAVOWNQG-GFCCVEGCSA-O 1 0 312.342 0.541 20 5 DCBDRO CCOC(=O)c1cnc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc1 ZINC001229848769 776229936 /nfs/dbraw/zinc/22/99/36/776229936.db2.gz DUTPCJAVBNRNNY-LLVKDONJSA-N 1 0 312.346 0.016 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccn2c(=O)ccnc12 ZINC001229925581 776237229 /nfs/dbraw/zinc/23/72/29/776237229.db2.gz RKMHGKSYNAHZNZ-LLVKDONJSA-N 1 0 306.342 0.057 20 5 DCBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cnon1 ZINC001266904287 939273200 /nfs/dbraw/zinc/27/32/00/939273200.db2.gz VKOCWKMZDPFNRK-UHFFFAOYSA-N 1 0 311.323 0.901 20 5 DCBDRO COc1ccc(C[C@H](C)N[C@@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001246307460 945380268 /nfs/dbraw/zinc/38/02/68/945380268.db2.gz MTDSEGLOQVLBQA-ZKYQVNSYSA-N 1 0 309.366 0.704 20 5 DCBDRO COc1ccc(C[C@@H](C)N2CC[C@@H]([NH3+])[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001246565616 945433534 /nfs/dbraw/zinc/43/35/34/945433534.db2.gz IAHVEMWDUDQLHW-WDBKCZKBSA-N 1 0 309.366 0.928 20 5 DCBDRO C[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319375870 945571454 /nfs/dbraw/zinc/57/14/54/945571454.db2.gz LLMZBBCMVUCXSA-LLVKDONJSA-N 1 0 308.338 0.215 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@]2(O)CCC[NH2+]C2)n1 ZINC001247775367 945574022 /nfs/dbraw/zinc/57/40/22/945574022.db2.gz BOQJUXXTDSZBAT-ZDUSSCGKSA-N 1 0 323.284 0.836 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@H]2COCC[NH2+]2)n1 ZINC001248137225 945593892 /nfs/dbraw/zinc/59/38/92/945593892.db2.gz FOOYAJVBYAYYRY-QMMMGPOBSA-N 1 0 309.257 0.710 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CN2CC[NH2+]CC2)n1 ZINC001248218719 945596780 /nfs/dbraw/zinc/59/67/80/945596780.db2.gz ZJGPDRTWRVOVGV-UHFFFAOYSA-N 1 0 308.273 0.584 20 5 DCBDRO C[C@H]([NH3+])C(=O)NCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001249070573 945619881 /nfs/dbraw/zinc/61/98/81/945619881.db2.gz RQWFCOZQSZMORX-YFKPBYRVSA-N 1 0 310.245 0.142 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC001253923444 946205356 /nfs/dbraw/zinc/20/53/56/946205356.db2.gz RVPOQYCNCLCLEU-UHFFFAOYSA-N 1 0 324.385 0.084 20 5 DCBDRO C[C@]1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC(=O)NC1=O ZINC001254577044 946410176 /nfs/dbraw/zinc/41/01/76/946410176.db2.gz BSJPULAAECWLRL-NHYWBVRUSA-N 1 0 303.318 0.847 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCN1CC3(COC3)C1)C2 ZINC001254582345 946412930 /nfs/dbraw/zinc/41/29/30/946412930.db2.gz SFZMYQXRGVWPBC-AWEZNQCLSA-N 1 0 303.362 0.984 20 5 DCBDRO C[NH+]1CCN(C2CN([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254611038 946415458 /nfs/dbraw/zinc/41/54/58/946415458.db2.gz OSHPURZBVJLMSJ-INIZCTEOSA-N 1 0 316.405 0.994 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC001322625632 946751181 /nfs/dbraw/zinc/75/11/81/946751181.db2.gz HYICWISVENWIJG-UHFFFAOYSA-N 1 0 324.385 0.084 20 5 DCBDRO O=C1NCCC12CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC001262020519 947532780 /nfs/dbraw/zinc/53/27/80/947532780.db2.gz CUKOIOQWBKJATO-UHFFFAOYSA-N 1 0 320.349 0.359 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCn1ccnn1 ZINC001262559017 947726236 /nfs/dbraw/zinc/72/62/36/947726236.db2.gz WSGKJYJNPBHBMY-LLVKDONJSA-N 1 0 307.310 0.216 20 5 DCBDRO O=C(C[C@@H]1COCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001325855957 947954441 /nfs/dbraw/zinc/95/44/41/947954441.db2.gz MICDQJJPOUSEMR-LLVKDONJSA-N 1 0 323.353 0.333 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001263709189 948737079 /nfs/dbraw/zinc/73/70/79/948737079.db2.gz KGHPQTJQZMDIGY-FZMZJTMJSA-N 1 0 304.350 0.599 20 5 DCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001329491514 949636424 /nfs/dbraw/zinc/63/64/24/949636424.db2.gz UCFSEZPPZHACBA-GHMZBOCLSA-N 1 0 308.338 0.390 20 5 DCBDRO C[C@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC001330019311 950061548 /nfs/dbraw/zinc/06/15/48/950061548.db2.gz JANDMTPQGIBRRG-CMPLNLGQSA-N 1 0 320.349 0.468 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH2+]CCC12CCC2 ZINC001331391196 951102619 /nfs/dbraw/zinc/10/26/19/951102619.db2.gz DGXWZRNIKKBUAL-UHFFFAOYSA-N 1 0 307.354 0.844 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001331732653 951278548 /nfs/dbraw/zinc/27/85/48/951278548.db2.gz YHRACAOPGDSZPB-JTQLQIEISA-N 1 0 308.338 0.059 20 5 DCBDRO CS(=O)(=O)NCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336699466 952754498 /nfs/dbraw/zinc/75/44/98/952754498.db2.gz KOJQVVAYJXKPDI-LBPRGKRZSA-N 1 0 317.367 0.157 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCn2ccnn2)c1 ZINC001336704103 952755730 /nfs/dbraw/zinc/75/57/30/952755730.db2.gz OFBQATNKZXJPJZ-GFCCVEGCSA-N 1 0 307.310 0.216 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)[C@@H](CO)C1 ZINC001339704691 953113220 /nfs/dbraw/zinc/11/32/20/953113220.db2.gz ZXSBLKIWFGZIGH-LLVKDONJSA-N 1 0 308.338 0.385 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C(=O)N1CCNCC[NH2+]CC1 ZINC001341100493 953211419 /nfs/dbraw/zinc/21/14/19/953211419.db2.gz WREVKICRSLZVAV-UHFFFAOYSA-N 1 0 306.366 0.847 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001341572458 953238678 /nfs/dbraw/zinc/23/86/78/953238678.db2.gz FLIMLTSLFRTJQR-ZDUSSCGKSA-N 1 0 323.349 0.811 20 5 DCBDRO CC(C)(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC001341908754 953258303 /nfs/dbraw/zinc/25/83/03/953258303.db2.gz ZPGXLCZMMXHNJR-WDEREUQCSA-N 1 0 307.354 0.594 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC001345930728 953765438 /nfs/dbraw/zinc/76/54/38/953765438.db2.gz JKKGARKNGZDLFK-SECBINFHSA-N 1 0 317.367 0.737 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001349418616 954746012 /nfs/dbraw/zinc/74/60/12/954746012.db2.gz UGKOHWJLILVXGE-GRYCIOLGSA-N 1 0 320.349 0.342 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC001353612633 956122695 /nfs/dbraw/zinc/12/26/95/956122695.db2.gz FORZYOOHZUXIKV-MGPQQGTHSA-N 1 0 305.334 0.884 20 5 DCBDRO Nc1nc(N2CC[NH+](CCCCCO)CC2)ncc1[N+](=O)[O-] ZINC001307177925 957591180 /nfs/dbraw/zinc/59/11/80/957591180.db2.gz NDXUDERDKDXMKQ-UHFFFAOYSA-N 1 0 310.358 0.252 20 5 DCBDRO CNC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001308083131 960168162 /nfs/dbraw/zinc/16/81/62/960168162.db2.gz OKMCUIHFASVLRW-UHFFFAOYSA-N 1 0 323.349 0.858 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC001528681240 1014381219 /nfs/dbraw/zinc/38/12/19/1014381219.db2.gz WSVFUZALZWDXQZ-HNNXBMFYSA-N 1 0 323.349 0.499 20 5 DCBDRO COc1c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC001450598780 1015240696 /nfs/dbraw/zinc/24/06/96/1015240696.db2.gz FEWNCEMXWPGMCD-LLVKDONJSA-N 1 0 323.349 0.790 20 5 DCBDRO CC(C)C1(O)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001473883698 1016987938 /nfs/dbraw/zinc/98/79/38/1016987938.db2.gz QFCYRBBSKUVFBG-ZDUSSCGKSA-N 1 0 312.370 0.635 20 5 DCBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCn2cc(CO)nn2)cc1 ZINC001474554525 1017024486 /nfs/dbraw/zinc/02/44/86/1017024486.db2.gz KUZXCGANCDQNPH-UHFFFAOYSA-N 1 0 305.338 0.901 20 5 DCBDRO CC[N@@H+]1CC[C@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001559265402 1012412891 /nfs/dbraw/zinc/41/28/91/1012412891.db2.gz OGMRMZQVIWIYRH-VIFPVBQESA-N 1 0 314.367 0.748 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C[C@H](O)c2ccnn2C)c1[N+](=O)[O-] ZINC001561020273 1012461464 /nfs/dbraw/zinc/46/14/64/1012461464.db2.gz BRNLXXYRKAYUIV-LBPRGKRZSA-N 1 0 322.321 0.866 20 5 DCBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@H](O)C3(O)CCC3)C2)nc1 ZINC001459701279 1012819782 /nfs/dbraw/zinc/81/97/82/1012819782.db2.gz SRMTZGMPASOMDQ-AAEUAGOBSA-N 1 0 322.365 0.752 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001520421293 1017273976 /nfs/dbraw/zinc/27/39/76/1017273976.db2.gz AFWDDTVFTPQYSV-AWEZNQCLSA-N 1 0 311.313 0.873 20 5 DCBDRO C[C@@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000286560395 219055563 /nfs/dbraw/zinc/05/55/63/219055563.db2.gz WWFONFYBHUPKEZ-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO COC(=O)[C@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552372 185302948 /nfs/dbraw/zinc/30/29/48/185302948.db2.gz VQOIQCWUYLVJBI-CQSZACIVSA-N 1 0 309.322 0.642 20 5 DCBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000178900738 530005153 /nfs/dbraw/zinc/00/51/53/530005153.db2.gz ZDLKFWZQECLEPD-GFCCVEGCSA-N 1 0 313.379 0.966 20 5 DCBDRO Nc1nccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000519619345 412520829 /nfs/dbraw/zinc/52/08/29/412520829.db2.gz WACSYMODGZKEHS-SNVBAGLBSA-N 1 0 323.353 0.149 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174501272 198343152 /nfs/dbraw/zinc/34/31/52/198343152.db2.gz YYLKCWRNRKXQST-LBPRGKRZSA-N 1 0 309.370 0.982 20 5 DCBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000159641655 291235488 /nfs/dbraw/zinc/23/54/88/291235488.db2.gz SDCJMQOXGRLRGS-UHFFFAOYSA-N 1 0 318.337 0.917 20 5 DCBDRO CN(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000316698484 291254608 /nfs/dbraw/zinc/25/46/08/291254608.db2.gz PLSKCOMDKPQRKQ-AWEZNQCLSA-N 1 0 311.386 0.616 20 5 DCBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000321662015 291257692 /nfs/dbraw/zinc/25/76/92/291257692.db2.gz QYXALIOMTAJCIS-DGCLKSJQSA-N 1 0 319.365 0.636 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000422696442 240179438 /nfs/dbraw/zinc/17/94/38/240179438.db2.gz XDRWWHLTVYWJLF-LBPRGKRZSA-N 1 0 320.349 0.583 20 5 DCBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2C1 ZINC000567908131 291390327 /nfs/dbraw/zinc/39/03/27/291390327.db2.gz WYVRMJZAKYXJQL-MRVPVSSYSA-N 1 0 302.294 0.781 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCSCC1 ZINC000264785281 204154187 /nfs/dbraw/zinc/15/41/87/204154187.db2.gz JQFVPOUVSVPMOA-UHFFFAOYSA-N 1 0 313.383 0.346 20 5 DCBDRO C[C@@H](CNc1ccc(C(N)=O)cc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000264964879 204309285 /nfs/dbraw/zinc/30/92/85/204309285.db2.gz XUKKGJOFNARWEB-NSHDSACASA-N 1 0 321.381 0.742 20 5 DCBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000344431312 253782242 /nfs/dbraw/zinc/78/22/42/253782242.db2.gz BHGOQNPSYGGDID-FZMZJTMJSA-N 1 0 322.365 0.483 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000345959726 253992314 /nfs/dbraw/zinc/99/23/14/253992314.db2.gz NMRFMHMRLNSRCI-UHFFFAOYSA-N 1 0 311.338 0.668 20 5 DCBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154017 254016080 /nfs/dbraw/zinc/01/60/80/254016080.db2.gz ILBAIENOAIZIOQ-RWMBFGLXSA-N 1 0 321.381 0.980 20 5 DCBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000346256314 254028406 /nfs/dbraw/zinc/02/84/06/254028406.db2.gz IMHSSKMEZWUCRX-SNVBAGLBSA-N 1 0 318.337 0.855 20 5 DCBDRO C[C@@H](CO)[N@@H+]1CCCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000346641136 254077248 /nfs/dbraw/zinc/07/72/48/254077248.db2.gz LCHYRTICGYUUOT-ZDUSSCGKSA-N 1 0 324.381 0.145 20 5 DCBDRO COc1cc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347552182 254166956 /nfs/dbraw/zinc/16/69/56/254166956.db2.gz GOKMCTRMSOOROJ-GXFFZTMASA-N 1 0 321.337 0.907 20 5 DCBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000351517444 254341763 /nfs/dbraw/zinc/34/17/63/254341763.db2.gz ABJCXHKYFYTZHX-CYBMUJFWSA-N 1 0 320.349 0.122 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC([NH3+])C1 ZINC000036265958 395722853 /nfs/dbraw/zinc/72/28/53/395722853.db2.gz QIIBTFNKAXCQPR-UHFFFAOYSA-N 1 0 301.324 0.371 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000194724838 395805682 /nfs/dbraw/zinc/80/56/82/395805682.db2.gz LEYXXZICRYHXMC-CYBMUJFWSA-N 1 0 320.349 0.535 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000047639026 395798588 /nfs/dbraw/zinc/79/85/88/395798588.db2.gz LESJGLYLFCRBMX-WDEREUQCSA-N 1 0 322.365 0.779 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000053718059 395888222 /nfs/dbraw/zinc/88/82/22/395888222.db2.gz ZJMBOHRLGNBPAH-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000237087611 395902445 /nfs/dbraw/zinc/90/24/45/395902445.db2.gz PNXVJOLKPNDCQQ-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000237230181 395907870 /nfs/dbraw/zinc/90/78/70/395907870.db2.gz NQXXFJNEXLHVLO-SNVBAGLBSA-N 1 0 315.351 0.619 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000125950937 395908306 /nfs/dbraw/zinc/90/83/06/395908306.db2.gz GKVJUMKOCXVHQQ-NSHDSACASA-N 1 0 301.306 0.872 20 5 DCBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000141568948 395958487 /nfs/dbraw/zinc/95/84/87/395958487.db2.gz GSXLPMLRBGTOAM-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000151323106 395983791 /nfs/dbraw/zinc/98/37/91/395983791.db2.gz KHPYNHOYUWJOQD-WDEREUQCSA-N 1 0 322.369 0.716 20 5 DCBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153872165 396027272 /nfs/dbraw/zinc/02/72/72/396027272.db2.gz KSBDLGFAZUXNRK-CYBMUJFWSA-N 1 0 309.370 0.980 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000249122841 396002751 /nfs/dbraw/zinc/00/27/51/396002751.db2.gz ZPHNVGWSRXTIKF-STQMWFEESA-N 1 0 324.381 0.143 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000262040636 396093191 /nfs/dbraw/zinc/09/31/91/396093191.db2.gz RVCQFVFRDDIYFX-WDEREUQCSA-N 1 0 324.385 0.695 20 5 DCBDRO CC[N@H+](C)CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000073094186 396141442 /nfs/dbraw/zinc/14/14/42/396141442.db2.gz NXEVURUCGYSAAM-UHFFFAOYSA-N 1 0 323.349 0.976 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278156669 396109019 /nfs/dbraw/zinc/10/90/19/396109019.db2.gz ABGMMJZQNUMQEA-SNVBAGLBSA-N 1 0 305.338 0.974 20 5 DCBDRO C[C@@H]1CN=C(N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)S1 ZINC000175806845 396142649 /nfs/dbraw/zinc/14/26/49/396142649.db2.gz OOWCXNUTLSWJOJ-LLVKDONJSA-N 1 0 324.410 0.900 20 5 DCBDRO NC(=O)c1ccc(SCC(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262499719 396147842 /nfs/dbraw/zinc/14/78/42/396147842.db2.gz ACSIYBCIJFHISQ-VIFPVBQESA-N 1 0 324.362 0.264 20 5 DCBDRO CC[NH+]1CCN(C[C@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076921896 396209918 /nfs/dbraw/zinc/20/99/18/396209918.db2.gz FLIMCFGOQGRVGX-LLVKDONJSA-N 1 0 323.401 0.653 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000073997155 396154964 /nfs/dbraw/zinc/15/49/64/396154964.db2.gz KXHMDICMHITDSN-NEPJUHHUSA-N 1 0 307.354 0.795 20 5 DCBDRO CC(C)C[C@H]1COCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743919 396186208 /nfs/dbraw/zinc/18/62/08/396186208.db2.gz ODAWVJVYDRJNBS-JSGCOSHPSA-N 1 0 312.370 0.899 20 5 DCBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000265287780 396305672 /nfs/dbraw/zinc/30/56/72/396305672.db2.gz JYWMVEFTZNYYPL-LBPRGKRZSA-N 1 0 309.370 0.982 20 5 DCBDRO CC(C)C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000269590532 396427309 /nfs/dbraw/zinc/42/73/09/396427309.db2.gz CHFFGKILVGUTCL-LBPRGKRZSA-N 1 0 324.381 0.849 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c2ncccc12 ZINC000193237922 396446961 /nfs/dbraw/zinc/44/69/61/396446961.db2.gz ZHESQRWORQXADY-VIFPVBQESA-N 1 0 322.346 0.783 20 5 DCBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000290862461 396474604 /nfs/dbraw/zinc/47/46/04/396474604.db2.gz IPYYIVRHXQVDBL-LBPRGKRZSA-N 1 0 324.381 0.993 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000581250245 396538057 /nfs/dbraw/zinc/53/80/57/396538057.db2.gz FEZUDUWKWLJVDN-VHSXEESVSA-N 1 0 314.367 0.738 20 5 DCBDRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000595242285 396568905 /nfs/dbraw/zinc/56/89/05/396568905.db2.gz PYIRWSWNEHVXAG-UHFFFAOYSA-N 1 0 306.322 0.921 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000595471129 396613518 /nfs/dbraw/zinc/61/35/18/396613518.db2.gz XKOUHUOGYMMJHP-AWEZNQCLSA-N 1 0 323.397 0.978 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000374632966 396677699 /nfs/dbraw/zinc/67/76/99/396677699.db2.gz WBULOZYDLJYLGS-SDDRHHMPSA-N 1 0 307.354 0.686 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000595932073 396685736 /nfs/dbraw/zinc/68/57/36/396685736.db2.gz KQQRNKDYNLTDTH-WCQYABFASA-N 1 0 309.322 0.583 20 5 DCBDRO CCCN1CCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563010050 396692921 /nfs/dbraw/zinc/69/29/21/396692921.db2.gz CZGFFZCELNMQON-GXTWGEPZSA-N 1 0 311.386 0.616 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860136 396695487 /nfs/dbraw/zinc/69/54/87/396695487.db2.gz DXSONEYXJHTPMU-KGLIPLIRSA-N 1 0 319.361 0.805 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860075 396695702 /nfs/dbraw/zinc/69/57/02/396695702.db2.gz CIPDAIOHXNHRRZ-WDEREUQCSA-N 1 0 320.349 0.458 20 5 DCBDRO COC(=O)c1cc(C(=O)N[C@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595990686 396704015 /nfs/dbraw/zinc/70/40/15/396704015.db2.gz CAWATFCQNVJAEK-CQSZACIVSA-N 1 0 307.306 0.863 20 5 DCBDRO C[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596078583 396715431 /nfs/dbraw/zinc/71/54/31/396715431.db2.gz WRIFLLJXWIJSLN-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO NC(=O)c1cc(N2CCC[N@H+](CCO)CC2)ccc1[N+](=O)[O-] ZINC000596112801 396718239 /nfs/dbraw/zinc/71/82/39/396718239.db2.gz DPGSJZGMWIQLDD-UHFFFAOYSA-N 1 0 308.338 0.198 20 5 DCBDRO O=C1NCC[C@@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000563358160 396723422 /nfs/dbraw/zinc/72/34/22/396723422.db2.gz WGESKPBIZPJBMF-GFCCVEGCSA-N 1 0 319.365 0.638 20 5 DCBDRO C[C@@H]1C[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)S1 ZINC000304285229 396729138 /nfs/dbraw/zinc/72/91/38/396729138.db2.gz FNLYYKBKRCXULF-FOGDFJRCSA-N 1 0 300.384 0.978 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600106241 396738706 /nfs/dbraw/zinc/73/87/06/396738706.db2.gz VSWCQJKHPYEGKP-UHFFFAOYSA-N 1 0 323.353 0.115 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000316674400 396796139 /nfs/dbraw/zinc/79/61/39/396796139.db2.gz VZNOIIHFSVNNHD-GWCFXTLKSA-N 1 0 308.338 0.581 20 5 DCBDRO CCC(C)(C)OCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000308692238 396758307 /nfs/dbraw/zinc/75/83/07/396758307.db2.gz KZVGDJJCPVAOGL-GFCCVEGCSA-N 1 0 300.359 0.947 20 5 DCBDRO C[C@@H](CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[NH+](C)C ZINC000596429316 396773389 /nfs/dbraw/zinc/77/33/89/396773389.db2.gz HFRJAAJOOQPIQG-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO NC(=O)[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611249326 396846250 /nfs/dbraw/zinc/84/62/50/396846250.db2.gz BNDVRKGUHYSTTO-SECBINFHSA-N 1 0 307.306 0.673 20 5 DCBDRO COc1ccc(C(=O)N(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000320857266 396814728 /nfs/dbraw/zinc/81/47/28/396814728.db2.gz IHWBWCIIWXVYOP-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000591291904 396895177 /nfs/dbraw/zinc/89/51/77/396895177.db2.gz IHUWIJQFGOIPDY-NSHDSACASA-N 1 0 306.322 0.792 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000591355918 396907227 /nfs/dbraw/zinc/90/72/27/396907227.db2.gz ALJZWVKRGJJWCZ-BXUZGUMPSA-N 1 0 322.365 0.895 20 5 DCBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000376441266 396930313 /nfs/dbraw/zinc/93/03/13/396930313.db2.gz KVFZIXWKKITJAZ-YPMHNXCESA-N 1 0 307.354 0.877 20 5 DCBDRO O=C1NCCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591734687 396994531 /nfs/dbraw/zinc/99/45/31/396994531.db2.gz ANIFWCCEYVGILB-DGCLKSJQSA-N 1 0 323.349 0.450 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COCc2ccccc2)c1 ZINC000591756706 396996736 /nfs/dbraw/zinc/99/67/36/396996736.db2.gz RYFMJAIJTVZQRU-HNNXBMFYSA-N 1 0 320.349 0.959 20 5 DCBDRO Cn1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000591760070 396998742 /nfs/dbraw/zinc/99/87/42/396998742.db2.gz CDNHWUUPVCTDAB-CYBMUJFWSA-N 1 0 320.349 0.900 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000597619329 397034431 /nfs/dbraw/zinc/03/44/31/397034431.db2.gz FVUNAJWILAMZJU-NSHDSACASA-N 1 0 323.353 0.645 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601264189 397035640 /nfs/dbraw/zinc/03/56/40/397035640.db2.gz WFTIGNQKWPKFPW-UHFFFAOYSA-N 1 0 311.313 0.920 20 5 DCBDRO CN(CCC[NH3+])C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000591679706 396975924 /nfs/dbraw/zinc/97/59/24/396975924.db2.gz UVQIQJHLMBEXEQ-UHFFFAOYSA-N 1 0 315.351 0.419 20 5 DCBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000377511366 397091446 /nfs/dbraw/zinc/09/14/46/397091446.db2.gz JJPSFTVWJGZJMU-ONGXEEELSA-N 1 0 322.321 0.288 20 5 DCBDRO COCC[NH2+]CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000572362607 397050565 /nfs/dbraw/zinc/05/05/65/397050565.db2.gz UFXJPJYULGDFEZ-UHFFFAOYSA-N 1 0 311.338 0.498 20 5 DCBDRO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461761 397060635 /nfs/dbraw/zinc/06/06/35/397060635.db2.gz ODOLPABVMALZSY-XHDPSFHLSA-N 1 0 307.350 0.881 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000573000109 397122902 /nfs/dbraw/zinc/12/29/02/397122902.db2.gz NROMUKVDTIIJIB-JTQLQIEISA-N 1 0 319.321 0.661 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592206545 397129586 /nfs/dbraw/zinc/12/95/86/397129586.db2.gz ZOWIGGAUTXVFEJ-DGCLKSJQSA-N 1 0 324.333 0.829 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000592468948 397184444 /nfs/dbraw/zinc/18/44/44/397184444.db2.gz PYYFHDUSKIZIIA-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592474858 397185702 /nfs/dbraw/zinc/18/57/02/397185702.db2.gz GXLUFASXZIAENB-BXUZGUMPSA-N 1 0 322.365 0.890 20 5 DCBDRO CN1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000592477461 397186978 /nfs/dbraw/zinc/18/69/78/397186978.db2.gz XCANXNLDZXRIHA-LBPRGKRZSA-N 1 0 324.406 0.788 20 5 DCBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000598187037 397187505 /nfs/dbraw/zinc/18/75/05/397187505.db2.gz ORAPBNSISSKMEF-UHFFFAOYSA-N 1 0 322.365 0.687 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000592491272 397191842 /nfs/dbraw/zinc/19/18/42/397191842.db2.gz IYPFFTKSLPAWJH-CYBMUJFWSA-N 1 0 323.349 0.940 20 5 DCBDRO CCN1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676556 397193655 /nfs/dbraw/zinc/19/36/55/397193655.db2.gz GJUJOLLCFOHOER-NEPJUHHUSA-N 1 0 323.349 0.545 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378167554 397203961 /nfs/dbraw/zinc/20/39/61/397203961.db2.gz CBEOGNHYDIMPFQ-NWDGAFQWSA-N 1 0 322.369 0.717 20 5 DCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000592442452 397180447 /nfs/dbraw/zinc/18/04/47/397180447.db2.gz PRQSEPNARLLZDO-QWRGUYRKSA-N 1 0 322.365 0.496 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974534 397278662 /nfs/dbraw/zinc/27/86/62/397278662.db2.gz SKZHFRHRLLNCGU-XQQFMLRXSA-N 1 0 308.334 0.913 20 5 DCBDRO [NH3+][C@@]12CCC[C@@H]1CN(S(=O)(=O)c1cccnc1[N+](=O)[O-])C2 ZINC000598724996 397284690 /nfs/dbraw/zinc/28/46/90/397284690.db2.gz MZTUWCYWLAPEFJ-BXKDBHETSA-N 1 0 312.351 0.492 20 5 DCBDRO [NH3+][C@@]12CCC[C@H]1CN(S(=O)(=O)c1cccnc1[N+](=O)[O-])C2 ZINC000598725004 397284946 /nfs/dbraw/zinc/28/49/46/397284946.db2.gz MZTUWCYWLAPEFJ-JOYOIKCWSA-N 1 0 312.351 0.492 20 5 DCBDRO CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592828309 397259299 /nfs/dbraw/zinc/25/92/99/397259299.db2.gz GFKGERIDWHPEMM-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO C[C@@H](CO)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000593085815 397322083 /nfs/dbraw/zinc/32/20/83/397322083.db2.gz XQCBZHMJUFCBNF-FZMZJTMJSA-N 1 0 312.370 0.493 20 5 DCBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000602495291 397420882 /nfs/dbraw/zinc/42/08/82/397420882.db2.gz XDCKTDJDGBKNHS-NSHDSACASA-N 1 0 322.340 0.854 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000602798775 397488597 /nfs/dbraw/zinc/48/85/97/397488597.db2.gz HYPOGNBUFIYDHI-ZDUSSCGKSA-N 1 0 309.370 0.506 20 5 DCBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000603052672 397558863 /nfs/dbraw/zinc/55/88/63/397558863.db2.gz LZJWORAEHMEJPO-LBPRGKRZSA-N 1 0 311.313 0.920 20 5 DCBDRO C[N@@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602904677 397519463 /nfs/dbraw/zinc/51/94/63/397519463.db2.gz JPMXOONQHOPLCL-AWEZNQCLSA-N 1 0 309.366 0.972 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000602960701 397535091 /nfs/dbraw/zinc/53/50/91/397535091.db2.gz NSOPJYIWXSZZGE-PWSUYJOCSA-N 1 0 305.338 0.888 20 5 DCBDRO COc1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599909279 397538254 /nfs/dbraw/zinc/53/82/54/397538254.db2.gz WVZZXPONTIRASM-LLVKDONJSA-N 1 0 324.337 0.391 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000579238637 397541709 /nfs/dbraw/zinc/54/17/09/397541709.db2.gz PPSNGVADUISPKR-SECBINFHSA-N 1 0 300.340 0.410 20 5 DCBDRO COCC[NH2+]CCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000579241411 397542824 /nfs/dbraw/zinc/54/28/24/397542824.db2.gz RNTJKQGSRONXGQ-UHFFFAOYSA-N 1 0 311.294 0.289 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCn2cncn2)c1 ZINC000603632989 397618228 /nfs/dbraw/zinc/61/82/28/397618228.db2.gz YAQPNFIAYIYVDD-CYBMUJFWSA-N 1 0 321.337 0.606 20 5 DCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000609269917 397768193 /nfs/dbraw/zinc/76/81/93/397768193.db2.gz ZQUGTNWVSMCVGX-NSHDSACASA-N 1 0 310.354 0.774 20 5 DCBDRO CC(C)[NH2+][C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390995 397817071 /nfs/dbraw/zinc/81/70/71/397817071.db2.gz GRVHIBHOIPURID-OCCSQVGLSA-N 1 0 311.386 0.615 20 5 DCBDRO CN(C)S(=O)(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000037715051 157989201 /nfs/dbraw/zinc/98/92/01/157989201.db2.gz ITPDZGHEINPVJY-UHFFFAOYSA-N 1 0 316.383 0.996 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000126849016 158269102 /nfs/dbraw/zinc/26/91/02/158269102.db2.gz OMSWPQPXZIKYGJ-DTORHVGOSA-N 1 0 315.326 0.574 20 5 DCBDRO C[NH+](C)CC(C)(C)CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000132278875 158309206 /nfs/dbraw/zinc/30/92/06/158309206.db2.gz DALIJWIFMHGQGW-UHFFFAOYSA-N 1 0 310.354 0.461 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000133205218 158317343 /nfs/dbraw/zinc/31/73/43/158317343.db2.gz HYNFCYCNHRKABS-VIFPVBQESA-N 1 0 317.367 0.737 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261638101 158724399 /nfs/dbraw/zinc/72/43/99/158724399.db2.gz DQONIIREOLVKLX-GFCCVEGCSA-N 1 0 322.340 0.854 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261892727 158750723 /nfs/dbraw/zinc/75/07/23/158750723.db2.gz NXSGMAWPHPVXPD-HNNXBMFYSA-N 1 0 318.377 0.643 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000330561766 159193804 /nfs/dbraw/zinc/19/38/04/159193804.db2.gz JEBCSANJCQAIPC-UHFFFAOYSA-N 1 0 309.370 0.900 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000368314378 159387137 /nfs/dbraw/zinc/38/71/37/159387137.db2.gz ZQPTWJUDHKOIEK-GDNZZTSVSA-N 1 0 311.363 0.708 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000408370125 160093696 /nfs/dbraw/zinc/09/36/96/160093696.db2.gz HFPWTCYCZPHIOK-WDEREUQCSA-N 1 0 307.354 0.977 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)C(C)(C)C ZINC000134442318 287016322 /nfs/dbraw/zinc/01/63/22/287016322.db2.gz FOCMEZMVVJGRMO-RYUDHWBXSA-N 1 0 300.359 0.491 20 5 DCBDRO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+](C)C1CC1 ZINC000151307058 287033123 /nfs/dbraw/zinc/03/31/23/287033123.db2.gz TUSHALAEFWIXPS-SNVBAGLBSA-N 1 0 310.358 0.573 20 5 DCBDRO COC[C@]1(CNC(=O)CNc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357272679 287205610 /nfs/dbraw/zinc/20/56/10/287205610.db2.gz NIHBVRHNHZBVID-OAHLLOKOSA-N 1 0 322.365 0.892 20 5 DCBDRO O=[N+]([O-])c1ccc(OCCN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000352504909 415198310 /nfs/dbraw/zinc/19/83/10/415198310.db2.gz WAGHTSLBAFQSIQ-HNNXBMFYSA-N 1 0 320.393 0.953 20 5 DCBDRO CC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342584889 415218104 /nfs/dbraw/zinc/21/81/04/415218104.db2.gz XORXSHSFLNIPRV-NSHDSACASA-N 1 0 320.349 0.991 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332105483 415248111 /nfs/dbraw/zinc/24/81/11/415248111.db2.gz RMMRZPVQHLKNNV-NSHDSACASA-N 1 0 308.338 0.717 20 5 DCBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1CCOC ZINC000270954589 415259296 /nfs/dbraw/zinc/25/92/96/415259296.db2.gz MQLNIVJOPHKZEL-LLVKDONJSA-N 1 0 324.385 0.904 20 5 DCBDRO COC[C@@H]1CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000342741284 415276724 /nfs/dbraw/zinc/27/67/24/415276724.db2.gz NABYZXZTGSMLSP-TZMCWYRMSA-N 1 0 312.370 0.901 20 5 DCBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000332231145 415307495 /nfs/dbraw/zinc/30/74/95/415307495.db2.gz MNGJACBIEZGEPI-MNOVXSKESA-N 1 0 308.342 0.272 20 5 DCBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000352813710 415332457 /nfs/dbraw/zinc/33/24/57/415332457.db2.gz DWLHBKCYXVIMKK-UHTWSYAYSA-N 1 0 312.322 0.026 20 5 DCBDRO CCn1cc(S(=O)(=O)NC(CC)(CC)C[NH3+])c([N+](=O)[O-])n1 ZINC000353222019 415481041 /nfs/dbraw/zinc/48/10/41/415481041.db2.gz YSNSZXSVGHFIEI-UHFFFAOYSA-N 1 0 319.387 0.607 20 5 DCBDRO COc1ccc(NC(=O)[C@@H](C)N(C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000353202655 415473119 /nfs/dbraw/zinc/47/31/19/415473119.db2.gz LXWHMWPRTPDUGC-SECBINFHSA-N 1 0 324.337 0.738 20 5 DCBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000353516604 415574391 /nfs/dbraw/zinc/57/43/91/415574391.db2.gz SBIMHEULGDABNU-LLVKDONJSA-N 1 0 324.381 0.851 20 5 DCBDRO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343477753 415609459 /nfs/dbraw/zinc/60/94/59/415609459.db2.gz SRLGJWOSOVTBOF-STQMWFEESA-N 1 0 322.413 0.791 20 5 DCBDRO Cc1cnn([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000289867854 415729029 /nfs/dbraw/zinc/72/90/29/415729029.db2.gz LRASWZFDSZTCTD-GXTWGEPZSA-N 1 0 320.353 0.604 20 5 DCBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354057608 415738114 /nfs/dbraw/zinc/73/81/14/415738114.db2.gz XEKNISOWHOVJPM-JTQLQIEISA-N 1 0 311.342 0.141 20 5 DCBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000123167452 415837816 /nfs/dbraw/zinc/83/78/16/415837816.db2.gz RXVNAILOAAYFJK-ZETCQYMHSA-N 1 0 305.743 0.888 20 5 DCBDRO C[C@H]1COCCN1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000355090601 415843275 /nfs/dbraw/zinc/84/32/75/415843275.db2.gz SFLHFMKPHCVPJG-LBPRGKRZSA-N 1 0 323.349 0.811 20 5 DCBDRO CCC[C@]1(CO)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127284 415844442 /nfs/dbraw/zinc/84/44/42/415844442.db2.gz JMKGCHUECBDCEW-KBPBESRZSA-N 1 0 312.370 0.637 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000126351343 415872837 /nfs/dbraw/zinc/87/28/37/415872837.db2.gz DLUDBAXXSJGXIA-VHSXEESVSA-N 1 0 322.321 0.271 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000153119793 415974398 /nfs/dbraw/zinc/97/43/98/415974398.db2.gz PPWNKJVHXQFPOL-CQSZACIVSA-N 1 0 310.354 0.436 20 5 DCBDRO COc1cc(OCC(=O)NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000337591441 415980823 /nfs/dbraw/zinc/98/08/23/415980823.db2.gz MZATWNGTRFUOAY-UHFFFAOYSA-N 1 0 309.322 0.804 20 5 DCBDRO COc1c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000356786538 415987510 /nfs/dbraw/zinc/98/75/10/415987510.db2.gz XMLVPTSKMCSMQJ-CQSZACIVSA-N 1 0 309.322 0.400 20 5 DCBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298958301 416041673 /nfs/dbraw/zinc/04/16/73/416041673.db2.gz BJIGGRPITIZJPQ-LBPRGKRZSA-N 1 0 323.397 0.926 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC([NH+](C)C)C1 ZINC000345296219 416073537 /nfs/dbraw/zinc/07/35/37/416073537.db2.gz IALKBPRHXZSJEP-NSHDSACASA-N 1 0 324.385 0.600 20 5 DCBDRO NS(=O)(=O)c1cc(NCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000298772584 416029430 /nfs/dbraw/zinc/02/94/30/416029430.db2.gz GIUYMZILZFXERD-UHFFFAOYSA-N 1 0 314.367 0.750 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000357583613 416100589 /nfs/dbraw/zinc/10/05/89/416100589.db2.gz PXCATEKGCOWITE-QMMMGPOBSA-N 1 0 312.301 0.739 20 5 DCBDRO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+]1CCC[C@H](C)C1 ZINC000357892260 416148851 /nfs/dbraw/zinc/14/88/51/416148851.db2.gz RPTZRABQFMJWRA-WDEREUQCSA-N 1 0 310.358 0.423 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000358052561 416177796 /nfs/dbraw/zinc/17/77/96/416177796.db2.gz FURIDJCAERPRED-AWEZNQCLSA-N 1 0 319.321 0.268 20 5 DCBDRO CN(CC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000358051267 416177969 /nfs/dbraw/zinc/17/79/69/416177969.db2.gz BKEKQGXSUDUCBJ-OAHLLOKOSA-N 1 0 322.365 0.214 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000180512158 416198131 /nfs/dbraw/zinc/19/81/31/416198131.db2.gz VPKVKIFPECISJV-UHFFFAOYSA-N 1 0 305.338 0.929 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000358128008 416198304 /nfs/dbraw/zinc/19/83/04/416198304.db2.gz STQGFXQVMZPZJW-LLVKDONJSA-N 1 0 324.337 0.201 20 5 DCBDRO COCC[N@H+](C)CCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347406039 416216289 /nfs/dbraw/zinc/21/62/89/416216289.db2.gz JXVYFDJRDIIQGM-UHFFFAOYSA-N 1 0 305.338 1.528 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347421199 416219213 /nfs/dbraw/zinc/21/92/13/416219213.db2.gz YWLLDABBKXLHEM-CQSZACIVSA-N 1 0 305.338 1.263 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000358306730 416221820 /nfs/dbraw/zinc/22/18/20/416221820.db2.gz HXACPCOPRIXQTD-AWEZNQCLSA-N 1 0 303.322 1.017 20 5 DCBDRO COC(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000191858493 416292033 /nfs/dbraw/zinc/29/20/33/416292033.db2.gz CGNPGLNJSXIPLR-YPMHNXCESA-N 1 0 323.349 0.888 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415517868 416346469 /nfs/dbraw/zinc/34/64/69/416346469.db2.gz LJNBJACXGHQPJM-UHFFFAOYSA-N 1 0 308.338 0.958 20 5 DCBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415859057 416356460 /nfs/dbraw/zinc/35/64/60/416356460.db2.gz ACJMRMMTTJRCCQ-JTQLQIEISA-N 1 0 324.312 0.931 20 5 DCBDRO Cc1ccc(NCCCNC(=O)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000237667819 416328590 /nfs/dbraw/zinc/32/85/90/416328590.db2.gz WFQLAUPAOCMODN-AWEZNQCLSA-N 1 0 322.365 0.810 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(CCCO)CC2)c1 ZINC000360099032 416370196 /nfs/dbraw/zinc/37/01/96/416370196.db2.gz QQPOUVZYEJBLMT-AWEZNQCLSA-N 1 0 312.370 0.637 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@@H]3C[NH2+]C[C@H]3O)n2)cc1 ZINC000420259539 416418056 /nfs/dbraw/zinc/41/80/56/416418056.db2.gz YUJYMTFYVZMFEI-GXSJLCMTSA-N 1 0 305.294 0.637 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000419756600 416409084 /nfs/dbraw/zinc/40/90/84/416409084.db2.gz GZMJIUXVNQJQHN-VIFPVBQESA-N 1 0 308.338 0.325 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N[C@H](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000419760963 416409709 /nfs/dbraw/zinc/40/97/09/416409709.db2.gz OWNZGNLFNZVONI-SECBINFHSA-N 1 0 308.338 0.373 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361105089 416421771 /nfs/dbraw/zinc/42/17/71/416421771.db2.gz GOGVFJYHIIPOCD-QWHCGFSZSA-N 1 0 321.381 0.994 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423674616 416538561 /nfs/dbraw/zinc/53/85/61/416538561.db2.gz HBOINMHBRVGTFP-LLVKDONJSA-N 1 0 322.365 0.899 20 5 DCBDRO C[NH+](C)CC[C@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593906544 416548810 /nfs/dbraw/zinc/54/88/10/416548810.db2.gz IYFYFYLUTJGHSY-JTQLQIEISA-N 1 0 306.326 0.689 20 5 DCBDRO COCC(=O)NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000610484873 416657198 /nfs/dbraw/zinc/65/71/98/416657198.db2.gz XXVHBZFIJGKUAX-UHFFFAOYSA-N 1 0 311.342 0.018 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000441609567 416675834 /nfs/dbraw/zinc/67/58/34/416675834.db2.gz FBNYWIQHVXAPIZ-VIFPVBQESA-N 1 0 304.310 0.500 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000441615879 416675915 /nfs/dbraw/zinc/67/59/15/416675915.db2.gz SJMUXGWSORLULL-NXEZZACHSA-N 1 0 324.337 0.503 20 5 DCBDRO CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[N@@H+]1CCO ZINC000614932414 416729224 /nfs/dbraw/zinc/72/92/24/416729224.db2.gz NBLWYECKXZKGHK-UHFFFAOYSA-N 1 0 324.337 0.224 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000370044783 416875102 /nfs/dbraw/zinc/87/51/02/416875102.db2.gz HPFFUELJKSKINL-LBPRGKRZSA-N 1 0 309.370 0.482 20 5 DCBDRO C[NH2+]CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000429094196 287334543 /nfs/dbraw/zinc/33/45/43/287334543.db2.gz PJMINJVAOVSCPZ-UHFFFAOYSA-N 1 0 314.729 0.314 20 5 DCBDRO CC(C)([NH3+])CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429649981 287339416 /nfs/dbraw/zinc/33/94/16/287339416.db2.gz DESNAYZFVJKIKE-UHFFFAOYSA-N 1 0 309.322 0.762 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000447237117 416972065 /nfs/dbraw/zinc/97/20/65/416972065.db2.gz FRFOKNVVNVSRIZ-QMMMGPOBSA-N 1 0 303.340 0.477 20 5 DCBDRO CCn1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000447251051 416977179 /nfs/dbraw/zinc/97/71/79/416977179.db2.gz XNBAJAUISDJNAP-DTWKUNHWSA-N 1 0 317.371 0.169 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429558818 416978787 /nfs/dbraw/zinc/97/87/87/416978787.db2.gz VGHMDRFQLKGYBX-MNOVXSKESA-N 1 0 324.385 0.681 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447918282 417043549 /nfs/dbraw/zinc/04/35/49/417043549.db2.gz BDHSEHYNPMYWLC-DGCLKSJQSA-N 1 0 323.349 0.971 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H]([NH3+])C1 ZINC000430641026 417052772 /nfs/dbraw/zinc/05/27/72/417052772.db2.gz SAACTOWXMCZADC-ZJUUUORDSA-N 1 0 308.338 0.963 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337644 417102866 /nfs/dbraw/zinc/10/28/66/417102866.db2.gz MHTOOULLDCWNFH-AWEZNQCLSA-N 1 0 321.381 0.640 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430721619 287350682 /nfs/dbraw/zinc/35/06/82/287350682.db2.gz LUBVDFGOPHIURJ-LLVKDONJSA-N 1 0 309.370 0.994 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000449583905 417152695 /nfs/dbraw/zinc/15/26/95/417152695.db2.gz BXPLONCZBNXVIH-NXEZZACHSA-N 1 0 323.353 0.246 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449587328 417152986 /nfs/dbraw/zinc/15/29/86/417152986.db2.gz IYSRWSMIFFAQRY-BDAKNGLRSA-N 1 0 304.310 0.641 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000449708881 417169550 /nfs/dbraw/zinc/16/95/50/417169550.db2.gz WVMMOGOBMHMFTC-GFCCVEGCSA-N 1 0 323.349 0.858 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000449700649 417167256 /nfs/dbraw/zinc/16/72/56/417167256.db2.gz QELAKUIZXVEEOD-GFCCVEGCSA-N 1 0 318.333 0.974 20 5 DCBDRO COCC[NH2+]CCNC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000414647748 417292884 /nfs/dbraw/zinc/29/28/84/417292884.db2.gz ACVFRXSNJAFEFL-UHFFFAOYSA-N 1 0 312.326 0.961 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000570444058 417353695 /nfs/dbraw/zinc/35/36/95/417353695.db2.gz LGOXYWDWVMTTTJ-MRVPVSSYSA-N 1 0 323.275 0.886 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415317657 417365148 /nfs/dbraw/zinc/36/51/48/417365148.db2.gz PVYRJZHFDZBSKT-NSHDSACASA-N 1 0 320.349 0.964 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000575800213 417549962 /nfs/dbraw/zinc/54/99/62/417549962.db2.gz HBOACBUOZRXJFH-ZIAGYGMSSA-N 1 0 310.354 0.653 20 5 DCBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc[nH]c(=O)c1 ZINC000575252552 417524969 /nfs/dbraw/zinc/52/49/69/417524969.db2.gz OZWUKEJYFHOWQC-BXKDBHETSA-N 1 0 307.310 0.604 20 5 DCBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc[nH]c(=O)c1 ZINC000575252807 417525091 /nfs/dbraw/zinc/52/50/91/417525091.db2.gz OZWUKEJYFHOWQC-SKDRFNHKSA-N 1 0 307.310 0.604 20 5 DCBDRO CNC(=O)C1C[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000184784896 261119278 /nfs/dbraw/zinc/11/92/78/261119278.db2.gz VCAOZYUEUIMFLU-LBPRGKRZSA-N 1 0 309.322 0.012 20 5 DCBDRO CCC(CC)[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000230565669 261153756 /nfs/dbraw/zinc/15/37/56/261153756.db2.gz FKELXRIIZWAGOZ-CHWSQXEVSA-N 1 0 300.359 0.539 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237347768 261159706 /nfs/dbraw/zinc/15/97/06/261159706.db2.gz MDTDEXBHIJIXKL-SNVBAGLBSA-N 1 0 318.337 0.761 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000243332735 261165818 /nfs/dbraw/zinc/16/58/18/261165818.db2.gz LPUJUJHWBBHLII-UHFFFAOYSA-N 1 0 323.353 0.630 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])nn3C)[C@H]2C1 ZINC000355317035 261330105 /nfs/dbraw/zinc/33/01/05/261330105.db2.gz KFTXCWBLBXEFOP-NWDGAFQWSA-N 1 0 323.353 0.264 20 5 DCBDRO COC(=O)[C@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000413507342 262214993 /nfs/dbraw/zinc/21/49/93/262214993.db2.gz WHBLFUOUAPTVDR-LLVKDONJSA-N 1 0 308.338 0.839 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418086093 262269754 /nfs/dbraw/zinc/26/97/54/262269754.db2.gz YAEZOZDRSPLFOX-MRVPVSSYSA-N 1 0 306.326 0.865 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418474721 262278492 /nfs/dbraw/zinc/27/84/92/262278492.db2.gz PZUQBTAVQJEVBI-SNVBAGLBSA-N 1 0 308.338 0.962 20 5 DCBDRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1cccc([N+](=O)[O-])c1 ZINC000418772933 262288808 /nfs/dbraw/zinc/28/88/08/262288808.db2.gz BSPCKUHLWIYODT-JTQLQIEISA-N 1 0 320.349 0.770 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000419152506 262313540 /nfs/dbraw/zinc/31/35/40/262313540.db2.gz OIBHOUDYSDSSPV-MNOVXSKESA-N 1 0 320.349 0.640 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419239516 262322607 /nfs/dbraw/zinc/32/26/07/262322607.db2.gz ALQWYCBMBPQSPE-VHSXEESVSA-N 1 0 308.338 0.544 20 5 DCBDRO C[C@@H](CO)[N@@H+]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420612860 262378377 /nfs/dbraw/zinc/37/83/77/262378377.db2.gz PYXFKINMPVMXIK-NSHDSACASA-N 1 0 322.365 0.587 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)C1CCOCC1 ZINC000359865984 271147637 /nfs/dbraw/zinc/14/76/37/271147637.db2.gz CFOSLYXYZIFYQZ-CYBMUJFWSA-N 1 0 311.338 0.134 20 5 DCBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)(CO)CO ZINC000361274765 271177944 /nfs/dbraw/zinc/17/79/44/271177944.db2.gz TUQFESSDOVFLEX-UHFFFAOYSA-N 1 0 308.338 0.894 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419044366 271269736 /nfs/dbraw/zinc/26/97/36/271269736.db2.gz TXFYLBJGAMYGIH-LBPRGKRZSA-N 1 0 320.349 0.122 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000419269060 271281065 /nfs/dbraw/zinc/28/10/65/271281065.db2.gz LMHAASXOOXZFOG-PWSUYJOCSA-N 1 0 320.349 0.640 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000422726856 271381096 /nfs/dbraw/zinc/38/10/96/271381096.db2.gz GCSRSPXDAMCNDL-LBPRGKRZSA-N 1 0 320.349 0.501 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000422864403 271390939 /nfs/dbraw/zinc/39/09/39/271390939.db2.gz UYJDJPQVKMWRII-LBPRGKRZSA-N 1 0 320.349 0.487 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000447251880 271782038 /nfs/dbraw/zinc/78/20/38/271782038.db2.gz ZJSCOKYTYAOTJM-IUCAKERBSA-N 1 0 317.371 0.230 20 5 DCBDRO O=[N+]([O-])c1cccc(F)c1CN(CCO)CCOCCO ZINC000459769863 272008928 /nfs/dbraw/zinc/00/89/28/272008928.db2.gz APPVURPGIIVUAO-UHFFFAOYSA-N 1 0 302.302 0.537 20 5 DCBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000488699366 272048736 /nfs/dbraw/zinc/04/87/36/272048736.db2.gz CNWDFSDEOYZQOU-ZDUSSCGKSA-N 1 0 323.397 0.976 20 5 DCBDRO C[N@@H+]1CC[C@@]2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000488718722 272048806 /nfs/dbraw/zinc/04/88/06/272048806.db2.gz MTYZJCVKTWMZKD-CQSZACIVSA-N 1 0 305.338 0.621 20 5 DCBDRO C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000494780740 272231093 /nfs/dbraw/zinc/23/10/93/272231093.db2.gz CRSSGTPVBJFYRI-WDEREUQCSA-N 1 0 321.337 0.814 20 5 DCBDRO CC[N@H+](C)CCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000184316813 276071215 /nfs/dbraw/zinc/07/12/15/276071215.db2.gz RNAJJCQGMGIBEK-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC000548943787 288188512 /nfs/dbraw/zinc/18/85/12/288188512.db2.gz YAKYBWOZQZRSNZ-UHFFFAOYSA-N 1 0 323.353 0.693 20 5 DCBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCO1 ZINC000549357285 288196809 /nfs/dbraw/zinc/19/68/09/288196809.db2.gz ZNTHMARYOMSYSX-SNVBAGLBSA-N 1 0 311.342 0.549 20 5 DCBDRO O=[N+]([O-])c1cccnc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000370675280 280376265 /nfs/dbraw/zinc/37/62/65/280376265.db2.gz DHNXLZFCCIFMOH-UHFFFAOYSA-N 1 0 322.365 0.653 20 5 DCBDRO [NH3+]CC1(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000563119479 288634696 /nfs/dbraw/zinc/63/46/96/288634696.db2.gz AQPFAPFKHZXNAZ-UHFFFAOYSA-N 1 0 300.340 0.540 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2c3ccccc3C[C@@H]2O)c1 ZINC000563141638 288638435 /nfs/dbraw/zinc/63/84/35/288638435.db2.gz LSPAHRISZDBLQM-VHDGCEQUSA-N 1 0 318.333 0.400 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000353068135 294543410 /nfs/dbraw/zinc/54/34/10/294543410.db2.gz QJDQJXZTSUYERC-NSHDSACASA-N 1 0 307.354 0.933 20 5 DCBDRO COc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261595913 295197607 /nfs/dbraw/zinc/19/76/07/295197607.db2.gz IZDPGMQGZQHBCG-WCBMZHEXSA-N 1 0 315.351 0.571 20 5 DCBDRO [NH3+]C1(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000342597885 295208630 /nfs/dbraw/zinc/20/86/30/295208630.db2.gz SYHDUFGEVLPHKS-UHFFFAOYSA-N 1 0 307.306 0.977 20 5 DCBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000582137853 333776276 /nfs/dbraw/zinc/77/62/76/333776276.db2.gz CQHCCLXMTNIJRP-HNNXBMFYSA-N 1 0 305.334 0.781 20 5 DCBDRO Cc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000582720815 337125048 /nfs/dbraw/zinc/12/50/48/337125048.db2.gz INAFVYANSWRJSC-CQSZACIVSA-N 1 0 305.338 0.688 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577410612 341908769 /nfs/dbraw/zinc/90/87/69/341908769.db2.gz AEDHPJNOCYEGLF-VXGBXAGGSA-N 1 0 319.321 0.371 20 5 DCBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000582137854 518200006 /nfs/dbraw/zinc/20/00/06/518200006.db2.gz CQHCCLXMTNIJRP-OAHLLOKOSA-N 1 0 305.334 0.781 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000266448747 520245255 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O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000850592232 670921589 /nfs/dbraw/zinc/92/15/89/670921589.db2.gz JNAOFUIKIMIXAF-UHFFFAOYSA-N 1 0 315.326 0.764 20 5 DCBDRO CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000817657125 670928092 /nfs/dbraw/zinc/92/80/92/670928092.db2.gz UYXJIVZUNNMTEU-HUUCEWRRSA-N 1 0 324.425 0.670 20 5 DCBDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818362419 671008325 /nfs/dbraw/zinc/00/83/25/671008325.db2.gz WGDXUPLRHAGKTB-KWQFWETISA-N 1 0 306.322 0.975 20 5 DCBDRO [NH3+]CCc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000818536069 671029366 /nfs/dbraw/zinc/02/93/66/671029366.db2.gz RSPKJYITPVXKDX-UHFFFAOYSA-N 1 0 304.310 0.004 20 5 DCBDRO CO[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000819066749 671091659 /nfs/dbraw/zinc/09/16/59/671091659.db2.gz DICIKLCMLLUREC-BDAKNGLRSA-N 1 0 312.248 0.319 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC000819177147 671100289 /nfs/dbraw/zinc/10/02/89/671100289.db2.gz AYYSTGWHYKJWJX-CQDKDKBSSA-N 1 0 309.366 0.937 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000819368035 671115067 /nfs/dbraw/zinc/11/50/67/671115067.db2.gz CXLYEBYMSXFVJL-ZDUSSCGKSA-N 1 0 314.363 0.795 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000852743473 671154229 /nfs/dbraw/zinc/15/42/29/671154229.db2.gz YTSKVZOQDTWWBZ-OAHLLOKOSA-N 1 0 306.366 0.705 20 5 DCBDRO [NH3+]C[C@H]1CC(C(=O)NCCNc2ccccc2[N+](=O)[O-])=NO1 ZINC000852805159 671162541 /nfs/dbraw/zinc/16/25/41/671162541.db2.gz QWIYPYUSLHMQOK-SECBINFHSA-N 1 0 307.310 0.227 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000827598739 671533452 /nfs/dbraw/zinc/53/34/52/671533452.db2.gz UGACGCDBJGMBCT-HUUCEWRRSA-N 1 0 321.381 0.900 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830865331 671644399 /nfs/dbraw/zinc/64/43/99/671644399.db2.gz MDPBAUDZYHZLGN-BNOWGMLFSA-N 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Cn1cc(C[C@@H](CO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843115084 672063713 /nfs/dbraw/zinc/06/37/13/672063713.db2.gz KDNBSRRBEZLROQ-ZFWWWQNUSA-N 1 0 320.349 0.555 20 5 DCBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)n1C ZINC000843221866 672071581 /nfs/dbraw/zinc/07/15/81/672071581.db2.gz MVKOFICREMYQQZ-MRVPVSSYSA-N 1 0 324.366 0.934 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000892560921 685427238 /nfs/dbraw/zinc/42/72/38/685427238.db2.gz JPFJYJAUYFMSGJ-LBPRGKRZSA-N 1 0 308.386 0.545 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CC1CCOCC1)C2 ZINC001072725139 694657179 /nfs/dbraw/zinc/65/71/79/694657179.db2.gz IRQLFNIYOWIXTQ-ZIAGYGMSSA-N 1 0 323.393 0.613 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC001569182095 1160968068 /nfs/dbraw/zinc/96/80/68/1160968068.db2.gz QNCFXYMMUIOCND-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO COC(=O)COc1ccc(CN[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001573922573 1163588353 /nfs/dbraw/zinc/58/83/53/1163588353.db2.gz YDOUVQQBLVFPNW-HNNXBMFYSA-N 1 0 323.349 0.988 20 5 DCBDRO C[C@]([NH3+])(C(=O)NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC001576082004 1164234248 /nfs/dbraw/zinc/23/42/48/1164234248.db2.gz RNSATDWTWKFIAD-TZMCWYRMSA-N 1 0 309.322 0.300 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001576149999 1164253743 /nfs/dbraw/zinc/25/37/43/1164253743.db2.gz QURMQSFDPFAITF-SNVBAGLBSA-N 1 0 318.337 0.654 20 5 DCBDRO C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[NH2+]CCO1 ZINC001576251515 1164279758 /nfs/dbraw/zinc/27/97/58/1164279758.db2.gz MFFWIKNTXZPMNE-NOZJJQNGSA-N 1 0 305.338 0.938 20 5 DCBDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001576608509 1164412124 /nfs/dbraw/zinc/41/21/24/1164412124.db2.gz SWSGOAPGOLFYDG-GXSJLCMTSA-N 1 0 307.306 0.734 20 5 DCBDRO CN(C[C@H](O)C[NH3+])C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001578442238 1165018835 /nfs/dbraw/zinc/01/88/35/1165018835.db2.gz QBHYYRPCIBBJJQ-SNVBAGLBSA-N 1 0 313.329 0.790 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001578760921 1165097769 /nfs/dbraw/zinc/09/77/69/1165097769.db2.gz XSASLEXBNRZHRQ-OAHLLOKOSA-N 1 0 320.349 0.841 20 5 DCBDRO COC(=O)/C=C\c1ccc(NC[C@@]2(O)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001578795624 1165114366 /nfs/dbraw/zinc/11/43/66/1165114366.db2.gz AYGPWFVEZRFKRM-UYWPIULCSA-N 1 0 321.333 0.917 20 5 DCBDRO COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC12C[NH2+]C2 ZINC001578796415 1165115845 /nfs/dbraw/zinc/11/58/45/1165115845.db2.gz WAVPKELKQSLZRM-LBPRGKRZSA-N 1 0 319.317 0.429 20 5 DCBDRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001579119104 1165214731 /nfs/dbraw/zinc/21/47/31/1165214731.db2.gz AELYOKHRAHLCEZ-ZIAGYGMSSA-N 1 0 322.365 0.766 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC([NH2+]CCO)CC2)n1 ZINC001579642411 1165370868 /nfs/dbraw/zinc/37/08/68/1165370868.db2.gz DXJPKEFXJZVYGI-UHFFFAOYSA-N 1 0 308.338 0.485 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001579877672 1165420198 /nfs/dbraw/zinc/42/01/98/1165420198.db2.gz XQKORGKXZJYMQP-RISCZKNCSA-N 1 0 307.354 0.830 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)n1 ZINC001579970145 1165455463 /nfs/dbraw/zinc/45/54/63/1165455463.db2.gz POTBXYPIXGLTAF-NWDGAFQWSA-N 1 0 315.333 0.814 20 5 DCBDRO [NH3+]C1(CC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)COC1 ZINC001580140598 1165517725 /nfs/dbraw/zinc/51/77/25/1165517725.db2.gz GEYUPPJHIYMPCI-UHFFFAOYSA-N 1 0 320.349 0.361 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)C1 ZINC001580198455 1165535172 /nfs/dbraw/zinc/53/51/72/1165535172.db2.gz HGVFINWYKUTGCB-CKYFFXLPSA-N 1 0 323.353 0.676 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001580840727 1165733066 /nfs/dbraw/zinc/73/30/66/1165733066.db2.gz QNYCKCIULBJWDN-BYPUDFOVSA-N 1 0 316.317 0.604 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(CC[NH+]2CCCC2)CC1 ZINC001587404619 1166507378 /nfs/dbraw/zinc/50/73/78/1166507378.db2.gz HHLLAMNCZYCAJP-UHFFFAOYSA-N 1 0 322.369 0.172 20 5 DCBDRO C[C@H](CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-])[NH+](C)C ZINC001589833061 1166694484 /nfs/dbraw/zinc/69/44/84/1166694484.db2.gz IAKIAJXXZUKNIN-MRVPVSSYSA-N 1 0 306.330 0.922 20 5 DCBDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591472112 1167301794 /nfs/dbraw/zinc/30/17/94/1167301794.db2.gz QWXFSTCVTNIHFL-CMPLNLGQSA-N 1 0 320.309 0.278 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC001593467421 1167858153 /nfs/dbraw/zinc/85/81/53/1167858153.db2.gz QDFCKOPRGYRZRF-NSHDSACASA-N 1 0 304.310 0.732 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC001596048201 1167986778 /nfs/dbraw/zinc/98/67/78/1167986778.db2.gz UPMZWVPHZCNVHU-UHFFFAOYSA-N 1 0 306.322 0.730 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC001598296764 1168019217 /nfs/dbraw/zinc/01/92/17/1168019217.db2.gz IZXTXWAASJJFEM-YGRLFVJLSA-N 1 0 305.338 0.596 20 5 DCBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603834347 1169408941 /nfs/dbraw/zinc/40/89/41/1169408941.db2.gz JTOWBUVERNLOQC-NXEZZACHSA-N 1 0 318.337 0.978 20 5 DCBDRO C[NH+](C)CC1CN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)C1 ZINC001604679912 1169652741 /nfs/dbraw/zinc/65/27/41/1169652741.db2.gz DBKKQGMGJYTIQQ-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604856504 1169713730 /nfs/dbraw/zinc/71/37/30/1169713730.db2.gz ZEXXWQGGRXWOIE-CYBMUJFWSA-N 1 0 319.325 0.253 20 5 DCBDRO C[C@@H]1CN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001605445116 1169922926 /nfs/dbraw/zinc/92/29/26/1169922926.db2.gz GEADHYUYKWGUGB-DTORHVGOSA-N 1 0 303.326 0.962 20 5 DCBDRO O=[N+]([O-])c1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1-c1nn[nH]n1 ZINC001607078888 1170382083 /nfs/dbraw/zinc/38/20/83/1170382083.db2.gz QWSNEAPRPNVYPX-DTORHVGOSA-N 1 0 301.310 0.431 20 5 DCBDRO CC[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001609202610 1170866682 /nfs/dbraw/zinc/86/66/82/1170866682.db2.gz MFAFNZKLFAVILF-ZANVPECISA-N 1 0 318.337 0.978 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C1C[NH+](C2CCOCC2)C1 ZINC001622414730 1171424006 /nfs/dbraw/zinc/42/40/06/1171424006.db2.gz PXSXXURZXQJQOO-UHFFFAOYSA-N 1 0 323.353 0.018 20 5 DCBDRO C[N@H+]1CC=C(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001623939307 1171446746 /nfs/dbraw/zinc/44/67/46/1171446746.db2.gz PFUKAJNQCXUCGV-UHFFFAOYSA-N 1 0 306.322 0.135 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001628764008 1171535463 /nfs/dbraw/zinc/53/54/63/1171535463.db2.gz PVYSHTSCJSOLAH-XHDPSFHLSA-N 1 0 322.365 0.578 20 5 DCBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001632942541 1171628118 /nfs/dbraw/zinc/62/81/18/1171628118.db2.gz DUPBXBWHVDOARO-UHFFFAOYSA-N 1 0 307.354 0.986 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001635942443 1171717422 /nfs/dbraw/zinc/71/74/22/1171717422.db2.gz TXUJWBXVTOGAJU-LBPRGKRZSA-N 1 0 305.334 0.727 20 5 DCBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001638739474 1171807966 /nfs/dbraw/zinc/80/79/66/1171807966.db2.gz MZWKLEJNGOJWAZ-GFCCVEGCSA-N 1 0 322.365 0.605 20 5 DCBDRO COC(=O)c1ccnc(NC[C@@H]2CSCC[NH2+]2)c1[N+](=O)[O-] ZINC001640350575 1171878460 /nfs/dbraw/zinc/87/84/60/1171878460.db2.gz KDNPIMLBMOFRHL-MRVPVSSYSA-N 1 0 312.351 0.893 20 5 DCBDRO COC(=O)[C@@]1(O)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001644291445 1172002215 /nfs/dbraw/zinc/00/22/15/1172002215.db2.gz HDASIFONVOXIEP-GXTWGEPZSA-N 1 0 310.306 0.238 20 5 DCBDRO C[NH+]1CCC2(CCN2C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001647973934 1173063581 /nfs/dbraw/zinc/06/35/81/1173063581.db2.gz PLKVPYXMCYSIFH-UHFFFAOYSA-N 1 0 305.338 0.882 20 5 DCBDRO O=C(N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001650739567 1173730823 /nfs/dbraw/zinc/73/08/23/1173730823.db2.gz NOKLUGVTEOBVTP-ZYHUDNBSSA-N 1 0 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ZINC001717150203 1182697352 /nfs/dbraw/zinc/69/73/52/1182697352.db2.gz RZBSZJJATUJZTQ-VXGBXAGGSA-N 1 0 308.338 0.777 20 5 DCBDRO Cc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732848378 1186011670 /nfs/dbraw/zinc/01/16/70/1186011670.db2.gz LCPPLXZQVWXDQD-GWSUEFFPSA-N 1 0 304.350 0.817 20 5 DCBDRO COc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001753188100 1188527899 /nfs/dbraw/zinc/52/78/99/1188527899.db2.gz JDJTZGAANYUQPL-VXGBXAGGSA-N 1 0 308.338 0.303 20 5 DCBDRO Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)s1 ZINC001754514129 1188872607 /nfs/dbraw/zinc/87/26/07/1188872607.db2.gz RAVLRQVPLJWGSN-GHMZBOCLSA-N 1 0 310.379 0.855 20 5 DCBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCN4CC[NH2+]C[C@@H]4C3)nc21 ZINC001164398459 718836115 /nfs/dbraw/zinc/83/61/15/718836115.db2.gz FUXBFVSSCQKIJN-SNVBAGLBSA-N 1 0 302.338 0.565 20 5 DCBDRO O=C(Cc1cc[nH]n1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125141091 751820324 /nfs/dbraw/zinc/82/03/24/751820324.db2.gz FTTHVAJYYUDWKB-UHFFFAOYSA-N 1 0 309.351 0.828 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3OCC[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001167219245 747023792 /nfs/dbraw/zinc/02/37/92/747023792.db2.gz BXLMMWWHHXUCFD-SKDRFNHKSA-N 1 0 305.338 0.687 20 5 DCBDRO N=c1cc(CN)ncn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001167354674 747127469 /nfs/dbraw/zinc/12/74/69/747127469.db2.gz CAGLWSSQOVCUAK-UHFFFAOYSA-N 1 0 303.307 0.723 20 5 DCBDRO Cn1oc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1=O ZINC001126292354 748386437 /nfs/dbraw/zinc/38/64/37/748386437.db2.gz RHFXPJOVRCNHIK-UHFFFAOYSA-N 1 0 320.305 0.406 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CC(C)(C)O ZINC001157292216 761928339 /nfs/dbraw/zinc/92/83/39/761928339.db2.gz XLGBBAJLZKEQMQ-UHFFFAOYSA-N 1 0 313.358 0.085 20 5 DCBDRO CCn1nncc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126728243 749677484 /nfs/dbraw/zinc/67/74/84/749677484.db2.gz WZDJGRABPIXXHF-UHFFFAOYSA-N 1 0 318.337 0.726 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc2nonc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936280 750148210 /nfs/dbraw/zinc/14/82/10/750148210.db2.gz DUNFDHBTKUQCRM-BXKDBHETSA-N 1 0 305.294 0.094 20 5 DCBDRO Cc1nn(C(C)C)cc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939254 750151757 /nfs/dbraw/zinc/15/17/57/750151757.db2.gz URWXWNQXYLDUKL-CHWSQXEVSA-N 1 0 309.370 0.643 20 5 DCBDRO Cc1ccccc1NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942635 750154668 /nfs/dbraw/zinc/15/46/68/750154668.db2.gz CSHOLWACLGALKL-DGCLKSJQSA-N 1 0 320.349 0.305 20 5 DCBDRO NC(=O)C1(O)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001170230739 762582845 /nfs/dbraw/zinc/58/28/45/762582845.db2.gz GOGCYZVHDVOIOY-UHFFFAOYSA-N 1 0 309.322 0.286 20 5 DCBDRO [NH3+]Cc1cccc(-c2nnn(-c3c[n+]([O-])ccc3[N+](=O)[O-])n2)c1 ZINC001168884239 760500006 /nfs/dbraw/zinc/50/00/06/760500006.db2.gz GRAIGVZWNAQYCT-UHFFFAOYSA-N 1 0 313.277 0.330 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCN(c3ncc(O)cn3)CC2)C1 ZINC001169042116 760556691 /nfs/dbraw/zinc/55/66/91/760556691.db2.gz CYJMDWSZOJESSX-NEPJUHHUSA-N 1 0 307.354 0.750 20 5 DCBDRO O=C1COCCN1C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169047933 760562457 /nfs/dbraw/zinc/56/24/57/760562457.db2.gz STEHEFLJMATMHP-GXTWGEPZSA-N 1 0 311.382 0.755 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cccc2ncc([N+](=O)[O-])n21 ZINC001169075427 760574942 /nfs/dbraw/zinc/57/49/42/760574942.db2.gz GVLZCMLZDAIPJO-SECBINFHSA-N 1 0 302.294 0.290 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001156825612 761493290 /nfs/dbraw/zinc/49/32/90/761493290.db2.gz SZRZJXBAZRFQMC-UHFFFAOYSA-N 1 0 305.254 0.330 20 5 DCBDRO [NH3+]Cc1ccc2nnn(-c3cc([N+](=O)[O-])c4nncn4c3)c2c1 ZINC001170024153 761571716 /nfs/dbraw/zinc/57/17/16/761571716.db2.gz NUXHXBKPHOCIEC-UHFFFAOYSA-N 1 0 310.277 0.830 20 5 DCBDRO Cc1c(F)cnc(NCCOCCOCC[NH3+])c1[N+](=O)[O-] ZINC001170505331 763389451 /nfs/dbraw/zinc/38/94/51/763389451.db2.gz KVMUZZPSVUEOJF-UHFFFAOYSA-N 1 0 302.306 0.841 20 5 DCBDRO COc1cc(C)nc(-n2cncc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001158204647 763626528 /nfs/dbraw/zinc/62/65/28/763626528.db2.gz SMELCYPKBXTZKZ-SECBINFHSA-N 1 0 307.310 0.355 20 5 DCBDRO COc1cc2ncnc(-n3nncc3C[NH3+])c2cc1[N+](=O)[O-] ZINC001158423473 763888573 /nfs/dbraw/zinc/88/85/73/763888573.db2.gz TWLSHYDGNXFMQY-UHFFFAOYSA-N 1 0 301.266 0.586 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1csnn1 ZINC001131972316 764153353 /nfs/dbraw/zinc/15/33/53/764153353.db2.gz JUSQATLPIYTESR-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1csnn1 ZINC001131972447 764154112 /nfs/dbraw/zinc/15/41/12/764154112.db2.gz MYXAGOJKTDKZKP-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001134085742 765335709 /nfs/dbraw/zinc/33/57/09/765335709.db2.gz VLFJGEAOVNSZTH-LBPRGKRZSA-N 1 0 323.353 0.161 20 5 DCBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170776628 765708015 /nfs/dbraw/zinc/70/80/15/765708015.db2.gz BINIGCKFKDDENA-KOLCDFICSA-N 1 0 309.322 0.764 20 5 DCBDRO C[NH+]1CCC(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001116342880 765862521 /nfs/dbraw/zinc/86/25/21/765862521.db2.gz TVYAUWKTEGXOSI-UHFFFAOYSA-N 1 0 308.338 0.215 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC001118709118 766411945 /nfs/dbraw/zinc/41/19/45/766411945.db2.gz ZHJCBSXMYLOSQL-UHFFFAOYSA-N 1 0 321.381 0.253 20 5 DCBDRO CCOC(=O)[C@@H](C)CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160891370 767380117 /nfs/dbraw/zinc/38/01/17/767380117.db2.gz CLJDOGKOZJXEBY-QMMMGPOBSA-N 1 0 309.326 0.683 20 5 DCBDRO O=C(Cc1nc[nH]n1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147271711 767702002 /nfs/dbraw/zinc/70/20/02/767702002.db2.gz OGORFEZKLJCJAD-UHFFFAOYSA-N 1 0 304.310 0.161 20 5 DCBDRO CC(C)OCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147505981 767763876 /nfs/dbraw/zinc/76/38/76/767763876.db2.gz CHYVVLOMUZBAMH-CHWSQXEVSA-N 1 0 311.382 0.611 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCOCC1CC1)C2 ZINC001147505976 767764460 /nfs/dbraw/zinc/76/44/60/767764460.db2.gz CEJZSSFUZADLNF-ZIAGYGMSSA-N 1 0 323.393 0.613 20 5 DCBDRO O=C(C[NH+]1CCCC1)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093652694 768672009 /nfs/dbraw/zinc/67/20/09/768672009.db2.gz VGDAZUYYWSSQCO-UHFFFAOYSA-N 1 0 311.317 0.753 20 5 DCBDRO [NH3+]Cc1nccnc1Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001171448081 769104517 /nfs/dbraw/zinc/10/45/17/769104517.db2.gz CBWCMQGQQAXWLH-UHFFFAOYSA-N 1 0 300.278 0.831 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2=NO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001212628617 769386387 /nfs/dbraw/zinc/38/63/87/769386387.db2.gz DENHAUDDWPQGQW-POYBYMJQSA-N 1 0 320.240 0.501 20 5 DCBDRO O=C1CO[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172912329 769521299 /nfs/dbraw/zinc/52/12/99/769521299.db2.gz NELZHOJMYLVQSX-UKRRQHHQSA-N 1 0 319.361 0.947 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)NCC(N)=O ZINC001173224152 769566313 /nfs/dbraw/zinc/56/63/13/769566313.db2.gz MLPQOXJFSFOHNV-ZJUUUORDSA-N 1 0 308.338 0.105 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001154747017 770282718 /nfs/dbraw/zinc/28/27/18/770282718.db2.gz FGBAPGVCUFDJIW-JTQLQIEISA-N 1 0 323.353 0.482 20 5 DCBDRO Nc1cc(NCc2nnn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001155397331 770491362 /nfs/dbraw/zinc/49/13/62/770491362.db2.gz HNUZHWZTQZFXAK-UHFFFAOYSA-N 1 0 304.314 0.269 20 5 DCBDRO CN(C)/C=C/c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)ncc1[N+](=O)[O-] ZINC001155509564 770528972 /nfs/dbraw/zinc/52/89/72/770528972.db2.gz AVYCNSWCOBEWIU-ZUEAMBOYSA-N 1 0 319.365 0.921 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155527865 770536384 /nfs/dbraw/zinc/53/63/84/770536384.db2.gz RWAJNYOSWXMXJC-NQBHXWOUSA-N 1 0 308.338 0.573 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCCNc2cc[nH+]cc2)n1 ZINC001182434119 771481140 /nfs/dbraw/zinc/48/11/40/771481140.db2.gz OWADSJKTMSTGTJ-UHFFFAOYSA-N 1 0 301.306 0.957 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@H]2C)n1 ZINC001157748236 771663416 /nfs/dbraw/zinc/66/34/16/771663416.db2.gz UCNPDCVUYLTTOF-SCZZXKLOSA-N 1 0 308.342 0.968 20 5 DCBDRO CCS(=O)(=O)N(c1cc([N+](=O)[O-])ccn1)C1CC[NH2+]CC1 ZINC001157892121 771687846 /nfs/dbraw/zinc/68/78/46/771687846.db2.gz IXJIXFPPDSXMAJ-UHFFFAOYSA-N 1 0 314.367 0.898 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001158638583 771799182 /nfs/dbraw/zinc/79/91/82/771799182.db2.gz STNOSTUNPRSDJS-SMDDNHRTSA-N 1 0 324.312 0.860 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001158640560 771799871 /nfs/dbraw/zinc/79/98/71/771799871.db2.gz HAQWWNHRBKJXTL-BXUZGUMPSA-N 1 0 321.337 0.303 20 5 DCBDRO Cc1nc2c(o1)CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001158835589 771825595 /nfs/dbraw/zinc/82/55/95/771825595.db2.gz JCHGPNXUXYJDJP-UHFFFAOYSA-N 1 0 316.321 0.931 20 5 DCBDRO COc1ncnc(-n2nnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001159029392 771849595 /nfs/dbraw/zinc/84/95/95/771849595.db2.gz QHIPTAJTUUVUJS-UHFFFAOYSA-N 1 0 301.266 0.586 20 5 DCBDRO CCOC(=O)c1ccnc(NCCN(C)CC[NH3+])c1[N+](=O)[O-] ZINC001159442751 771910553 /nfs/dbraw/zinc/91/05/53/771910553.db2.gz BOOOYSHUCHKGHS-UHFFFAOYSA-N 1 0 311.342 0.469 20 5 DCBDRO COc1cc(C)nc(NCCOCCOCC[NH3+])c1[N+](=O)[O-] ZINC001159444507 771911118 /nfs/dbraw/zinc/91/11/18/771911118.db2.gz IBCROFLRAWOIBF-UHFFFAOYSA-N 1 0 314.342 0.711 20 5 DCBDRO COC(=O)c1ccnc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159497218 771919418 /nfs/dbraw/zinc/91/94/18/771919418.db2.gz HESOZBRVYRGXNB-WPRPVWTQSA-N 1 0 310.310 0.565 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncc(Cl)cc1[N+](=O)[O-] ZINC001159860952 771969707 /nfs/dbraw/zinc/96/97/07/771969707.db2.gz KEHBYMJJDYYTNR-UHFFFAOYSA-N 1 0 302.718 0.971 20 5 DCBDRO CCOCC[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001160090414 771996957 /nfs/dbraw/zinc/99/69/57/771996957.db2.gz FOHSEDALFUHOCY-ZIAGYGMSSA-N 1 0 311.382 0.827 20 5 DCBDRO [NH3+]CCN(CCNc1cc([N+](=O)[O-])c2cc[nH]c2n1)N(O)N=O ZINC001161092497 772166940 /nfs/dbraw/zinc/16/69/40/772166940.db2.gz RQZSMPKPSHDMGX-UHFFFAOYSA-N 1 0 324.301 0.431 20 5 DCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001162618420 772398770 /nfs/dbraw/zinc/39/87/70/772398770.db2.gz AXGCRBTTYUATKW-NSHDSACASA-N 1 0 323.353 0.413 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@H]21 ZINC001162789683 772418538 /nfs/dbraw/zinc/41/85/38/772418538.db2.gz KBVMYLBTXRMZAA-XXILOJSOSA-N 1 0 304.306 0.962 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001162914747 772431201 /nfs/dbraw/zinc/43/12/01/772431201.db2.gz OWGMDMXKTAMBFT-AOOOYVTPSA-N 1 0 305.338 0.929 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001162967925 772436887 /nfs/dbraw/zinc/43/68/87/772436887.db2.gz WIFAIEKUPWXIKH-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163204292 772481873 /nfs/dbraw/zinc/48/18/73/772481873.db2.gz ZPPSTRNQJOPIBH-AMIZOPFISA-N 1 0 308.294 0.319 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncnc3sc([N+](=O)[O-])cc32)N1 ZINC001163239389 772487263 /nfs/dbraw/zinc/48/72/63/772487263.db2.gz FMBPSYIZKSICHK-MADCSZMMSA-N 1 0 320.334 0.590 20 5 DCBDRO CN1Cc2cc(N[C@@]34CC[NH2+][C@@H]3CC(=O)N4)cc([N+](=O)[O-])c2N1 ZINC001163254998 772494413 /nfs/dbraw/zinc/49/44/13/772494413.db2.gz RGIRPGKOVBZONK-BXUZGUMPSA-N 1 0 318.337 0.357 20 5 DCBDRO COC(=O)c1cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc([N+](=O)[O-])c1 ZINC001163343300 772509788 /nfs/dbraw/zinc/50/97/88/772509788.db2.gz UGOMZYZKOCSUTC-AGIUHOORSA-N 1 0 307.306 0.923 20 5 DCBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1cc(OC)c([N+](=O)[O-])cn1 ZINC001163439224 772524925 /nfs/dbraw/zinc/52/49/25/772524925.db2.gz UTGSRNGNCFWOHL-VIFPVBQESA-N 1 0 311.342 0.654 20 5 DCBDRO Cc1n[nH]cc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001163671421 772556389 /nfs/dbraw/zinc/55/63/89/772556389.db2.gz DYGFBTDPXCMTDJ-UHFFFAOYSA-N 1 0 321.341 0.270 20 5 DCBDRO [NH3+]CCN(CCO)c1ccc(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001163829784 772578782 /nfs/dbraw/zinc/57/87/82/772578782.db2.gz CKWWVWGPMMWVKH-UHFFFAOYSA-N 1 0 303.322 0.809 20 5 DCBDRO COc1nc(-n2cnc3c2C[NH2+]CC3)nc(OC)c1[N+](=O)[O-] ZINC001164314003 772644892 /nfs/dbraw/zinc/64/48/92/772644892.db2.gz YSAKSYJRRCDNEK-UHFFFAOYSA-N 1 0 306.282 0.233 20 5 DCBDRO CCN(CC)C(=O)[C@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001164610402 772688422 /nfs/dbraw/zinc/68/84/22/772688422.db2.gz PJARKDDJAKXPTK-VIFPVBQESA-N 1 0 322.369 0.740 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC001165144768 772700746 /nfs/dbraw/zinc/70/07/46/772700746.db2.gz JXACKCVLYBJYIE-UWVGGRQHSA-N 1 0 306.322 0.774 20 5 DCBDRO C[N@H+](C1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165203790 772703738 /nfs/dbraw/zinc/70/37/38/772703738.db2.gz GLIOMVLEDULCDE-SECBINFHSA-N 1 0 323.309 0.807 20 5 DCBDRO C[N@H+](C1CN(c2nc(Cl)ncc2[N+](=O)[O-])C1)[C@@H]1CCOC1 ZINC001165204045 772704812 /nfs/dbraw/zinc/70/48/12/772704812.db2.gz SCLVQVWZMRLFMI-MRVPVSSYSA-N 1 0 313.745 0.948 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001165269066 772713782 /nfs/dbraw/zinc/71/37/82/772713782.db2.gz BWXIJOLJIWLYKM-RYUDHWBXSA-N 1 0 322.321 0.344 20 5 DCBDRO COc1cc(C)nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC001165284081 772717314 /nfs/dbraw/zinc/71/73/14/772717314.db2.gz SGGLPWFOVMNKMG-YGRLFVJLSA-N 1 0 308.338 0.325 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001165343526 772725251 /nfs/dbraw/zinc/72/52/51/772725251.db2.gz GIOQVWWIPYSGMS-OAHLLOKOSA-N 1 0 322.365 0.884 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001165441319 772738685 /nfs/dbraw/zinc/73/86/85/772738685.db2.gz CLFTYVUJINVITQ-SNVBAGLBSA-N 1 0 305.294 0.422 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001165443536 772739512 /nfs/dbraw/zinc/73/95/12/772739512.db2.gz XTUQXBIXMDVFLF-LLVKDONJSA-N 1 0 317.305 0.489 20 5 DCBDRO COCc1nn(-c2cc(OC)c([N+](=O)[O-])cn2)c2c1C[NH2+]C2 ZINC001165631532 772750987 /nfs/dbraw/zinc/75/09/87/772750987.db2.gz BGPWJFLGNCATMJ-UHFFFAOYSA-N 1 0 305.294 0.934 20 5 DCBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001166699938 772843701 /nfs/dbraw/zinc/84/37/01/772843701.db2.gz DRZXYFOYLACJFS-JTQLQIEISA-N 1 0 302.294 0.318 20 5 DCBDRO CNC(=O)N[C@@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001193198972 773023168 /nfs/dbraw/zinc/02/31/68/773023168.db2.gz ZTSBWWIUBVXLJD-YPMHNXCESA-N 1 0 308.338 0.632 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN1C ZINC001195136357 773334103 /nfs/dbraw/zinc/33/41/03/773334103.db2.gz IZAKOTGQXVCSRA-JTQLQIEISA-N 1 0 315.351 0.586 20 5 DCBDRO COC[C@](C)(CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001196869604 773661546 /nfs/dbraw/zinc/66/15/46/773661546.db2.gz NRAOLPZWXZEGGO-AWEZNQCLSA-N 1 0 311.338 0.910 20 5 DCBDRO C[N@@H+]1CCN[C@@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001211457652 773807492 /nfs/dbraw/zinc/80/74/92/773807492.db2.gz SVZQPPRFZFVFHS-MRVPVSSYSA-N 1 0 308.273 0.755 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[C@H]([NH3+])CN1 ZINC001218859442 774316850 /nfs/dbraw/zinc/31/68/50/774316850.db2.gz NFIPCGRXQHXRJS-FVMDXXJSSA-N 1 0 322.372 0.993 20 5 DCBDRO COC(=O)c1ccoc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223066734 775460036 /nfs/dbraw/zinc/46/00/36/775460036.db2.gz ZLECHXCLNIAGDQ-SNVBAGLBSA-N 1 0 300.331 0.567 20 5 DCBDRO COC(=O)c1cc(O)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225965729 775748468 /nfs/dbraw/zinc/74/84/68/775748468.db2.gz DCAJXVIMEIIDKF-LLVKDONJSA-O 1 0 312.342 0.541 20 5 DCBDRO CCC(=O)NCC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001267188410 939378093 /nfs/dbraw/zinc/37/80/93/939378093.db2.gz JDNVNNSGYJKBLH-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO Cc1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001268540072 940223723 /nfs/dbraw/zinc/22/37/23/940223723.db2.gz BJIMEVCXVHUXSU-JDEDCZITSA-N 1 0 310.379 0.879 20 5 DCBDRO CCOC(=O)C1(C(=O)OCC)CC(OCC[N+](C)(C)C)C1 ZINC001224775245 942192398 /nfs/dbraw/zinc/19/23/98/942192398.db2.gz KCXYWSLCOOEYPD-UHFFFAOYSA-N 1 0 302.391 0.984 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCNC[C@@]13CC[NH2+]C3)C2 ZINC001246626595 945446715 /nfs/dbraw/zinc/44/67/15/945446715.db2.gz SMPVAOUYPIQJOU-HOTGVXAUSA-N 1 0 302.378 0.699 20 5 DCBDRO [NH3+]CCNC(=O)/C=C/c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247639523 945565132 /nfs/dbraw/zinc/56/51/32/945565132.db2.gz WPQNXENHFUPIDO-OWOJBTEDSA-N 1 0 322.256 0.267 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2=NOC3(C[NH2+]C3)C2)n1 ZINC001247881287 945580883 /nfs/dbraw/zinc/58/08/83/945580883.db2.gz YXMYPKVCBQXPOP-UHFFFAOYSA-N 1 0 320.240 0.645 20 5 DCBDRO CC(=O)NCC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001323383923 947060452 /nfs/dbraw/zinc/06/04/52/947060452.db2.gz XBECVFJRYGFFQE-UHFFFAOYSA-N 1 0 320.349 0.469 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccnn1CC[NH+](C)C ZINC001261251266 947230169 /nfs/dbraw/zinc/23/01/69/947230169.db2.gz RFVZGDOSJOHLSA-UHFFFAOYSA-N 1 0 307.314 0.339 20 5 DCBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001324265818 947371804 /nfs/dbraw/zinc/37/18/04/947371804.db2.gz IKPOELLJKACURB-GFCCVEGCSA-N 1 0 322.365 0.603 20 5 DCBDRO O=C(CCC[NH2+]CC[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC001262565763 947728811 /nfs/dbraw/zinc/72/88/11/947728811.db2.gz VUHQTOUQWUMGMZ-UHFFFAOYSA-N 1 0 320.393 0.982 20 5 DCBDRO COc1cc(C[NH2+]CCN2CCNC2=O)c([N+](=O)[O-])cc1O ZINC001179602923 947875307 /nfs/dbraw/zinc/87/53/07/947875307.db2.gz NIIXLBSTJDNMGH-UHFFFAOYSA-N 1 0 310.310 0.424 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC001325862103 947956558 /nfs/dbraw/zinc/95/65/58/947956558.db2.gz HMXQPBDQRLQYDA-ZWNOBZJWSA-N 1 0 314.363 0.653 20 5 DCBDRO [NH3+]CCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC001326822137 948291231 /nfs/dbraw/zinc/29/12/31/948291231.db2.gz WMIYZBAUAQZQLA-UHFFFAOYSA-N 1 0 300.702 0.053 20 5 DCBDRO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001327002674 948360043 /nfs/dbraw/zinc/36/00/43/948360043.db2.gz KCKYCEQEPHKWSH-UONOGXRCSA-N 1 0 323.349 0.201 20 5 DCBDRO CN(C)c1cc[nH+]c(CNC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC001462783886 1013089224 /nfs/dbraw/zinc/08/92/24/1013089224.db2.gz KJZCTRUQWOWLID-UHFFFAOYSA-N 1 0 304.310 0.569 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001329445990 949600285 /nfs/dbraw/zinc/60/02/85/949600285.db2.gz FDQBDYNZWHOWSX-MNOVXSKESA-N 1 0 322.365 0.886 20 5 DCBDRO Cc1noc(Cn2cnc3c(c2=O)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001329976914 950022455 /nfs/dbraw/zinc/02/24/55/950022455.db2.gz QPQQSZGDBCLPCJ-UHFFFAOYSA-N 1 0 305.294 0.184 20 5 DCBDRO CC(C)CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001490493366 950748864 /nfs/dbraw/zinc/74/88/64/950748864.db2.gz XSLASXDIRMJMRW-ZIAGYGMSSA-N 1 0 312.414 0.432 20 5 DCBDRO O=C(NCC1([NH2+]Cc2ccccn2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480260 950897895 /nfs/dbraw/zinc/89/78/95/950897895.db2.gz HQKBRFDPHPCLTQ-CHWSQXEVSA-N 1 0 304.350 0.875 20 5 DCBDRO COc1c(O)ccc(CNC[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001333725560 952141484 /nfs/dbraw/zinc/14/14/84/952141484.db2.gz YOQJJMWZUGXOTM-LBPRGKRZSA-N 1 0 324.381 0.644 20 5 DCBDRO Cn1c(C(=O)NC[C@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC001333773078 952150370 /nfs/dbraw/zinc/15/03/70/952150370.db2.gz UWLXJFSMGLDCHV-MRVPVSSYSA-N 1 0 302.281 0.908 20 5 DCBDRO COCC(=O)Nc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC001337702643 952902673 /nfs/dbraw/zinc/90/26/73/952902673.db2.gz AWJHEYZQCHMYNB-UHFFFAOYSA-N 1 0 308.338 0.932 20 5 DCBDRO CN(CC1CC[NH2+]CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001342121651 953271220 /nfs/dbraw/zinc/27/12/20/953271220.db2.gz RBCBGHPBZVOHMX-UHFFFAOYSA-N 1 0 308.338 0.215 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCN(C)CC[N@@H+](C)CC1 ZINC001342311729 953283020 /nfs/dbraw/zinc/28/30/20/953283020.db2.gz ZYHUSEHVXDMYDO-UHFFFAOYSA-N 1 0 310.402 0.279 20 5 DCBDRO CC[N@@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@@H]1C ZINC001346935471 953984876 /nfs/dbraw/zinc/98/48/76/953984876.db2.gz JLQMUAJTEKLAML-NSHDSACASA-N 1 0 308.386 0.995 20 5 DCBDRO CN1CC(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC001347363649 954077918 /nfs/dbraw/zinc/07/79/18/954077918.db2.gz WGSPKTGZMQMIKD-UHFFFAOYSA-N 1 0 304.350 0.667 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001347428911 954090515 /nfs/dbraw/zinc/09/05/15/954090515.db2.gz MQRMMCOIYJOMRX-HNNXBMFYSA-N 1 0 322.365 0.775 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347704847 954152774 /nfs/dbraw/zinc/15/27/74/954152774.db2.gz NNKUSMIDYXQSDD-YGRLFVJLSA-N 1 0 319.365 0.963 20 5 DCBDRO [NH3+]CCCCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001347930382 954181261 /nfs/dbraw/zinc/18/12/61/954181261.db2.gz ICPBYPVIHZCBED-UHFFFAOYSA-N 1 0 309.326 0.571 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001348128484 954203035 /nfs/dbraw/zinc/20/30/35/954203035.db2.gz VQCFVCPPRPPFGP-QJPTWQEYSA-N 1 0 307.354 0.556 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[NH2+]CCC12CCC2 ZINC001349865906 954914803 /nfs/dbraw/zinc/91/48/03/954914803.db2.gz ZPBQKQVHFHRONL-UHFFFAOYSA-N 1 0 320.349 0.501 20 5 DCBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001463525093 1013140657 /nfs/dbraw/zinc/14/06/57/1013140657.db2.gz DFADZNVEQXZCDR-NXEZZACHSA-N 1 0 314.367 0.751 20 5 DCBDRO C[N@@H+]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472027622 956191380 /nfs/dbraw/zinc/19/13/80/956191380.db2.gz WNPSJPSJXOURLD-LBPRGKRZSA-N 1 0 308.338 0.213 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001302816176 960028989 /nfs/dbraw/zinc/02/89/89/960028989.db2.gz GHHWMUNCMIOBPJ-NSHDSACASA-N 1 0 317.733 0.110 20 5 DCBDRO COC(=O)c1ccnc(N2CC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001307189467 960144898 /nfs/dbraw/zinc/14/48/98/960144898.db2.gz HUMVSQIEXBMFAK-AWEZNQCLSA-N 1 0 324.337 0.279 20 5 DCBDRO C[N@@H+]1CCCN(CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001464900240 1015968085 /nfs/dbraw/zinc/96/80/85/1015968085.db2.gz UBHVJUAHGPRNPB-UHFFFAOYSA-N 1 0 310.358 0.075 20 5 DCBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001468241339 1016235302 /nfs/dbraw/zinc/23/53/02/1016235302.db2.gz HIAXQTDLCSSFNQ-UHFFFAOYSA-N 1 0 324.381 0.993 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)n1 ZINC001472548190 1016821250 /nfs/dbraw/zinc/82/12/50/1016821250.db2.gz VFVKVGFZLMOLFF-CQSZACIVSA-N 1 0 310.354 0.731 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCN3CCNC3=S)C2)c1 ZINC001474761286 1017034734 /nfs/dbraw/zinc/03/47/34/1017034734.db2.gz FMGBBEZWTCAEBH-UHFFFAOYSA-N 1 0 310.383 0.275 20 5 DCBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001457415420 1011706579 /nfs/dbraw/zinc/70/65/79/1011706579.db2.gz QFINPCRJUSMHHM-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO C[N@H+](CCNc1ncc(Cl)cc1[N+](=O)[O-])CCOCCO ZINC001458547217 1012210550 /nfs/dbraw/zinc/21/05/50/1012210550.db2.gz LMHBQRGPECTIKY-UHFFFAOYSA-N 1 0 318.761 0.996 20 5 DCBDRO COc1ccc(C(=O)CNC(=O)Cc2ncc[nH]2)cc1[N+](=O)[O-] ZINC001557900467 1012305245 /nfs/dbraw/zinc/30/52/45/1012305245.db2.gz OFZOBNKCVOSDHL-UHFFFAOYSA-N 1 0 318.289 0.868 20 5 DCBDRO COC[C@](C)(CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001560064629 1012439451 /nfs/dbraw/zinc/43/94/51/1012439451.db2.gz PRBYPSCCOMXZAC-HNNXBMFYSA-N 1 0 323.349 0.471 20 5 DCBDRO C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001540355094 1012449575 /nfs/dbraw/zinc/44/95/75/1012449575.db2.gz ZOBXZLSGTSAWJC-UHFFFAOYSA-N 1 0 319.325 0.252 20 5 DCBDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001521333898 1017348780 /nfs/dbraw/zinc/34/87/80/1017348780.db2.gz PRTGPEIBFRLAQE-HZMBPMFUSA-N 1 0 307.350 0.696 20 5 DCBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cn[nH]n1 ZINC001497415889 1018121021 /nfs/dbraw/zinc/12/10/21/1018121021.db2.gz PRAVIJQVPLTQGR-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000294692559 529567235 /nfs/dbraw/zinc/56/72/35/529567235.db2.gz AHLVJCYYSIRRPG-SECBINFHSA-N 1 0 304.310 0.643 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000133198861 290681267 /nfs/dbraw/zinc/68/12/67/290681267.db2.gz LUWJXSBQXQNZRR-SECBINFHSA-N 1 0 317.367 0.737 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000272809002 210211475 /nfs/dbraw/zinc/21/14/75/210211475.db2.gz IUUHZUFAAGXSOI-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330892570 529931239 /nfs/dbraw/zinc/93/12/39/529931239.db2.gz JBLNNEDFQLGZMH-LLVKDONJSA-N 1 0 310.358 0.519 20 5 DCBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000111304203 185578234 /nfs/dbraw/zinc/57/82/34/185578234.db2.gz WCLZXXMYNNFDKR-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C[NH+](C)C ZINC000287187133 219368847 /nfs/dbraw/zinc/36/88/47/219368847.db2.gz LYWGLFPVBTUANX-WDEREUQCSA-N 1 0 322.365 0.779 20 5 DCBDRO COC(=O)CCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180412480 199155432 /nfs/dbraw/zinc/15/54/32/199155432.db2.gz KTSLHIVWXKBJQR-SNVBAGLBSA-N 1 0 309.322 0.925 20 5 DCBDRO C[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1C[NH3+] ZINC000156913401 237055501 /nfs/dbraw/zinc/05/55/01/237055501.db2.gz HHYKCNTWJYWCFV-JQWIXIFHSA-N 1 0 308.338 0.342 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281172576 216128689 /nfs/dbraw/zinc/12/86/89/216128689.db2.gz MQEBYDSFXHHDOC-CQSZACIVSA-N 1 0 321.337 0.968 20 5 DCBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000566119038 291271652 /nfs/dbraw/zinc/27/16/52/291271652.db2.gz OUEXOJMHUMVCMT-TUAOUCFPSA-N 1 0 324.333 0.876 20 5 DCBDRO [NH3+]C1(CNCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000566244371 291287252 /nfs/dbraw/zinc/28/72/52/291287252.db2.gz LPEVZJPGECJEHN-UHFFFAOYSA-N 1 0 313.379 0.840 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496168 291308748 /nfs/dbraw/zinc/30/87/48/291308748.db2.gz PFBAHRYNBOLLFD-NEPJUHHUSA-N 1 0 320.349 0.217 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000422740466 240182489 /nfs/dbraw/zinc/18/24/89/240182489.db2.gz BWCSXNXMJTWSJM-LLVKDONJSA-N 1 0 306.322 0.111 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CNCCO2)n1 ZINC000423545533 240202812 /nfs/dbraw/zinc/20/28/12/240202812.db2.gz CXROHTYNQGUDNB-JHJVBQTASA-N 1 0 309.370 0.853 20 5 DCBDRO COc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000264758177 204134871 /nfs/dbraw/zinc/13/48/71/204134871.db2.gz NSZCIDKJGAPPKA-GFCCVEGCSA-N 1 0 322.365 0.579 20 5 DCBDRO COc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264769286 204142908 /nfs/dbraw/zinc/14/29/08/204142908.db2.gz VDIHAHXSMASALS-GFCCVEGCSA-N 1 0 322.365 0.579 20 5 DCBDRO O=C(C[C@@H]1C[NH2+]CCO1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572997737 291604341 /nfs/dbraw/zinc/60/43/41/291604341.db2.gz LPPKHOQUWNHBAI-CYBMUJFWSA-N 1 0 309.322 0.468 20 5 DCBDRO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1c([N+](=O)[O-])ncn1C ZINC000341131231 253348639 /nfs/dbraw/zinc/34/86/39/253348639.db2.gz TZGSBWURYHSCRW-UHFFFAOYSA-N 1 0 324.429 0.786 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000420436603 285138774 /nfs/dbraw/zinc/13/87/74/285138774.db2.gz BCZMEEPUJJVRRJ-JTQLQIEISA-N 1 0 321.305 0.870 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000346801704 254097338 /nfs/dbraw/zinc/09/73/38/254097338.db2.gz YLJCGVKAPMXMLR-SCZZXKLOSA-N 1 0 320.309 0.914 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351489078 254338968 /nfs/dbraw/zinc/33/89/68/254338968.db2.gz BYOWWIWUVPLVNC-LLVKDONJSA-N 1 0 324.312 0.883 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000289693709 221159401 /nfs/dbraw/zinc/15/94/01/221159401.db2.gz KBIUNJSTOJNPEE-STQMWFEESA-N 1 0 321.381 0.866 20 5 DCBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@H]1CCNC1=O ZINC000340225299 131230457 /nfs/dbraw/zinc/23/04/57/131230457.db2.gz IXIJDRXWVOOTBU-SKDRFNHKSA-N 1 0 306.322 0.742 20 5 DCBDRO O=C([C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000031946543 395709057 /nfs/dbraw/zinc/70/90/57/395709057.db2.gz QTHPNYMOLMLLBA-LBPRGKRZSA-N 1 0 319.365 0.638 20 5 DCBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193586897 395772728 /nfs/dbraw/zinc/77/27/28/395772728.db2.gz ABPJABGSZBUFGF-COPLHBTASA-N 1 0 323.349 0.449 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000052093292 395858811 /nfs/dbraw/zinc/85/88/11/395858811.db2.gz WZSXYOPQWXZLQE-QMMMGPOBSA-N 1 0 305.743 0.888 20 5 DCBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000271070381 395835383 /nfs/dbraw/zinc/83/53/83/395835383.db2.gz YBNHSYCMNPIYFZ-LLVKDONJSA-N 1 0 309.370 0.980 20 5 DCBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000108890285 395794431 /nfs/dbraw/zinc/79/44/31/395794431.db2.gz VJBQRHRMBSIGRD-SECBINFHSA-N 1 0 306.322 0.910 20 5 DCBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000124002577 395899152 /nfs/dbraw/zinc/89/91/52/395899152.db2.gz SZWQHXVHMPUSJQ-SMDDNHRTSA-N 1 0 322.365 0.842 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000237190721 395906314 /nfs/dbraw/zinc/90/63/14/395906314.db2.gz MELMBCOXXYMXAI-UHFFFAOYSA-N 1 0 308.338 0.238 20 5 DCBDRO COc1ccc(NC(=O)CC[N@H+](C)CC(N)=O)c([N+](=O)[O-])c1 ZINC000052831009 395871244 /nfs/dbraw/zinc/87/12/44/395871244.db2.gz ZJSSSVCQKZQSOX-UHFFFAOYSA-N 1 0 310.310 0.349 20 5 DCBDRO COc1cc(OCC(=O)N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000134954461 395936152 /nfs/dbraw/zinc/93/61/52/395936152.db2.gz BMOOMYJLOSXRAD-UHFFFAOYSA-N 1 0 309.322 0.755 20 5 DCBDRO CC[NH+](CC)CC(=O)N1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000058791937 395956117 /nfs/dbraw/zinc/95/61/17/395956117.db2.gz BYXZFWWBHLFALJ-UHFFFAOYSA-N 1 0 324.385 0.319 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000065780756 395996904 /nfs/dbraw/zinc/99/69/04/395996904.db2.gz WOEFGOCWLQIHCT-STQMWFEESA-N 1 0 307.354 0.924 20 5 DCBDRO COCC[N@@H+]1CC[C@H](Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000276933909 396037644 /nfs/dbraw/zinc/03/76/44/396037644.db2.gz SQRFPHWEHGBTQL-NSHDSACASA-N 1 0 324.337 0.909 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261706282 396058607 /nfs/dbraw/zinc/05/86/07/396058607.db2.gz FZMUTVUDYYMVRG-BETUJISGSA-N 1 0 321.381 0.948 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261705492 396058643 /nfs/dbraw/zinc/05/86/43/396058643.db2.gz OQSWVCBFFBLFPT-JTQLQIEISA-N 1 0 310.379 0.776 20 5 DCBDRO COC(=O)COc1ccc(CN2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000261764498 396063631 /nfs/dbraw/zinc/06/36/31/396063631.db2.gz DGZBIJBCMCNXMM-NSHDSACASA-N 1 0 323.349 0.940 20 5 DCBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000261782743 396064809 /nfs/dbraw/zinc/06/48/09/396064809.db2.gz PNAUTXKEGONCIZ-SNVBAGLBSA-N 1 0 305.342 0.208 20 5 DCBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261788790 396066700 /nfs/dbraw/zinc/06/67/00/396066700.db2.gz XOJCUFXNSPZPEQ-ZWKOPEQDSA-N 1 0 311.363 0.953 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCO1 ZINC000163149335 396085874 /nfs/dbraw/zinc/08/58/74/396085874.db2.gz QFZWAQDJDDVMLJ-HQJQHLMTSA-N 1 0 312.301 0.504 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000163306367 396086873 /nfs/dbraw/zinc/08/68/73/396086873.db2.gz JFRFBWNOIGOXRO-KOLCDFICSA-N 1 0 311.342 0.101 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000277988684 396099346 /nfs/dbraw/zinc/09/93/46/396099346.db2.gz GQEUXPVHFNQHSL-SKDRFNHKSA-N 1 0 306.322 0.862 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071310229 396112468 /nfs/dbraw/zinc/11/24/68/396112468.db2.gz SRRYISZZQFHIJU-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO Cn1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278306773 396118058 /nfs/dbraw/zinc/11/80/58/396118058.db2.gz DXDICZAVLNKUPK-KBPBESRZSA-N 1 0 318.333 0.533 20 5 DCBDRO [NH3+]CCCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262296647 396119421 /nfs/dbraw/zinc/11/94/21/396119421.db2.gz ZTSIUDGWZZXPTJ-UHFFFAOYSA-N 1 0 322.321 0.175 20 5 DCBDRO C[C@H]1C[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261906102 396077956 /nfs/dbraw/zinc/07/79/56/396077956.db2.gz XCLIIWUKFGXKHE-NSHDSACASA-N 1 0 304.350 0.778 20 5 DCBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000069469821 396079458 /nfs/dbraw/zinc/07/94/58/396079458.db2.gz QCFOKBVZGHGSSE-GFCCVEGCSA-N 1 0 309.370 0.948 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000262477255 396144493 /nfs/dbraw/zinc/14/44/93/396144493.db2.gz QNAAHCJNMZOKBH-SNVBAGLBSA-N 1 0 318.337 0.903 20 5 DCBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000279159811 396155390 /nfs/dbraw/zinc/15/53/90/396155390.db2.gz FUQZEVWNSRZFDH-JTQLQIEISA-N 1 0 323.353 0.643 20 5 DCBDRO C[C@H]1CCSCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279322870 396165965 /nfs/dbraw/zinc/16/59/65/396165965.db2.gz SMEUYUPFPFISEH-CMPLNLGQSA-N 1 0 300.384 0.980 20 5 DCBDRO CC[N@H+](CCC(=O)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075675998 396185572 /nfs/dbraw/zinc/18/55/72/396185572.db2.gz UCCSQFWTHRLHOD-LLVKDONJSA-N 1 0 300.315 0.037 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000178700671 396204846 /nfs/dbraw/zinc/20/48/46/396204846.db2.gz ARQMCHMWJDKQKA-QMMMGPOBSA-N 1 0 315.351 0.465 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000080880301 396287605 /nfs/dbraw/zinc/28/76/05/396287605.db2.gz LCSDZZJXSVFNSE-UHFFFAOYSA-N 1 0 323.349 0.790 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264544544 396288986 /nfs/dbraw/zinc/28/89/86/396288986.db2.gz BHYITQVFCKZWPR-GFCCVEGCSA-N 1 0 307.354 0.878 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000264680750 396302352 /nfs/dbraw/zinc/30/23/52/396302352.db2.gz ZWDPYBNAEACDSI-LLVKDONJSA-N 1 0 320.349 0.357 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185989140 396338206 /nfs/dbraw/zinc/33/82/06/396338206.db2.gz UPDRFUMDLDLNDE-LBPRGKRZSA-N 1 0 317.367 0.186 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047693 396382957 /nfs/dbraw/zinc/38/29/57/396382957.db2.gz PFOBWPLDRNJFGF-GXFFZTMASA-N 1 0 322.369 0.573 20 5 DCBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)N1 ZINC000192637931 396433774 /nfs/dbraw/zinc/43/37/74/396433774.db2.gz JSIMWHKQFKKAKV-AWEZNQCLSA-N 1 0 304.306 0.769 20 5 DCBDRO C[C@@H]([NH3+])Cn1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 ZINC000594655344 396494890 /nfs/dbraw/zinc/49/48/90/396494890.db2.gz KDNBLACXAVSICK-SECBINFHSA-N 1 0 319.325 0.855 20 5 DCBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000291551932 396498160 /nfs/dbraw/zinc/49/81/60/396498160.db2.gz MWMXKBKQGFDUOI-GFCCVEGCSA-N 1 0 324.381 0.993 20 5 DCBDRO COc1cc(C[NH2+]C[C@@]2(O)CCOC2)c([N+](=O)[O-])cc1OC ZINC000269978843 396457053 /nfs/dbraw/zinc/45/70/53/396457053.db2.gz MPRNNOYBXWZAMC-AWEZNQCLSA-N 1 0 312.322 0.853 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000594875976 396533355 /nfs/dbraw/zinc/53/33/55/396533355.db2.gz UOYIEMLKCYHSCN-SKDRFNHKSA-N 1 0 308.313 0.478 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000595054181 396546051 /nfs/dbraw/zinc/54/60/51/396546051.db2.gz ZAPNEDXMHDJMQH-CMPLNLGQSA-N 1 0 321.337 0.907 20 5 DCBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000581364884 396548439 /nfs/dbraw/zinc/54/84/39/396548439.db2.gz PURDOXOEOUUGBX-MNOVXSKESA-N 1 0 308.338 0.390 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC23CC[NH2+]CC3)nc1 ZINC000595112067 396550810 /nfs/dbraw/zinc/55/08/10/396550810.db2.gz RIYQPAFYIPCYES-SNVBAGLBSA-N 1 0 312.351 0.410 20 5 DCBDRO COc1cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)c([N+](=O)[O-])cc1O ZINC000292768247 396567514 /nfs/dbraw/zinc/56/75/14/396567514.db2.gz SLOBMKXGTPXGRO-MNOVXSKESA-N 1 0 312.322 0.939 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCC[NH+](C)C ZINC000589883104 396726810 /nfs/dbraw/zinc/72/68/10/396726810.db2.gz RGAWQTZIXDXHSL-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO [NH3+][C@H]1C[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000595951079 396692518 /nfs/dbraw/zinc/69/25/18/396692518.db2.gz WVBWYYYOYKTVPK-GMTAPVOTSA-N 1 0 305.338 0.740 20 5 DCBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588861852 396695668 /nfs/dbraw/zinc/69/56/68/396695668.db2.gz VSDNUKXGBFMSFU-KGLIPLIRSA-N 1 0 305.334 0.876 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000588863789 396696987 /nfs/dbraw/zinc/69/69/87/396696987.db2.gz OZJBYOQARXWQCD-SNVBAGLBSA-N 1 0 306.322 0.728 20 5 DCBDRO COc1cc(OCC(=O)N[C@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595992121 396704710 /nfs/dbraw/zinc/70/47/10/396704710.db2.gz OFALESPGJLRTKT-CQSZACIVSA-N 1 0 309.322 0.850 20 5 DCBDRO O=c1[nH]ccc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000596111723 396718631 /nfs/dbraw/zinc/71/86/31/396718631.db2.gz BQBGZQOUOMGILC-JQWIXIFHSA-N 1 0 308.338 0.731 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000304287187 396728423 /nfs/dbraw/zinc/72/84/23/396728423.db2.gz BBGXLUFHBKKQLX-UKRRQHHQSA-N 1 0 323.397 0.570 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000315581599 396791577 /nfs/dbraw/zinc/79/15/77/396791577.db2.gz LGCGWSFWDLRZQI-UHFFFAOYSA-N 1 0 311.386 0.488 20 5 DCBDRO COC1CC[NH+](CCNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000610573080 396731630 /nfs/dbraw/zinc/73/16/30/396731630.db2.gz VPRFVPMRXIVPDU-UHFFFAOYSA-N 1 0 311.342 0.467 20 5 DCBDRO CC(C)C[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000596253346 396746164 /nfs/dbraw/zinc/74/61/64/396746164.db2.gz QEWWNXWTGDEVNM-UHFFFAOYSA-N 1 0 309.370 0.962 20 5 DCBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000564793676 396869158 /nfs/dbraw/zinc/86/91/58/396869158.db2.gz RORRBBJOVPKCIJ-DGCLKSJQSA-N 1 0 313.402 0.718 20 5 DCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000611235195 396841527 /nfs/dbraw/zinc/84/15/27/396841527.db2.gz FOTMFERUUQKUND-SNVBAGLBSA-N 1 0 311.342 0.169 20 5 DCBDRO O=C1NCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591735167 396994361 /nfs/dbraw/zinc/99/43/61/396994361.db2.gz WOXDKPQYUWXHPU-NWDGAFQWSA-N 1 0 323.349 0.450 20 5 DCBDRO CCC1(O)CCC([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591757568 396998993 /nfs/dbraw/zinc/99/89/93/396998993.db2.gz HPOAZASUSOQGSG-QRMWWUJWSA-N 1 0 312.370 0.826 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC12CC[NH2+]CC2 ZINC000597440026 396972642 /nfs/dbraw/zinc/97/26/42/396972642.db2.gz LAZGUFJKKNWNHH-NSHDSACASA-N 1 0 308.342 0.233 20 5 DCBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000591686477 396977501 /nfs/dbraw/zinc/97/75/01/396977501.db2.gz HNJPZCRXVDMWOU-YGRLFVJLSA-N 1 0 305.338 0.707 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591686194 396977585 /nfs/dbraw/zinc/97/75/85/396977585.db2.gz RCINDOLXVPXKBB-LLVKDONJSA-N 1 0 307.354 0.748 20 5 DCBDRO C[C@@H](CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576086 397098308 /nfs/dbraw/zinc/09/83/08/397098308.db2.gz AMTJSZLSWSRLPZ-JTQLQIEISA-N 1 0 302.352 0.729 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000597653780 397045997 /nfs/dbraw/zinc/04/59/97/397045997.db2.gz LYXUIWCYYHDDPP-GFCCVEGCSA-N 1 0 320.349 0.588 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CC[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000592294570 397144320 /nfs/dbraw/zinc/14/43/20/397144320.db2.gz CSSWIZISQDHWGH-SECBINFHSA-N 1 0 307.306 0.802 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000592306642 397148329 /nfs/dbraw/zinc/14/83/29/397148329.db2.gz DMLBVBJUNHTUKU-GWCFXTLKSA-N 1 0 309.322 0.548 20 5 DCBDRO CNc1ccc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592310770 397150960 /nfs/dbraw/zinc/15/09/60/397150960.db2.gz YNFSDBNRPMYHOT-TVQRCGJNSA-N 1 0 308.338 0.825 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000592366684 397160537 /nfs/dbraw/zinc/16/05/37/397160537.db2.gz APWVYIPFEHUGPQ-SECBINFHSA-N 1 0 315.351 0.634 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000592367275 397161319 /nfs/dbraw/zinc/16/13/19/397161319.db2.gz NEVUKACQTQVZRN-VIFPVBQESA-N 1 0 300.340 0.410 20 5 DCBDRO CC[NH2+]CCCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592458836 397183369 /nfs/dbraw/zinc/18/33/69/397183369.db2.gz JOKWENOPTAFGKE-LLVKDONJSA-N 1 0 322.365 0.829 20 5 DCBDRO CCCc1n[nH]c(C(=O)N(C)CCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000592469185 397184288 /nfs/dbraw/zinc/18/42/88/397184288.db2.gz JMGFKUWISVBUIR-UHFFFAOYSA-N 1 0 324.385 0.248 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592475112 397185153 /nfs/dbraw/zinc/18/51/53/397185153.db2.gz ORWSBYXJINRCOQ-YPMHNXCESA-N 1 0 322.365 0.890 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475103 397185813 /nfs/dbraw/zinc/18/58/13/397185813.db2.gz NXHRWVDKQPELNG-MJVIPROJSA-N 1 0 322.365 0.970 20 5 DCBDRO C[C@H](CCC[NH3+])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592554610 397212434 /nfs/dbraw/zinc/21/24/34/397212434.db2.gz JOMZWBSNGQOMEH-MNOVXSKESA-N 1 0 322.365 0.957 20 5 DCBDRO CC(C)(C[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598660968 397270249 /nfs/dbraw/zinc/27/02/49/397270249.db2.gz ARXREHLXCLMYLY-UHFFFAOYSA-N 1 0 309.326 0.570 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381518758 397272259 /nfs/dbraw/zinc/27/22/59/397272259.db2.gz WUNFMPAPHGNVMY-SFYZADRCSA-N 1 0 303.340 0.617 20 5 DCBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000598669622 397272295 /nfs/dbraw/zinc/27/22/95/397272295.db2.gz KBXTVLVKMSISGS-QMTHXVAHSA-N 1 0 306.322 0.096 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598914473 397307605 /nfs/dbraw/zinc/30/76/05/397307605.db2.gz FOVXDYWXNFPGFA-VHSXEESVSA-N 1 0 306.322 0.729 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000598915191 397307719 /nfs/dbraw/zinc/30/77/19/397307719.db2.gz JURQVJNBXWPAIU-LBPRGKRZSA-N 1 0 318.333 0.792 20 5 DCBDRO C[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])C[NH+](C)C ZINC000598627290 397263549 /nfs/dbraw/zinc/26/35/49/397263549.db2.gz KKDDLRYPEUVZMP-NSHDSACASA-N 1 0 324.385 0.831 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2CC[C@@H](O)C2)n1 ZINC000599085086 397332569 /nfs/dbraw/zinc/33/25/69/397332569.db2.gz LPPVLBJDGXXRKS-MGPQQGTHSA-N 1 0 323.397 0.931 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593732053 397434991 /nfs/dbraw/zinc/43/49/91/397434991.db2.gz HQWDGSDGUZKHME-UHFFFAOYSA-N 1 0 314.367 0.658 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1[N+](=O)[O-] ZINC000602591103 397445394 /nfs/dbraw/zinc/44/53/94/397445394.db2.gz KRSIEOXTHNEXGW-TXEJJXNPSA-N 1 0 307.354 0.761 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000602465108 397409359 /nfs/dbraw/zinc/40/93/59/397409359.db2.gz HWJBRVHJNKUDOK-LBPRGKRZSA-N 1 0 306.366 0.986 20 5 DCBDRO COC(=O)[C@H]1C[C@H](OC)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000370344335 397472369 /nfs/dbraw/zinc/47/23/69/397472369.db2.gz WQPLEYROWRCYPR-GHMZBOCLSA-N 1 0 312.326 0.444 20 5 DCBDRO [NH3+]C1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000579352819 397556158 /nfs/dbraw/zinc/55/61/58/397556158.db2.gz MSXZMVZEOROEAV-UHFFFAOYSA-N 1 0 313.379 0.890 20 5 DCBDRO Nc1c(C(=O)N2CCCO[C@H](C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000579121110 397525984 /nfs/dbraw/zinc/52/59/84/397525984.db2.gz GRADJKISQWUOHR-SECBINFHSA-N 1 0 312.301 0.506 20 5 DCBDRO CNc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000579121958 397527025 /nfs/dbraw/zinc/52/70/25/397527025.db2.gz QVSVSMHITFUKGN-NSHDSACASA-N 1 0 307.354 0.270 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCC[NH2+]1 ZINC000599907075 397538419 /nfs/dbraw/zinc/53/84/19/397538419.db2.gz KLEZKOCFJOFAKE-GFCCVEGCSA-N 1 0 308.338 0.425 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609309382 397769394 /nfs/dbraw/zinc/76/93/94/397769394.db2.gz CQRVDFLELUTXCA-SNVBAGLBSA-N 1 0 308.342 0.319 20 5 DCBDRO COCC(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000610447427 397821987 /nfs/dbraw/zinc/82/19/87/397821987.db2.gz HFZTYRFOMMWILN-UHFFFAOYSA-N 1 0 311.342 0.018 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000087384195 158091648 /nfs/dbraw/zinc/09/16/48/158091648.db2.gz MKDLNKNCIJOBBU-SNVBAGLBSA-N 1 0 315.351 0.619 20 5 DCBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)C[NH+]1CCN(C)CC1 ZINC000330534582 159187736 /nfs/dbraw/zinc/18/77/36/159187736.db2.gz INMFKRLBTUCPDS-LBPRGKRZSA-N 1 0 323.397 0.547 20 5 DCBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000330535620 159187999 /nfs/dbraw/zinc/18/79/99/159187999.db2.gz RXFXUZCHCOKJHA-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO C[NH+](C)[C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432858 159208376 /nfs/dbraw/zinc/20/83/76/159208376.db2.gz DBAJHMTZHUZJLP-JSGCOSHPSA-N 1 0 311.386 0.568 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368050085 159372122 /nfs/dbraw/zinc/37/21/22/159372122.db2.gz YPOHUGKVNFLIHK-QWRGUYRKSA-N 1 0 320.349 0.770 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@H]21 ZINC000408350114 160089820 /nfs/dbraw/zinc/08/98/20/160089820.db2.gz XYBLTODZLJDTKB-GHMZBOCLSA-N 1 0 308.342 0.129 20 5 DCBDRO C[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C[NH+](C)C ZINC000291985891 286879128 /nfs/dbraw/zinc/87/91/28/286879128.db2.gz XMUIOEVNQPHDDS-VIFPVBQESA-N 1 0 316.383 0.852 20 5 DCBDRO COCCN1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@@H]1C ZINC000357054636 287203205 /nfs/dbraw/zinc/20/32/05/287203205.db2.gz UPJJYKYYPSVCIL-JTQLQIEISA-N 1 0 311.342 0.121 20 5 DCBDRO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420389500 287295551 /nfs/dbraw/zinc/29/55/51/287295551.db2.gz MEFQYVRAOACRLL-CQSZACIVSA-N 1 0 322.365 0.973 20 5 DCBDRO [NH3+]CCN(CCO)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000342403049 415165491 /nfs/dbraw/zinc/16/54/91/415165491.db2.gz TUEUSPWZLJFBSN-UHFFFAOYSA-N 1 0 307.310 0.398 20 5 DCBDRO C[NH+](C)C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000276020469 415410736 /nfs/dbraw/zinc/41/07/36/415410736.db2.gz QTXFIMZOTCHTJN-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO CC(C)[NH2+]C1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072605982 415414750 /nfs/dbraw/zinc/41/47/50/415414750.db2.gz XFHHVDOJJKMWSA-AWEZNQCLSA-N 1 0 311.386 0.615 20 5 DCBDRO CCN(CCC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000276245947 415457207 /nfs/dbraw/zinc/45/72/07/415457207.db2.gz PWDJAAUDPNESPX-UHFFFAOYSA-N 1 0 310.354 0.557 20 5 DCBDRO C[C@H](C[NH+](C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000343800447 415735811 /nfs/dbraw/zinc/73/58/11/415735811.db2.gz YORFQCXVJSSHPP-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000290378948 415798113 /nfs/dbraw/zinc/79/81/13/415798113.db2.gz BZLAPFZGFVKOLZ-UHFFFAOYSA-N 1 0 323.397 0.790 20 5 DCBDRO COC(=O)Cc1ccc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000295626567 415900048 /nfs/dbraw/zinc/90/00/48/415900048.db2.gz BGWSUMHYIKSNIJ-KBPBESRZSA-N 1 0 323.349 0.421 20 5 DCBDRO C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC(=O)N1 ZINC000296163903 415910447 /nfs/dbraw/zinc/91/04/47/415910447.db2.gz KOKDVFHKKSULOT-VIFPVBQESA-N 1 0 324.312 0.883 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NCC[NH+]1CCC1 ZINC000337305660 415941888 /nfs/dbraw/zinc/94/18/88/415941888.db2.gz UDYFVSNWXMSZGV-UHFFFAOYSA-N 1 0 321.333 0.730 20 5 DCBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000153037527 415974798 /nfs/dbraw/zinc/97/47/98/415974798.db2.gz UUBSYFPBWQZHHV-NSHDSACASA-N 1 0 310.358 0.575 20 5 DCBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+](C)C ZINC000298307135 416001761 /nfs/dbraw/zinc/00/17/61/416001761.db2.gz NVCOCQYEITXSFB-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000338079094 416042797 /nfs/dbraw/zinc/04/27/97/416042797.db2.gz JSEFCZUWRITWDS-LBPRGKRZSA-N 1 0 322.365 0.605 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000299147560 416055103 /nfs/dbraw/zinc/05/51/03/416055103.db2.gz JXKAQWNDYFPYMR-WDEREUQCSA-N 1 0 307.354 0.993 20 5 DCBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(N)=O ZINC000298467891 416009251 /nfs/dbraw/zinc/00/92/51/416009251.db2.gz IODDAHMOJHCXGZ-UHFFFAOYSA-N 1 0 324.337 0.739 20 5 DCBDRO COc1cc(C(=O)NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000163626612 416015205 /nfs/dbraw/zinc/01/52/05/416015205.db2.gz VBIJRUCGKHJJLW-VIFPVBQESA-N 1 0 309.322 0.951 20 5 DCBDRO C[NH+](C)C(C)(C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000298614891 416018770 /nfs/dbraw/zinc/01/87/70/416018770.db2.gz XOAWINGSBBFGIY-UHFFFAOYSA-N 1 0 308.338 0.990 20 5 DCBDRO CNC(=O)CC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170791873 416032552 /nfs/dbraw/zinc/03/25/52/416032552.db2.gz RIWRXDOIJOKIJI-SNVBAGLBSA-N 1 0 308.338 0.990 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000174868426 416087371 /nfs/dbraw/zinc/08/73/71/416087371.db2.gz VDIZAYQJSZDKKI-UHFFFAOYSA-N 1 0 323.397 0.836 20 5 DCBDRO C[N@H+](CCCO)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176246279 416121337 /nfs/dbraw/zinc/12/13/37/416121337.db2.gz MZBFEAVHXPSGDB-UHFFFAOYSA-N 1 0 311.386 0.570 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000176240515 416122528 /nfs/dbraw/zinc/12/25/28/416122528.db2.gz HBIRPULHEXHXID-AWEZNQCLSA-N 1 0 323.397 0.836 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000358039550 416174433 /nfs/dbraw/zinc/17/44/33/416174433.db2.gz CLFCRJXIZQEPQZ-ZDUSSCGKSA-N 1 0 312.301 0.113 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000178945527 416177646 /nfs/dbraw/zinc/17/76/46/416177646.db2.gz SCSKLYFMDXAYLE-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358059550 416183954 /nfs/dbraw/zinc/18/39/54/416183954.db2.gz RRONHFFVRVOIJL-AWEZNQCLSA-N 1 0 309.322 0.400 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358140920 416201390 /nfs/dbraw/zinc/20/13/90/416201390.db2.gz PHVWSHXXCZHQSZ-CYBMUJFWSA-N 1 0 312.301 0.922 20 5 DCBDRO Cc1c(NC(=O)[C@@H](C)N2CCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000358157222 416204602 /nfs/dbraw/zinc/20/46/02/416204602.db2.gz VBFQWZRNYVFWLS-VXGBXAGGSA-N 1 0 322.365 0.890 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000342046825 416272826 /nfs/dbraw/zinc/27/28/26/416272826.db2.gz KOIJAQILIDXZOS-HZSPNIEDSA-N 1 0 310.354 0.796 20 5 DCBDRO C[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193317641 416315596 /nfs/dbraw/zinc/31/55/96/416315596.db2.gz CAVOTGXYUBOWHX-QMMMGPOBSA-N 1 0 310.335 0.769 20 5 DCBDRO COc1ccc(NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000415443416 416343198 /nfs/dbraw/zinc/34/31/98/416343198.db2.gz QZUWSEOYXSRDJM-LLVKDONJSA-N 1 0 323.353 0.629 20 5 DCBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415490516 416345306 /nfs/dbraw/zinc/34/53/06/416345306.db2.gz JPCAPJCWWWURJN-LLVKDONJSA-N 1 0 324.312 0.883 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000415663870 416350400 /nfs/dbraw/zinc/35/04/00/416350400.db2.gz ZHXIZNVMVPWKMY-SECBINFHSA-N 1 0 324.337 0.656 20 5 DCBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415680962 416351190 /nfs/dbraw/zinc/35/11/90/416351190.db2.gz QQXNAXSERBANPK-UFBFGSQYSA-N 1 0 324.312 0.929 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415789017 416354143 /nfs/dbraw/zinc/35/41/43/416354143.db2.gz MFXLBHSCAOBKKC-UHFFFAOYSA-N 1 0 306.322 0.790 20 5 DCBDRO CC1(C)CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415821035 416354968 /nfs/dbraw/zinc/35/49/68/416354968.db2.gz DZRKEJOZXCJFQZ-UHFFFAOYSA-N 1 0 324.312 0.883 20 5 DCBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC[NH2+]CC1 ZINC000237886453 416328918 /nfs/dbraw/zinc/32/89/18/416328918.db2.gz MFFAHUZXGPNQAL-UHFFFAOYSA-N 1 0 301.306 0.826 20 5 DCBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418764581 416390199 /nfs/dbraw/zinc/39/01/99/416390199.db2.gz KTWXVVYZYIUNHQ-ZDUSSCGKSA-N 1 0 322.365 0.767 20 5 DCBDRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419035971 416395991 /nfs/dbraw/zinc/39/59/91/416395991.db2.gz FVXQJKLVHSGHNT-LBPRGKRZSA-N 1 0 320.349 0.107 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000423094217 416464969 /nfs/dbraw/zinc/46/49/69/416464969.db2.gz BDXGYWJYPXEFAJ-JQWIXIFHSA-N 1 0 320.349 0.359 20 5 DCBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)cc([N+](=O)[O-])c1C ZINC000423668646 416536975 /nfs/dbraw/zinc/53/69/75/416536975.db2.gz KNRQGWSOJWFXLW-JQWIXIFHSA-N 1 0 309.322 0.222 20 5 DCBDRO Cc1cc(OCC(=O)NC[C@]2(O)CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000435819066 416538481 /nfs/dbraw/zinc/53/84/81/416538481.db2.gz PAPFPTXHGMHZPS-OAHLLOKOSA-N 1 0 323.349 0.465 20 5 DCBDRO CCO[C@H]1COCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000362027199 416546477 /nfs/dbraw/zinc/54/64/77/416546477.db2.gz NRJSKZYETZWBMT-OLZOCXBDSA-N 1 0 311.338 0.540 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000423508287 416519535 /nfs/dbraw/zinc/51/95/35/416519535.db2.gz KUKUVVSQLXMIBB-UHFFFAOYSA-N 1 0 320.349 0.631 20 5 DCBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000598341890 416602200 /nfs/dbraw/zinc/60/22/00/416602200.db2.gz HVAHZFMLYMUGRS-JTQLQIEISA-N 1 0 307.354 1.246 20 5 DCBDRO Cc1c(C(=O)N(C)CC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000424013146 416604335 /nfs/dbraw/zinc/60/43/35/416604335.db2.gz VNTQYWVASRQHMZ-UHFFFAOYSA-N 1 0 304.310 0.515 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000424028539 416606390 /nfs/dbraw/zinc/60/63/90/416606390.db2.gz DCWHKWHHANOLOH-NSHDSACASA-N 1 0 322.365 0.781 20 5 DCBDRO Nc1nc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596559144 416584950 /nfs/dbraw/zinc/58/49/50/416584950.db2.gz XHBYOKZLOJAKBV-LBPRGKRZSA-N 1 0 314.349 1.075 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000425063711 416682252 /nfs/dbraw/zinc/68/22/52/416682252.db2.gz GBGGYMUHSMPXKU-JOYOIKCWSA-N 1 0 305.338 0.738 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])n1 ZINC000440816904 416649938 /nfs/dbraw/zinc/64/99/38/416649938.db2.gz AZQMBRBTFXWVGE-DTWKUNHWSA-N 1 0 317.371 0.230 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[NH2+]C1 ZINC000428139183 416879289 /nfs/dbraw/zinc/87/92/89/416879289.db2.gz SOURJUPBZWMSEN-GFCCVEGCSA-N 1 0 320.349 0.583 20 5 DCBDRO CC[NH2+]CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429096225 287334684 /nfs/dbraw/zinc/33/46/84/287334684.db2.gz ULMXBVJKLVPYIM-UHFFFAOYSA-N 1 0 323.353 0.120 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428434735 416897196 /nfs/dbraw/zinc/89/71/96/416897196.db2.gz AZFIFAUYTWHZFG-WDEREUQCSA-N 1 0 324.385 0.648 20 5 DCBDRO C[C@@H](O)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519636143 416923203 /nfs/dbraw/zinc/92/32/03/416923203.db2.gz CBHUMYNCVFXBLR-VHSXEESVSA-N 1 0 317.367 0.232 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([NH3+])CC1 ZINC000428744401 416923347 /nfs/dbraw/zinc/92/33/47/416923347.db2.gz ZHZMLIZDLUJUDI-LLVKDONJSA-N 1 0 324.385 0.777 20 5 DCBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000519710531 416929896 /nfs/dbraw/zinc/92/98/96/416929896.db2.gz GQQPNRWCXQQRGS-AWEZNQCLSA-N 1 0 322.296 0.908 20 5 DCBDRO O=C1NCC[C@@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000565174484 416933888 /nfs/dbraw/zinc/93/38/88/416933888.db2.gz QWOKGMUVGUXGOP-GFCCVEGCSA-N 1 0 319.365 0.638 20 5 DCBDRO COc1ccc(C[NH2+]C2(C(N)=O)CCOCC2)cc1[N+](=O)[O-] ZINC000616141893 416971949 /nfs/dbraw/zinc/97/19/49/416971949.db2.gz VIAXBYHWGLUCPB-UHFFFAOYSA-N 1 0 309.322 0.728 20 5 DCBDRO [NH3+]Cc1cn([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000521252239 416999163 /nfs/dbraw/zinc/99/91/63/416999163.db2.gz DDIXRUJZBQODDI-LBPRGKRZSA-N 1 0 320.357 0.179 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447900555 417036910 /nfs/dbraw/zinc/03/69/10/417036910.db2.gz CQACBOGSWHCMQP-UONOGXRCSA-N 1 0 323.349 0.971 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000569121097 417217609 /nfs/dbraw/zinc/21/76/09/417217609.db2.gz BWOQRPGCFPXLJL-UHFFFAOYSA-N 1 0 320.309 0.084 20 5 DCBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570178193 417322351 /nfs/dbraw/zinc/32/23/51/417322351.db2.gz XQMQGTZPBKJPKK-ZETCQYMHSA-N 1 0 312.713 0.665 20 5 DCBDRO COc1cc(CNC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1OC ZINC000415094520 417328927 /nfs/dbraw/zinc/32/89/27/417328927.db2.gz KDIJSJDLEJXIMG-LLVKDONJSA-N 1 0 311.338 0.690 20 5 DCBDRO CO[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000451748619 417390507 /nfs/dbraw/zinc/39/05/07/417390507.db2.gz JFQDDJHDYINYOF-IACUBPJLSA-N 1 0 312.322 0.026 20 5 DCBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415377748 417376552 /nfs/dbraw/zinc/37/65/52/417376552.db2.gz BLMWPDWCRXJWCA-HBNTYKKESA-N 1 0 305.338 0.921 20 5 DCBDRO Cn1c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452353244 417470557 /nfs/dbraw/zinc/47/05/57/417470557.db2.gz UCXUCLKISWCSEQ-NSHDSACASA-N 1 0 310.354 0.510 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000576122840 417582919 /nfs/dbraw/zinc/58/29/19/417582919.db2.gz QBAVWHDKHQXVHK-SCZZXKLOSA-N 1 0 311.729 0.391 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000576636677 417624986 /nfs/dbraw/zinc/62/49/86/417624986.db2.gz MRCQYTCKYCRWRX-HTQZYQBOSA-N 1 0 305.360 0.215 20 5 DCBDRO CC[N@H+](C)C[C@H](O)CN1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000576766910 417634472 /nfs/dbraw/zinc/63/44/72/417634472.db2.gz AOPGJCNOBJHVMK-ZDUSSCGKSA-N 1 0 309.366 0.970 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578950035 417688979 /nfs/dbraw/zinc/68/89/79/417688979.db2.gz PPQQGCBFIGTJPB-KCJUWKMLSA-N 1 0 305.338 0.785 20 5 DCBDRO CNc1nccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1[N+](=O)[O-] ZINC000579255322 417689378 /nfs/dbraw/zinc/68/93/78/417689378.db2.gz BRIFVTSMJPMIME-PWSUYJOCSA-N 1 0 321.381 1.444 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000440840261 287409501 /nfs/dbraw/zinc/40/95/01/287409501.db2.gz DXUYNPZQQUVXFV-SSDOTTSWSA-N 1 0 321.330 0.616 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000440860324 287410042 /nfs/dbraw/zinc/41/00/42/287410042.db2.gz OJCFHYJSZMGZSJ-ZETCQYMHSA-N 1 0 321.330 0.758 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000577864906 417680957 /nfs/dbraw/zinc/68/09/57/417680957.db2.gz YFGMULIGMGWEJJ-HNNXBMFYSA-N 1 0 319.365 1.199 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+](CC3CC3)CC2)c1 ZINC000304306077 261173962 /nfs/dbraw/zinc/17/39/62/261173962.db2.gz JHYSORHFXZBOJN-CQSZACIVSA-N 1 0 309.370 0.180 20 5 DCBDRO CN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000316576530 261175112 /nfs/dbraw/zinc/17/51/12/261175112.db2.gz LUBCKXFWZBOAED-HJHHMULASA-N 1 0 304.350 0.709 20 5 DCBDRO CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000316675622 261175553 /nfs/dbraw/zinc/17/55/53/261175553.db2.gz HHICIRQNKNRILC-KTRBRXNASA-N 1 0 304.350 0.709 20 5 DCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000354566178 261238181 /nfs/dbraw/zinc/23/81/81/261238181.db2.gz LGNJWEAMZCWLOT-JSGCOSHPSA-N 1 0 320.397 0.847 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000394613209 262162579 /nfs/dbraw/zinc/16/25/79/262162579.db2.gz NFOQWXFUWNQYNT-SFYZADRCSA-N 1 0 303.340 0.617 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418773343 262288523 /nfs/dbraw/zinc/28/85/23/262288523.db2.gz BXYMSEYCEBATKU-GXFFZTMASA-N 1 0 320.349 0.722 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418920423 262298045 /nfs/dbraw/zinc/29/80/45/262298045.db2.gz HFTYTIPELMAOAS-JTQLQIEISA-N 1 0 308.338 0.107 20 5 DCBDRO C[NH2+]C[C@H](C)CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000420220969 271367473 /nfs/dbraw/zinc/36/74/73/271367473.db2.gz ZMTPZRIYGXHDPI-QMMMGPOBSA-N 1 0 302.356 0.510 20 5 DCBDRO CC[NH2+]CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422778856 271385269 /nfs/dbraw/zinc/38/52/69/271385269.db2.gz FDVNGUKMJTXLIF-UHFFFAOYSA-N 1 0 322.365 0.771 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422787213 271385676 /nfs/dbraw/zinc/38/56/76/271385676.db2.gz UAKIAYXYQVDMIJ-NSHDSACASA-N 1 0 322.365 0.899 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557673 272135366 /nfs/dbraw/zinc/13/53/66/272135366.db2.gz DBGKVTULNMSUIN-NFBGWVBBSA-N 1 0 305.334 0.791 20 5 DCBDRO CC(C)(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000494878801 272233490 /nfs/dbraw/zinc/23/34/90/272233490.db2.gz PONJCGIGVJIYCS-CMPLNLGQSA-N 1 0 307.354 0.737 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CCN2C1=O ZINC000519710115 287679966 /nfs/dbraw/zinc/67/99/66/287679966.db2.gz NEAAKMIOBXVQNJ-HTQZYQBOSA-N 1 0 322.350 0.052 20 5 DCBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000157303687 277182348 /nfs/dbraw/zinc/18/23/48/277182348.db2.gz CGIIPCOTCIJTRW-NEPJUHHUSA-N 1 0 307.354 0.734 20 5 DCBDRO CC[NH+]1CCN(C[C@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547764225 288076722 /nfs/dbraw/zinc/07/67/22/288076722.db2.gz JALAMVPPVQDYNX-LLVKDONJSA-N 1 0 324.385 0.321 20 5 DCBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])cn1C ZINC000548050786 288106177 /nfs/dbraw/zinc/10/61/77/288106177.db2.gz BEBBAIHCFPPHKW-LLVKDONJSA-N 1 0 324.381 0.851 20 5 DCBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000548950548 288188558 /nfs/dbraw/zinc/18/85/58/288188558.db2.gz FJECSWFZGQDPFF-SNVBAGLBSA-N 1 0 311.342 0.285 20 5 DCBDRO CN(C(=O)C[NH2+]C(C)(C)CC(N)=O)c1ccc([N+](=O)[O-])cc1 ZINC000186259370 281741308 /nfs/dbraw/zinc/74/13/08/281741308.db2.gz WXDZFSVPMSHDQK-UHFFFAOYSA-N 1 0 308.338 0.801 20 5 DCBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000560508559 288508571 /nfs/dbraw/zinc/50/85/71/288508571.db2.gz MFORAKTULLAXNJ-HNNXBMFYSA-N 1 0 305.334 0.781 20 5 DCBDRO C[C@H]1CCCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000565342074 288845157 /nfs/dbraw/zinc/84/51/57/288845157.db2.gz FGUVTHNIEIVBDC-JSGCOSHPSA-N 1 0 311.386 0.474 20 5 DCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000261773730 295276501 /nfs/dbraw/zinc/27/65/01/295276501.db2.gz WHHKRJXFTNILAL-QMMMGPOBSA-N 1 0 319.314 0.082 20 5 DCBDRO [NH3+]C[C@@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000236246264 303413158 /nfs/dbraw/zinc/41/31/58/303413158.db2.gz XDDZRSANLXBVNQ-SSDOTTSWSA-N 1 0 317.143 0.916 20 5 DCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000582241844 336391149 /nfs/dbraw/zinc/39/11/49/336391149.db2.gz LZOGUJNHHYJIAD-QWRGUYRKSA-N 1 0 322.365 0.496 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000582431997 336975147 /nfs/dbraw/zinc/97/51/47/336975147.db2.gz YOGJJNBUTRTLJS-PSASIEDQSA-N 1 0 310.741 0.996 20 5 DCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331022759 533913188 /nfs/dbraw/zinc/91/31/88/533913188.db2.gz ZMWBPZQFBDYPNB-LLVKDONJSA-N 1 0 309.370 0.679 20 5 DCBDRO CC(C)C[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000161672578 519724168 /nfs/dbraw/zinc/72/41/68/519724168.db2.gz RJDHVUVUXCMIPT-UHFFFAOYSA-N 1 0 324.385 0.775 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000162076769 522036986 /nfs/dbraw/zinc/03/69/86/522036986.db2.gz TVPMDTQBFPCZAE-LLVKDONJSA-N 1 0 310.358 0.527 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)Cc2cccnc2)c1 ZINC000156796991 527415983 /nfs/dbraw/zinc/41/59/83/527415983.db2.gz FOFKXHSEOVBVTK-AWEZNQCLSA-N 1 0 321.337 0.042 20 5 DCBDRO Cn1cc(CC[N@@H+]2CCCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000981137115 661084879 /nfs/dbraw/zinc/08/48/79/661084879.db2.gz NFYLVTZVIULHJZ-ZIAGYGMSSA-N 1 0 321.381 0.162 20 5 DCBDRO Cc1noc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC000934271274 658264869 /nfs/dbraw/zinc/26/48/69/658264869.db2.gz GFEPIFBPIWPTSO-NEPJUHHUSA-N 1 0 310.354 0.922 20 5 DCBDRO CCc1nocc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063699 658815678 /nfs/dbraw/zinc/81/56/78/658815678.db2.gz HYDWDRMSCGZYLU-LSCVPOLPSA-N 1 0 308.338 0.639 20 5 DCBDRO C[NH+]1CCC(OCC(=O)OCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000923790033 659468724 /nfs/dbraw/zinc/46/87/24/659468724.db2.gz QWHZYUGNYLLZOQ-UHFFFAOYSA-N 1 0 312.326 0.445 20 5 DCBDRO O=C(N[C@@H]1[C@H]2CN(Cc3cscn3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777850 659554635 /nfs/dbraw/zinc/55/46/35/659554635.db2.gz PHXVCHJRMDPENI-ZIQFBCGOSA-N 1 0 308.363 0.355 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cncs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983657153 662002072 /nfs/dbraw/zinc/00/20/72/662002072.db2.gz IKAYCIJOCBHBHP-CNVPUSNMSA-N 1 0 310.379 0.793 20 5 DCBDRO C[C@H](O)C[NH+]1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000729263845 662761556 /nfs/dbraw/zinc/76/15/56/662761556.db2.gz LKAFBHNTGGQROW-NSHDSACASA-N 1 0 305.338 0.745 20 5 DCBDRO Cn1cc(C[N@H+]2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001000672601 665914150 /nfs/dbraw/zinc/91/41/50/665914150.db2.gz YJVKIWFYSAOJDG-ZIAGYGMSSA-N 1 0 319.365 0.334 20 5 DCBDRO O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899880851 663196997 /nfs/dbraw/zinc/19/69/97/663196997.db2.gz AWZIQHNZJAZQGS-OAHLLOKOSA-N 1 0 318.333 0.460 20 5 DCBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N1CCNCC[NH2+]CC1 ZINC000900473740 663250103 /nfs/dbraw/zinc/25/01/03/663250103.db2.gz DVULIJIDKSPCKF-UHFFFAOYSA-N 1 0 311.317 0.761 20 5 DCBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000905218110 663541591 /nfs/dbraw/zinc/54/15/91/663541591.db2.gz HVHZJXQAXXTENY-UHFFFAOYSA-N 1 0 317.342 0.732 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911694382 664100936 /nfs/dbraw/zinc/10/09/36/664100936.db2.gz WCQQUDDOWWSSAC-LSDHHAIUSA-N 1 0 318.377 0.720 20 5 DCBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000912321448 664161992 /nfs/dbraw/zinc/16/19/92/664161992.db2.gz IWPLVCDEXATOFN-AWEZNQCLSA-N 1 0 305.334 0.935 20 5 DCBDRO COc1ccc(C(=O)N2CCN(C)[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000913555578 664614380 /nfs/dbraw/zinc/61/43/80/664614380.db2.gz HZDHNCJCBGYHKG-LLVKDONJSA-N 1 0 309.322 0.352 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000913677325 664711976 /nfs/dbraw/zinc/71/19/76/664711976.db2.gz KKBUODYOHCQDLV-UHFFFAOYSA-N 1 0 301.387 0.737 20 5 DCBDRO C[NH+](C)CCCOC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000919279951 665204198 /nfs/dbraw/zinc/20/41/98/665204198.db2.gz NMTVGHAFXBSVLG-UHFFFAOYSA-N 1 0 323.305 0.998 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000861772641 666976871 /nfs/dbraw/zinc/97/68/71/666976871.db2.gz ZEPIYUJMWGZNRH-VIFPVBQESA-N 1 0 308.338 0.325 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863834324 667188738 /nfs/dbraw/zinc/18/87/38/667188738.db2.gz HFJSXCCQYCSQQO-JTQLQIEISA-N 1 0 311.313 0.839 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000923385013 667522301 /nfs/dbraw/zinc/52/23/01/667522301.db2.gz SGHLPYPACKYNOL-RBSFLKMASA-N 1 0 307.350 0.691 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000868422570 667570901 /nfs/dbraw/zinc/57/09/01/667570901.db2.gz SVSIYQZOCWUVNA-DGCLKSJQSA-N 1 0 322.369 0.527 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000871986138 667862786 /nfs/dbraw/zinc/86/27/86/667862786.db2.gz CVJDNGCPVMOTOG-CYBMUJFWSA-N 1 0 303.322 0.606 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cn1nccc1[N+](=O)[O-] ZINC000746655159 667885180 /nfs/dbraw/zinc/88/51/80/667885180.db2.gz ZUFRXWUKFDPVRE-FRRDWIJNSA-N 1 0 309.370 0.932 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000839704024 668135648 /nfs/dbraw/zinc/13/56/48/668135648.db2.gz RXNMVGKJINTETD-BFHYXJOUSA-N 1 0 311.382 0.755 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000874837027 668224986 /nfs/dbraw/zinc/22/49/86/668224986.db2.gz GADRMWZXBDZXFM-STQMWFEESA-N 1 0 320.349 0.452 20 5 DCBDRO COc1ccc(NC(=O)C[NH2+][C@@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000763086267 668397025 /nfs/dbraw/zinc/39/70/25/668397025.db2.gz RKUFHCPHTALCKV-LBPRGKRZSA-N 1 0 309.322 0.902 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000877039844 668555905 /nfs/dbraw/zinc/55/59/05/668555905.db2.gz KRPWKOOHVQTKMJ-JTQLQIEISA-N 1 0 308.338 0.379 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000126518519 668616403 /nfs/dbraw/zinc/61/64/03/668616403.db2.gz JBPZMJRHNOCHIJ-VIFPVBQESA-N 1 0 317.342 0.964 20 5 DCBDRO C[C@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000778356411 668898431 /nfs/dbraw/zinc/89/84/31/668898431.db2.gz NLYUMSWQIBKVRF-WFASDCNBSA-N 1 0 309.366 0.627 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000878917219 668950804 /nfs/dbraw/zinc/95/08/04/668950804.db2.gz DOTQZTNXKBVNNA-LLVKDONJSA-N 1 0 309.326 0.626 20 5 DCBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[C@]1(O)CCOC1 ZINC000930353367 669000357 /nfs/dbraw/zinc/00/03/57/669000357.db2.gz JGICEFKNMRRUTE-HZPDHXFCSA-N 1 0 324.377 0.972 20 5 DCBDRO CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)CC[N+](=O)[O-])CC1 ZINC000930496244 669030061 /nfs/dbraw/zinc/03/00/61/669030061.db2.gz ARMSCTQFBHBUEJ-LLVKDONJSA-N 1 0 307.416 0.645 20 5 DCBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000931125434 669137572 /nfs/dbraw/zinc/13/75/72/669137572.db2.gz HXQXBZIEJAXWLA-LBPRGKRZSA-N 1 0 309.370 0.948 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC000932041567 669303052 /nfs/dbraw/zinc/30/30/52/669303052.db2.gz BFWVXDHNHOLJNN-UHFFFAOYSA-N 1 0 313.358 0.136 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)n1 ZINC000934265118 669588450 /nfs/dbraw/zinc/58/84/50/669588450.db2.gz XIECKKBJPMJNSA-STQMWFEESA-N 1 0 309.370 0.322 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000133151523 669783100 /nfs/dbraw/zinc/78/31/00/669783100.db2.gz WULSFTWVOIZCSV-JTQLQIEISA-N 1 0 315.351 0.619 20 5 DCBDRO [NH3+]CC12CC(C1)CN2S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000850590991 670921107 /nfs/dbraw/zinc/92/11/07/670921107.db2.gz GRKYVLUSQIKNNX-UHFFFAOYSA-N 1 0 315.326 0.846 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000818948405 671079365 /nfs/dbraw/zinc/07/93/65/671079365.db2.gz DHFMSJHFPKLZCL-CBAPKCEASA-N 1 0 309.153 0.936 20 5 DCBDRO O=C(NCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccn[nH]1 ZINC000819215904 671102211 /nfs/dbraw/zinc/10/22/11/671102211.db2.gz ALHDGPQVLMLZPZ-CYBMUJFWSA-N 1 0 319.321 0.371 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000853082608 671206831 /nfs/dbraw/zinc/20/68/31/671206831.db2.gz KNCPMCKVJRNBGD-LBPRGKRZSA-N 1 0 315.351 0.634 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750682 671587386 /nfs/dbraw/zinc/58/73/86/671587386.db2.gz TVXZOFIHNHJAEF-KGLIPLIRSA-N 1 0 307.350 0.739 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750666 671587859 /nfs/dbraw/zinc/58/78/59/671587859.db2.gz TVXZOFIHNHJAEF-KBPBESRZSA-N 1 0 307.350 0.739 20 5 DCBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)C[NH+](C)C ZINC000831771127 671685193 /nfs/dbraw/zinc/68/51/93/671685193.db2.gz INQLZCORIJDUOG-LBPRGKRZSA-N 1 0 310.354 0.995 20 5 DCBDRO Nc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000833566162 671748383 /nfs/dbraw/zinc/74/83/83/671748383.db2.gz RUXZFEUPMXOHQX-GFCCVEGCSA-N 1 0 322.365 0.754 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000836847679 671834466 /nfs/dbraw/zinc/83/44/66/671834466.db2.gz AFSOZXYOHIVKOM-XBFCOCLRSA-N 1 0 305.334 0.791 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000841202335 671919287 /nfs/dbraw/zinc/91/92/87/671919287.db2.gz BRIJOPBZJOWUMA-SSDOTTSWSA-N 1 0 312.301 0.834 20 5 DCBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000843090277 672060738 /nfs/dbraw/zinc/06/07/38/672060738.db2.gz VPQJJKJHIRIHGL-NEPJUHHUSA-N 1 0 310.310 0.377 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H](CO)CN2CCCC2)cc1 ZINC000843114105 672062994 /nfs/dbraw/zinc/06/29/94/672062994.db2.gz CZKJZYLXKNPIDF-DZGCQCFKSA-N 1 0 309.366 0.675 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456283 672098477 /nfs/dbraw/zinc/09/84/77/672098477.db2.gz KTIVQUJAFCHEIY-UHFFFAOYSA-N 1 0 319.325 0.551 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456699 672098537 /nfs/dbraw/zinc/09/85/37/672098537.db2.gz PXGLIWPYBQXYTH-UHFFFAOYSA-N 1 0 319.325 0.551 20 5 DCBDRO Cc1nc([N+](=O)[O-])c(-c2noc(CC(F)(F)C[NH3+])n2)n1C ZINC000844916121 672209499 /nfs/dbraw/zinc/20/94/99/672209499.db2.gz JDOSZJPMYLHQAC-UHFFFAOYSA-N 1 0 302.241 0.823 20 5 DCBDRO CC(C)n1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001020139363 693709990 /nfs/dbraw/zinc/70/99/90/693709990.db2.gz ZHAZHSDRANLPAR-FPQZTECRSA-N 1 0 322.369 0.261 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001691441350 1157731922 /nfs/dbraw/zinc/73/19/22/1157731922.db2.gz OCHWJVIIRHXOOT-GDNZZTSVSA-N 1 0 321.381 0.922 20 5 DCBDRO CCOCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001753569307 1158042032 /nfs/dbraw/zinc/04/20/32/1158042032.db2.gz RJHHMAWXBROFGR-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO CCC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001567475079 1160383146 /nfs/dbraw/zinc/38/31/46/1160383146.db2.gz BIJIAMNEUOPMRE-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)n1 ZINC001569435474 1161057596 /nfs/dbraw/zinc/05/75/96/1161057596.db2.gz JWVDKWVLTSSTPQ-GFCCVEGCSA-N 1 0 322.365 0.875 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]CC1CCCCC1 ZINC001569932960 1161328991 /nfs/dbraw/zinc/32/89/91/1161328991.db2.gz JESAYQGQEBQRHN-ZIAGYGMSSA-N 1 0 313.398 0.642 20 5 DCBDRO CC(C)[C@@H]([NH3+])C(=O)NCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001575441927 1164015102 /nfs/dbraw/zinc/01/51/02/1164015102.db2.gz NVDUZSNCVJMDHH-CQSZACIVSA-N 1 0 322.365 0.701 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+][C@@H]1C ZINC001579136500 1165220514 /nfs/dbraw/zinc/22/05/14/1165220514.db2.gz LRTRHCODJVRHIZ-BDAKNGLRSA-N 1 0 315.351 0.632 20 5 DCBDRO Cc1c(CNC(=O)NC[C@]2(O)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001579534907 1165340714 /nfs/dbraw/zinc/34/07/14/1165340714.db2.gz WERZIOBWLDZLGC-AWEZNQCLSA-N 1 0 308.338 0.427 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1(C[NH3+])CCOCC1 ZINC001579869487 1165418344 /nfs/dbraw/zinc/41/83/44/1165418344.db2.gz ZQCKYNRANKWMCI-UHFFFAOYSA-N 1 0 311.342 0.114 20 5 DCBDRO [NH3+]C[C@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCCOC1 ZINC001580233903 1165542293 /nfs/dbraw/zinc/54/22/93/1165542293.db2.gz FVHZYWBREQJCSQ-OAHLLOKOSA-N 1 0 323.349 0.845 20 5 DCBDRO [NH3+][C@H]1C[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001580428735 1165601397 /nfs/dbraw/zinc/60/13/97/1165601397.db2.gz CRDNOLSLUNUOBS-HAQNSBGRSA-N 1 0 319.365 0.916 20 5 DCBDRO O=C(C[C@@H]1COCC[NH2+]1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001580517220 1165628532 /nfs/dbraw/zinc/62/85/32/1165628532.db2.gz IPEYOTYPQKCJNQ-SECBINFHSA-N 1 0 315.276 0.868 20 5 DCBDRO O=C(NC[C@@]1(O)CC[NH2+]C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001580635607 1165669399 /nfs/dbraw/zinc/66/93/99/1165669399.db2.gz RERXXOWHMTYSPG-OAHLLOKOSA-N 1 0 319.361 0.857 20 5 DCBDRO O=C(N[C@@H]1C[NH2+]C[C@@H]1O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC001580747598 1165709352 /nfs/dbraw/zinc/70/93/52/1165709352.db2.gz ZJAYERUJCCMDIV-CVEARBPZSA-N 1 0 323.352 0.744 20 5 DCBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC(=O)NCC12C[NH2+]C2 ZINC001580849267 1165736618 /nfs/dbraw/zinc/73/66/18/1165736618.db2.gz UKHFPQXYYGVWKH-UHFFFAOYSA-N 1 0 324.724 0.162 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCc1ccc2c[nH+]cn2c1 ZINC001583389283 1166249405 /nfs/dbraw/zinc/24/94/05/1166249405.db2.gz LYDASGKSICYJEL-UHFFFAOYSA-N 1 0 300.278 0.755 20 5 DCBDRO CC(C)[C@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589763969 1166684287 /nfs/dbraw/zinc/68/42/87/1166684287.db2.gz KQAFYXFTGQJZFH-NSHDSACASA-N 1 0 306.326 0.881 20 5 DCBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC[N@@H+]1C ZINC001590175198 1166801242 /nfs/dbraw/zinc/80/12/42/1166801242.db2.gz MPVRDMRYINGRAF-HTQZYQBOSA-N 1 0 318.341 0.862 20 5 DCBDRO CCC[C@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001590569430 1166945946 /nfs/dbraw/zinc/94/59/46/1166945946.db2.gz RKBJJVXBJAIKCK-JTQLQIEISA-N 1 0 318.341 0.748 20 5 DCBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001590731472 1166990087 /nfs/dbraw/zinc/99/00/87/1166990087.db2.gz UEJCKWYOVAKIAQ-MRVPVSSYSA-N 1 0 318.341 0.863 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3c(-c4nn[nH]n4)cccc3[N+](=O)[O-])C[C@H]21 ZINC001591024925 1167083971 /nfs/dbraw/zinc/08/39/71/1167083971.db2.gz MLGBJPFMIPSBLN-IAZYJMLFSA-N 1 0 315.337 0.771 20 5 DCBDRO C[C@H](CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[NH+](C)C ZINC001603561941 1169323850 /nfs/dbraw/zinc/32/38/50/1169323850.db2.gz JJWSBKGBEDJCNU-MRVPVSSYSA-N 1 0 306.330 0.780 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001626175164 1169593603 /nfs/dbraw/zinc/59/36/03/1169593603.db2.gz RPDOYKXKXLDEGB-NWDGAFQWSA-N 1 0 320.349 0.770 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604678891 1169653167 /nfs/dbraw/zinc/65/31/67/1169653167.db2.gz CZACPCLIHNWHEM-SNVBAGLBSA-N 1 0 318.341 0.700 20 5 DCBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001604686184 1169656509 /nfs/dbraw/zinc/65/65/09/1169656509.db2.gz LRONDTLFEZDJFD-UHFFFAOYSA-N 1 0 320.357 0.745 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC001611958669 1171360620 /nfs/dbraw/zinc/36/06/20/1171360620.db2.gz PLUDVWBXAMHCIY-NSHDSACASA-N 1 0 308.386 0.909 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001630301382 1171568331 /nfs/dbraw/zinc/56/83/31/1171568331.db2.gz JOYRUXUBNUVYOX-UHFFFAOYSA-N 1 0 313.358 0.184 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)n1 ZINC001635941672 1171717469 /nfs/dbraw/zinc/71/74/69/1171717469.db2.gz NGLDJORERHYYSC-SECBINFHSA-N 1 0 309.326 0.014 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001646378307 1172357451 /nfs/dbraw/zinc/35/74/51/1172357451.db2.gz DUKGDNOHRKWYJR-LLVKDONJSA-N 1 0 309.370 0.946 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC001648588543 1173077312 /nfs/dbraw/zinc/07/73/12/1173077312.db2.gz KKPCWHKEPJECTP-JTQLQIEISA-N 1 0 324.337 0.270 20 5 DCBDRO Cn1nc2c(c1C[NH2+]CCn1cc([N+](=O)[O-])cn1)COCC2 ZINC001650716470 1173730616 /nfs/dbraw/zinc/73/06/16/1173730616.db2.gz FJUSCOQTBSWJAL-UHFFFAOYSA-N 1 0 306.326 0.387 20 5 DCBDRO O=C(C[NH+]1CCCC1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001651489027 1173749440 /nfs/dbraw/zinc/74/94/40/1173749440.db2.gz WJGMEZNTOANHAP-UKRRQHHQSA-N 1 0 323.349 0.201 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652690859 1173775225 /nfs/dbraw/zinc/77/52/25/1173775225.db2.gz NZUJHQJMJPOXFK-SECBINFHSA-N 1 0 309.297 0.937 20 5 DCBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CN(C)CCN1C ZINC001653131265 1173782064 /nfs/dbraw/zinc/78/20/64/1173782064.db2.gz HTTXUXRMVGNYHH-LPXQKFACSA-N 1 0 322.413 0.719 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001653845580 1173795609 /nfs/dbraw/zinc/79/56/09/1173795609.db2.gz VTVJMKALWWBARG-RISCZKNCSA-N 1 0 323.349 0.517 20 5 DCBDRO CCn1cncc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001657945136 1173917552 /nfs/dbraw/zinc/91/75/52/1173917552.db2.gz AATVNHOPWFODJU-HUUCEWRRSA-N 1 0 320.349 0.995 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)[C@H]3CCCOC3)C2)c1 ZINC001659452863 1173932197 /nfs/dbraw/zinc/93/21/97/1173932197.db2.gz YVAWVPSZSYCNMU-BBCYWQGDSA-N 1 0 310.354 0.872 20 5 DCBDRO CS(=O)(=O)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC001664546983 1174438873 /nfs/dbraw/zinc/43/88/73/1174438873.db2.gz BOLIDALPJRQBAJ-UHFFFAOYSA-N 1 0 314.367 0.662 20 5 DCBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCS(=O)(=O)NC2CC2)cc1 ZINC001665886231 1174571323 /nfs/dbraw/zinc/57/13/23/1174571323.db2.gz PJECGUYNLIYPRR-UHFFFAOYSA-N 1 0 313.379 0.809 20 5 DCBDRO COc1cncc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001670091330 1174980857 /nfs/dbraw/zinc/98/08/57/1174980857.db2.gz XAPZSDDTXMILMT-VXGBXAGGSA-N 1 0 323.353 0.089 20 5 DCBDRO CCOCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001671839603 1175039184 /nfs/dbraw/zinc/03/91/84/1175039184.db2.gz NTXORFQCECTERQ-CHWSQXEVSA-N 1 0 313.398 0.906 20 5 DCBDRO C[N@H+](CCO)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001672924998 1175162264 /nfs/dbraw/zinc/16/22/64/1175162264.db2.gz MUELDGDTRRIXRP-ZIAGYGMSSA-N 1 0 307.350 0.392 20 5 DCBDRO O=C(NC1(CO)CC[NH+](CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001700335841 1178585409 /nfs/dbraw/zinc/58/54/09/1178585409.db2.gz DEGSCAQYBZRGLF-CHWSQXEVSA-N 1 0 311.382 0.395 20 5 DCBDRO CC(C)Cn1ncnc1CNCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713591535 1180949747 /nfs/dbraw/zinc/94/97/47/1180949747.db2.gz PMIBKADYQTWXMA-VXGBXAGGSA-N 1 0 324.385 0.147 20 5 DCBDRO NC(=O)CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001717148925 1182695492 /nfs/dbraw/zinc/69/54/92/1182695492.db2.gz WZOCVZSTWFMMJE-UHFFFAOYSA-N 1 0 320.349 0.599 20 5 DCBDRO CC(=O)NC1(C[NH2+]Cc2c([N+](=O)[O-])ncn2C)CCOCC1 ZINC001733827521 1186465082 /nfs/dbraw/zinc/46/50/82/1186465082.db2.gz ORLHRKGSTLBOFB-UHFFFAOYSA-N 1 0 311.342 0.103 20 5 DCBDRO COc1nc(N2CCC[C@@H]([NH+](C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001165039918 721891207 /nfs/dbraw/zinc/89/12/07/721891207.db2.gz QKVJDBGLDHWTAK-SECBINFHSA-N 1 0 311.342 0.932 20 5 DCBDRO [NH3+][C@H]1CN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)C[C@H]1O ZINC001167089646 746968753 /nfs/dbraw/zinc/96/87/53/746968753.db2.gz LITMDAAYUDSQQR-GXFFZTMASA-N 1 0 319.296 0.699 20 5 DCBDRO NC(=O)c1ccnc(-n2ccc3cc(C[NH3+])cnc32)c1[N+](=O)[O-] ZINC001167308153 747084750 /nfs/dbraw/zinc/08/47/50/747084750.db2.gz GWPKTSFIYUOJTN-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO CCOC(=O)c1cnc(-n2ccc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167683962 747586374 /nfs/dbraw/zinc/58/63/74/747586374.db2.gz QFEQEYUEDSAIHI-UHFFFAOYSA-N 1 0 317.305 0.895 20 5 DCBDRO [NH3+]CCc1nnn(-c2cc([N+](=O)[O-])cc(Br)n2)n1 ZINC001167790469 748312201 /nfs/dbraw/zinc/31/22/01/748312201.db2.gz GQOTUGPSIAERMP-UHFFFAOYSA-N 1 0 314.103 0.229 20 5 DCBDRO O=C(CC1OCCCO1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126224297 748325759 /nfs/dbraw/zinc/32/57/59/748325759.db2.gz KHXNQIBSXJKREM-UHFFFAOYSA-N 1 0 323.349 0.954 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001167896117 748468819 /nfs/dbraw/zinc/46/88/19/748468819.db2.gz TURDCBBQDIATJT-ZCFIWIBFSA-N 1 0 303.706 0.731 20 5 DCBDRO Cc1ccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126932365 750143961 /nfs/dbraw/zinc/14/39/61/750143961.db2.gz URJZTVKEQANDFH-CHWSQXEVSA-N 1 0 320.349 0.305 20 5 DCBDRO CC(C)(C)n1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001126936407 750149699 /nfs/dbraw/zinc/14/96/99/750149699.db2.gz GINCELLUOVUKRD-VXGBXAGGSA-N 1 0 309.370 0.509 20 5 DCBDRO Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126943099 750156091 /nfs/dbraw/zinc/15/60/91/750156091.db2.gz KZGPYLVKIOAOBY-CHWSQXEVSA-N 1 0 320.349 0.305 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC001165438193 757321832 /nfs/dbraw/zinc/32/18/32/757321832.db2.gz XTJCNORSACMFHL-SECBINFHSA-N 1 0 300.702 0.594 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCN1C ZINC000823784653 758273973 /nfs/dbraw/zinc/27/39/73/758273973.db2.gz OFMGAWUKSYROII-ZWNOBZJWSA-N 1 0 307.354 0.354 20 5 DCBDRO Cc1c(CC[NH3+])c(=O)[n-]n1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170343618 762623698 /nfs/dbraw/zinc/62/36/98/762623698.db2.gz VNYZDGOYQZEKKZ-UHFFFAOYSA-N 1 0 303.322 0.899 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1cc2ccc(C[NH3+])cc2n1 ZINC001171314435 767857854 /nfs/dbraw/zinc/85/78/54/767857854.db2.gz BHWJTQDGKHBYHD-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(O)O)C1 ZINC001168984469 760530887 /nfs/dbraw/zinc/53/08/87/760530887.db2.gz OICRSWMQUOXPFV-SCRDCRAPSA-N 1 0 310.350 0.649 20 5 DCBDRO CS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968465 760534352 /nfs/dbraw/zinc/53/43/52/760534352.db2.gz ZHHASLBAGAUHFB-PWSUYJOCSA-N 1 0 305.400 0.445 20 5 DCBDRO O=C([C@@H]1CCCO1)N1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009738 760543262 /nfs/dbraw/zinc/54/32/62/760543262.db2.gz XVOWEKGBPDOKMR-IHRRRGAJSA-N 1 0 311.382 0.755 20 5 DCBDRO [NH3+]CCc1nnn(-c2nc(Cl)c(Cl)cc2[N+](=O)[O-])n1 ZINC001156984771 761635127 /nfs/dbraw/zinc/63/51/27/761635127.db2.gz LRUCOCIVENHMFB-UHFFFAOYSA-N 1 0 304.097 0.774 20 5 DCBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C[NH+]1CCCC1 ZINC001101633148 764208163 /nfs/dbraw/zinc/20/81/63/764208163.db2.gz ACKGCRMWGJLZBS-UHFFFAOYSA-N 1 0 307.354 0.956 20 5 DCBDRO Cc1nn[nH]c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132209504 764302602 /nfs/dbraw/zinc/30/26/02/764302602.db2.gz DEOSMAZZKDLTHM-UHFFFAOYSA-N 1 0 304.310 0.541 20 5 DCBDRO O=[N+]([O-])c1cc(Br)nc(N[C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC001170781539 765743398 /nfs/dbraw/zinc/74/33/98/765743398.db2.gz RQXRGPJRLVBCHM-POYBYMJQSA-N 1 0 317.143 0.745 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccncn1 ZINC001135542771 765972016 /nfs/dbraw/zinc/97/20/16/765972016.db2.gz SGOBGJMRGDCBNC-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(OC)ccc1[N+](=O)[O-] ZINC001170869397 766171455 /nfs/dbraw/zinc/17/14/55/766171455.db2.gz BCDXKLWAJFKLKI-RKDXNWHRSA-N 1 0 310.310 0.561 20 5 DCBDRO Cc1nnc([C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001171217223 767020736 /nfs/dbraw/zinc/02/07/36/767020736.db2.gz OMNOKEQARICQHV-CMPLNLGQSA-N 1 0 321.341 0.068 20 5 DCBDRO C[NH+]1CCC(C(=O)NCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001093700833 768696796 /nfs/dbraw/zinc/69/67/96/768696796.db2.gz JSSWFXRSDPQIMV-UHFFFAOYSA-N 1 0 307.354 0.860 20 5 DCBDRO CCOC(=O)c1ccnnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230908709 768908655 /nfs/dbraw/zinc/90/86/55/768908655.db2.gz VLPIBTRWELWUAG-SNVBAGLBSA-N 1 0 312.346 0.016 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@@H]21 ZINC001171814596 769382830 /nfs/dbraw/zinc/38/28/30/769382830.db2.gz KHFHIZLMXDNCOI-CABZTGNLSA-N 1 0 305.338 0.738 20 5 DCBDRO C[C@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC001233619283 769410440 /nfs/dbraw/zinc/41/04/40/769410440.db2.gz FDUYOCUYSOWDJD-SECBINFHSA-N 1 0 318.375 0.716 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-n2cncn2)cc1 ZINC001233925829 769497500 /nfs/dbraw/zinc/49/75/00/769497500.db2.gz VQCMUMBVHNKGQN-CYBMUJFWSA-N 1 0 305.358 0.630 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccon1 ZINC001155144136 770413334 /nfs/dbraw/zinc/41/33/34/770413334.db2.gz YZYPDDFWQKNIDM-UHFFFAOYSA-N 1 0 308.298 0.226 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001155160305 770418938 /nfs/dbraw/zinc/41/89/38/770418938.db2.gz TYDSSQJDMOMYEE-GFCCVEGCSA-N 1 0 309.326 0.289 20 5 DCBDRO COc1ncnc(NCC[C@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155476935 770515544 /nfs/dbraw/zinc/51/55/44/770515544.db2.gz JXYKLPOELOSEMI-VIFPVBQESA-N 1 0 309.326 0.574 20 5 DCBDRO COC(=O)c1ccnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1[N+](=O)[O-] ZINC001155504710 770527955 /nfs/dbraw/zinc/52/79/55/770527955.db2.gz FMFKMQVPYTZEAH-OPRDCNLKSA-N 1 0 308.294 0.175 20 5 DCBDRO COc1nc(N[C@H]2C[NH+]3CCC2CC3)nc(OC)c1[N+](=O)[O-] ZINC001155667193 770584814 /nfs/dbraw/zinc/58/48/14/770584814.db2.gz FMEPVSCVCAMPGJ-VIFPVBQESA-N 1 0 309.326 0.908 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2CCCC[C@@]23C[NH2+]CCO3)c1 ZINC001155823621 770631487 /nfs/dbraw/zinc/63/14/87/770631487.db2.gz AODFUBANNRNKOB-GXTWGEPZSA-N 1 0 308.338 0.941 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N(CC[NH3+])CCO)n1 ZINC001155948051 770669898 /nfs/dbraw/zinc/66/98/98/770669898.db2.gz IELUXBCYACUKSM-UHFFFAOYSA-N 1 0 307.763 0.518 20 5 DCBDRO CN1CCC(CNc2cc([N+](=O)[O-])cc[n+]2[O-])([NH+](C)C)CC1 ZINC001156175784 770739690 /nfs/dbraw/zinc/73/96/90/770739690.db2.gz FOSUETAGQAGUOG-UHFFFAOYSA-N 1 0 309.370 0.666 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001156829437 770938437 /nfs/dbraw/zinc/93/84/37/770938437.db2.gz LRXYOKAFHAKNPY-UHFFFAOYSA-N 1 0 311.305 0.970 20 5 DCBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CC2CC(C2)C1 ZINC001156887461 770955172 /nfs/dbraw/zinc/95/51/72/770955172.db2.gz GOKXBXWFXCXIAK-UHFFFAOYSA-N 1 0 304.354 0.641 20 5 DCBDRO CCOc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157761723 771665070 /nfs/dbraw/zinc/66/50/70/771665070.db2.gz ZGTWTSDXQSHRBY-CHWSQXEVSA-N 1 0 322.365 0.741 20 5 DCBDRO Nc1nc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158262725 771749806 /nfs/dbraw/zinc/74/98/06/771749806.db2.gz UYLUZXSTTCWQLL-JTQLQIEISA-N 1 0 306.370 0.574 20 5 DCBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1cc(N)c([N+](=O)[O-])cn1 ZINC001159453199 771912950 /nfs/dbraw/zinc/91/29/50/771912950.db2.gz VDMOMUSRDPNAHW-UHFFFAOYSA-N 1 0 307.310 0.794 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001159488624 771917965 /nfs/dbraw/zinc/91/79/65/771917965.db2.gz FFPQCWBXBSCGLF-KCJUWKMLSA-N 1 0 310.310 0.565 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001159502589 771921136 /nfs/dbraw/zinc/92/11/36/771921136.db2.gz NTVHJNABUDMNPL-OIBJUYFYSA-N 1 0 324.341 0.440 20 5 DCBDRO C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001185801301 771957733 /nfs/dbraw/zinc/95/77/33/771957733.db2.gz DIMHQYJEYODTAQ-STQMWFEESA-N 1 0 322.413 0.791 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cc(Cl)ncc1[N+](=O)[O-] ZINC001159861160 771969848 /nfs/dbraw/zinc/96/98/48/771969848.db2.gz QARFSPQWQDZEJF-UHFFFAOYSA-N 1 0 302.718 0.971 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1nccc2c1cccc2[N+](=O)[O-] ZINC001162124507 772328934 /nfs/dbraw/zinc/32/89/34/772328934.db2.gz MYYCLGUUUVFICT-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ncnc2sc([N+](=O)[O-])cc21 ZINC001162126427 772329254 /nfs/dbraw/zinc/32/92/54/772329254.db2.gz GWYSWONPGZLMJU-UHFFFAOYSA-N 1 0 317.352 0.324 20 5 DCBDRO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCF)CC1 ZINC001162264754 772348524 /nfs/dbraw/zinc/34/85/24/772348524.db2.gz VWMGQJZGCXQVON-VXGBXAGGSA-N 1 0 317.361 0.466 20 5 DCBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@@H]3COCCC34C[NH2+]C4)c12 ZINC001163070586 772453424 /nfs/dbraw/zinc/45/34/24/772453424.db2.gz YYNVMSOMFLCKMO-SECBINFHSA-N 1 0 304.310 0.657 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163160489 772474904 /nfs/dbraw/zinc/47/49/04/772474904.db2.gz VXGARUPXNFFRBD-HLUHBDAQSA-N 1 0 321.337 0.125 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3nsnc3c2[N+](=O)[O-])N1 ZINC001163250036 772490916 /nfs/dbraw/zinc/49/09/16/772490916.db2.gz MHPPVTXDOAINAS-UFBFGSQYSA-N 1 0 320.334 0.590 20 5 DCBDRO Cc1nccn1CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163920347 772591118 /nfs/dbraw/zinc/59/11/18/772591118.db2.gz WTACDZZOSJGNCZ-UHFFFAOYSA-N 1 0 303.326 0.689 20 5 DCBDRO Nc1nc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC001164303005 772642466 /nfs/dbraw/zinc/64/24/66/772642466.db2.gz NCBNISDBLYUZIE-UWVGGRQHSA-N 1 0 308.342 0.002 20 5 DCBDRO CCOC(=O)c1ccnc(-n2ncc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001165222624 772707217 /nfs/dbraw/zinc/70/72/17/772707217.db2.gz FRNGKJQLAKIPEF-UHFFFAOYSA-N 1 0 317.305 0.998 20 5 DCBDRO COc1nc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165427675 772735528 /nfs/dbraw/zinc/73/55/28/772735528.db2.gz QZECAIXALABFNT-DTWKUNHWSA-N 1 0 311.317 0.907 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(Cl)c(C)cc1[N+](=O)[O-] ZINC001165437291 772737268 /nfs/dbraw/zinc/73/72/68/772737268.db2.gz QLYIQNLJCDCNDK-VIFPVBQESA-N 1 0 314.729 0.903 20 5 DCBDRO COC(=O)c1cc(C)nc(-n2ccnc2CC[NH3+])c1[N+](=O)[O-] ZINC001166350818 772804391 /nfs/dbraw/zinc/80/43/91/772804391.db2.gz DBWMQKOBYGOMNG-UHFFFAOYSA-N 1 0 305.294 0.772 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001166661766 772835727 /nfs/dbraw/zinc/83/57/27/772835727.db2.gz RRLJDIJNIKUCEC-UHFFFAOYSA-N 1 0 315.717 0.752 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCO[C@@H](C[NH3+])C1 ZINC001166940826 772884689 /nfs/dbraw/zinc/88/46/89/772884689.db2.gz RWJLLQCGTVDZKT-JTQLQIEISA-N 1 0 310.310 0.330 20 5 DCBDRO CC(C)(C)OC(=O)NCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224331148 775559608 /nfs/dbraw/zinc/55/96/08/775559608.db2.gz AGALUVUDXXMWGX-LLVKDONJSA-O 1 0 305.395 0.512 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1=COCCC1 ZINC001481212601 939636801 /nfs/dbraw/zinc/63/68/01/939636801.db2.gz NOBULXCISVEYCC-UHFFFAOYSA-N 1 0 323.353 0.571 20 5 DCBDRO Cc1c[nH]c(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001481290287 939717481 /nfs/dbraw/zinc/71/74/81/939717481.db2.gz GOHBUHPPNIIOFJ-UHFFFAOYSA-N 1 0 321.341 0.222 20 5 DCBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn[nH]n1 ZINC001268460669 940149189 /nfs/dbraw/zinc/14/91/89/940149189.db2.gz HZQGJDVKEGSXBU-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001246155715 945352355 /nfs/dbraw/zinc/35/23/55/945352355.db2.gz ZPUQGWJALJSMON-YVLXSGLVSA-N 1 0 304.350 0.694 20 5 DCBDRO O=C(NC/C=C\C[NH2+]CCC1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483007226 941773848 /nfs/dbraw/zinc/77/38/48/941773848.db2.gz HQKYDUBRSXAGMU-KOMGFDSOSA-N 1 0 311.382 0.730 20 5 DCBDRO CN(CCC[NH2+]Cc1cncc(F)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483465098 942371263 /nfs/dbraw/zinc/37/12/63/942371263.db2.gz XBFFLHFFNUWQKR-CHWSQXEVSA-N 1 0 310.329 0.824 20 5 DCBDRO COCCOCCOCCOCCO[C@@H](C)C[N+](C)(C)C ZINC001224934390 942534969 /nfs/dbraw/zinc/53/49/69/942534969.db2.gz SOVRPQIVTPTOGG-HNNXBMFYSA-N 1 0 308.439 0.794 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246641978 945452865 /nfs/dbraw/zinc/45/28/65/945452865.db2.gz KKUPVLSWCFAYNJ-JKSUJKDBSA-N 1 0 302.378 0.699 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]CC[C@H]2O)n1 ZINC001247757323 945573703 /nfs/dbraw/zinc/57/37/03/945573703.db2.gz OCGNHGVZXDZWQX-VXNVDRBHSA-N 1 0 309.257 0.617 20 5 DCBDRO N[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC[NH2+]C1 ZINC001249226578 945623653 /nfs/dbraw/zinc/62/36/53/945623653.db2.gz PQJIZIUIENXRAW-LBPRGKRZSA-N 1 0 308.273 0.716 20 5 DCBDRO CN(CCNC(=O)C12CC[NH+](CC1)C2)c1ncccc1[N+](=O)[O-] ZINC001487402012 945705607 /nfs/dbraw/zinc/70/56/07/945705607.db2.gz ZFKJEVRCEJORTH-UHFFFAOYSA-N 1 0 319.365 0.638 20 5 DCBDRO CC(=O)NCC(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001320956428 946082715 /nfs/dbraw/zinc/08/27/15/946082715.db2.gz KWQJBROWDUOICP-NSCUHMNNSA-N 1 0 320.349 0.493 20 5 DCBDRO NC(=O)[C@@H]([NH3+])Cc1cn([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254600243 946415569 /nfs/dbraw/zinc/41/55/69/946415569.db2.gz RDDHVBFGZJQWLF-KBPBESRZSA-N 1 0 315.333 0.486 20 5 DCBDRO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1cn[nH]n1 ZINC001323482924 947099636 /nfs/dbraw/zinc/09/96/36/947099636.db2.gz SVSRROOZMYUCRX-UHFFFAOYSA-N 1 0 316.321 0.765 20 5 DCBDRO Cc1nc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ncc1[N+](=O)[O-] ZINC001324416882 947422127 /nfs/dbraw/zinc/42/21/27/947422127.db2.gz KFLNNAZWYFRABY-ZDUSSCGKSA-N 1 0 320.397 0.909 20 5 DCBDRO COC[C@]1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC[NH2+]C1 ZINC001325896555 947969239 /nfs/dbraw/zinc/96/92/39/947969239.db2.gz PBBRAWSJCHLDNH-AWEZNQCLSA-N 1 0 319.321 0.841 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC001326086250 948047587 /nfs/dbraw/zinc/04/75/87/948047587.db2.gz ACFQESLDVQTXIG-ZANVPECISA-N 1 0 308.338 0.825 20 5 DCBDRO COC(=O)[C@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOC1 ZINC001462675941 1013083164 /nfs/dbraw/zinc/08/31/64/1013083164.db2.gz QXTAIJUQUUOKIM-MGULZYLOSA-N 1 0 324.337 0.664 20 5 DCBDRO Cc1n[nH]c(=O)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC001326147927 948072441 /nfs/dbraw/zinc/07/24/41/948072441.db2.gz VSEDKVCWTMPYQK-LLVKDONJSA-N 1 0 322.325 0.054 20 5 DCBDRO C[NH+](C)CC[C@@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326575980 948204108 /nfs/dbraw/zinc/20/41/08/948204108.db2.gz AESNZCFVHGLLGL-GFCCVEGCSA-N 1 0 324.385 0.234 20 5 DCBDRO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001327002671 948361063 /nfs/dbraw/zinc/36/10/63/948361063.db2.gz KCKYCEQEPHKWSH-KBPBESRZSA-N 1 0 323.349 0.201 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](CNC(=O)C(F)F)C1 ZINC001488701829 949127933 /nfs/dbraw/zinc/12/79/33/949127933.db2.gz OZXYZRHREHOFMX-OCAPTIKFSA-N 1 0 317.296 0.578 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329025065 949298048 /nfs/dbraw/zinc/29/80/48/949298048.db2.gz XATIJVZAXBOFJE-UHFFFAOYSA-N 1 0 306.322 0.115 20 5 DCBDRO COc1cc(C(=O)NOCC[NH+](C)C)c([N+](=O)[O-])cc1F ZINC001329291041 949486162 /nfs/dbraw/zinc/48/61/62/949486162.db2.gz JYIBOPDORDVHGV-UHFFFAOYSA-N 1 0 301.274 0.966 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001265533228 949745550 /nfs/dbraw/zinc/74/55/50/949745550.db2.gz VAGAZRALUVRWGD-PHIMTYICSA-N 1 0 306.322 0.207 20 5 DCBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001576214232 950662284 /nfs/dbraw/zinc/66/22/84/950662284.db2.gz NOWQFGSMGQEUNL-NOZJJQNGSA-N 1 0 318.337 0.978 20 5 DCBDRO C[NH+](C)CCONC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001330820558 950686019 /nfs/dbraw/zinc/68/60/19/950686019.db2.gz XEQHTYZSAFCCOX-UHFFFAOYSA-N 1 0 311.294 0.589 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001331949043 951404889 /nfs/dbraw/zinc/40/48/89/951404889.db2.gz NJXCOVBFFNNHJY-WDEREUQCSA-N 1 0 322.365 0.934 20 5 DCBDRO CON1CC[C@@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC001333038785 951890820 /nfs/dbraw/zinc/89/08/20/951890820.db2.gz VUVKLXBMNDKOBP-LLVKDONJSA-N 1 0 309.326 0.591 20 5 DCBDRO COc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC001335384279 952529421 /nfs/dbraw/zinc/52/94/21/952529421.db2.gz ZPCVFIMGHZVIIN-CYBMUJFWSA-N 1 0 321.337 0.388 20 5 DCBDRO C[C@@H](c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001338056528 952955848 /nfs/dbraw/zinc/95/58/48/952955848.db2.gz KWZDAKKXVQFKPH-NWDGAFQWSA-N 1 0 324.385 0.311 20 5 DCBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341368424 953226016 /nfs/dbraw/zinc/22/60/16/953226016.db2.gz MWWJQEAVDUDADO-UBHSHLNASA-N 1 0 317.345 0.945 20 5 DCBDRO O=C(C[C@]1(O)CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001343258227 953332097 /nfs/dbraw/zinc/33/20/97/953332097.db2.gz PUIIMYMGDUPBLS-MRXNPFEDSA-N 1 0 319.361 0.984 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC001343337863 953338010 /nfs/dbraw/zinc/33/80/10/953338010.db2.gz WWBPUUKAJAXJKV-SMDDNHRTSA-N 1 0 306.366 0.984 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCOCC[NH2+]C ZINC001349608557 954815916 /nfs/dbraw/zinc/81/59/16/954815916.db2.gz PPTVESLJJMABHA-UHFFFAOYSA-N 1 0 310.354 0.945 20 5 DCBDRO C[C@H](c1nnc(N2CCN([C@@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001355415605 956645429 /nfs/dbraw/zinc/64/54/29/956645429.db2.gz KOHHEZDDRCPRDN-GHMZBOCLSA-N 1 0 310.358 0.064 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1COCC[NH2+]1 ZINC001357939411 957405063 /nfs/dbraw/zinc/40/50/63/957405063.db2.gz UDVDKTVWTASDSC-LBPRGKRZSA-N 1 0 311.313 0.771 20 5 DCBDRO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001293743922 957422712 /nfs/dbraw/zinc/42/27/12/957422712.db2.gz FPFKVPCNAPNOHO-HZMBPMFUSA-N 1 0 321.381 0.541 20 5 DCBDRO Cc1c(C(=O)N2CC(N3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC001339547771 960207605 /nfs/dbraw/zinc/20/76/05/960207605.db2.gz FRVLSZQTAZIZKZ-UHFFFAOYSA-N 1 0 318.377 0.975 20 5 DCBDRO Cc1cncc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001316823920 960394121 /nfs/dbraw/zinc/39/41/21/960394121.db2.gz RTFNYYNWJMNZAQ-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001528679763 1014381511 /nfs/dbraw/zinc/38/15/11/1014381511.db2.gz IVOBNTFDZGYCOT-OAHLLOKOSA-N 1 0 323.349 0.742 20 5 DCBDRO CC[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001529093247 1014494297 /nfs/dbraw/zinc/49/42/97/1014494297.db2.gz FBVHONOLCHSDIP-UHFFFAOYSA-N 1 0 319.365 0.452 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001526564568 1015302610 /nfs/dbraw/zinc/30/26/10/1015302610.db2.gz IPVZBOMYSPPXRS-NEPJUHHUSA-N 1 0 307.354 0.652 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001471214613 1016544933 /nfs/dbraw/zinc/54/49/33/1016544933.db2.gz JUMICWTUKGDRJK-ONGXEEELSA-N 1 0 305.338 0.738 20 5 DCBDRO NC(=O)Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC001560319888 1012446821 /nfs/dbraw/zinc/44/68/21/1012446821.db2.gz DERRAMXZAVMRES-UHFFFAOYSA-N 1 0 304.310 0.004 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CN(c4ccncn4)C3)C2)c1 ZINC001560977211 1012461084 /nfs/dbraw/zinc/46/10/84/1012461084.db2.gz CDPJRVNHURCAEI-UHFFFAOYSA-N 1 0 315.337 0.763 20 5 DCBDRO NC(=O)C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC001459928085 1012834076 /nfs/dbraw/zinc/83/40/76/1012834076.db2.gz YOKYMOUDIKDMIT-LBPRGKRZSA-N 1 0 308.338 0.750 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000261633461 290799426 /nfs/dbraw/zinc/79/94/26/290799426.db2.gz CPLSACLNLYEMIP-VIFPVBQESA-N 1 0 322.321 0.044 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272613504 210014091 /nfs/dbraw/zinc/01/40/91/210014091.db2.gz WSQFPLCXLHVTFJ-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000280071026 215354813 /nfs/dbraw/zinc/35/48/13/215354813.db2.gz UPYFSXFFMUTEAX-AOOOYVTPSA-N 1 0 309.297 0.791 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000331746437 234074892 /nfs/dbraw/zinc/07/48/92/234074892.db2.gz ZHGZJIJXNYAQNL-HIFRSBDPSA-N 1 0 324.381 0.901 20 5 DCBDRO O=C1CCCN1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174848372 198393341 /nfs/dbraw/zinc/39/33/41/198393341.db2.gz PUHORHGMUWTQAG-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO NC(=O)c1cccc(NC[C@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000339969073 283386178 /nfs/dbraw/zinc/38/61/78/283386178.db2.gz MWUCCGVRGKKBOE-NSHDSACASA-N 1 0 322.365 0.952 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000566114629 291271190 /nfs/dbraw/zinc/27/11/90/291271190.db2.gz CSVFHWYKKNQKOB-AAEUAGOBSA-N 1 0 310.354 0.844 20 5 DCBDRO [NH3+]CC1(O)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000566208657 291282446 /nfs/dbraw/zinc/28/24/46/291282446.db2.gz KKJGJJCTHJWTDJ-UHFFFAOYSA-N 1 0 309.322 0.286 20 5 DCBDRO CCOc1cccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000566490495 291307473 /nfs/dbraw/zinc/30/74/73/291307473.db2.gz KBMXDAYOIUOPJX-MNOVXSKESA-N 1 0 320.349 0.742 20 5 DCBDRO [NH3+]C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420455407 240034886 /nfs/dbraw/zinc/03/48/86/240034886.db2.gz NFJJMUMWLXWCEV-GFCCVEGCSA-N 1 0 313.379 0.794 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000479772153 241075916 /nfs/dbraw/zinc/07/59/16/241075916.db2.gz OEWZTSJKUFVFRQ-ZKCHVHJHSA-N 1 0 301.324 0.371 20 5 DCBDRO CC(=O)c1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569021433 291458841 /nfs/dbraw/zinc/45/88/41/291458841.db2.gz YSPHTQNQBSTVDX-WCQYABFASA-N 1 0 318.333 0.546 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572603617 291578310 /nfs/dbraw/zinc/57/83/10/291578310.db2.gz QBBNFZNYXBVHRX-LLVKDONJSA-N 1 0 319.365 0.297 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000572846169 291593263 /nfs/dbraw/zinc/59/32/63/291593263.db2.gz QENSCXQWPRWZCY-UHFFFAOYSA-N 1 0 323.397 0.618 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000573088301 291609287 /nfs/dbraw/zinc/60/92/87/291609287.db2.gz BEZWDUZNNFTQGI-UHFFFAOYSA-N 1 0 308.338 0.958 20 5 DCBDRO CCN1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676560 291647904 /nfs/dbraw/zinc/64/79/04/291647904.db2.gz GJUJOLLCFOHOER-VXGBXAGGSA-N 1 0 323.349 0.545 20 5 DCBDRO CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000573846213 291658692 /nfs/dbraw/zinc/65/86/92/291658692.db2.gz AMDCSHZFDYOCRW-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO COc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000272990504 210370595 /nfs/dbraw/zinc/37/05/95/210370595.db2.gz WCYUVGPFVPUZKL-VIFPVBQESA-N 1 0 324.337 0.608 20 5 DCBDRO C[N@H+](CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C1CC1 ZINC000272959395 210343100 /nfs/dbraw/zinc/34/31/00/210343100.db2.gz ZLFQQUHFZDURNO-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000349690933 254292780 /nfs/dbraw/zinc/29/27/80/254292780.db2.gz HAZUMUOZHHGESM-GFCCVEGCSA-N 1 0 323.397 0.689 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CCOC1C[NH2+]C1 ZINC000348989060 254267978 /nfs/dbraw/zinc/26/79/78/254267978.db2.gz JAENACZKGKWDIZ-UHFFFAOYSA-N 1 0 309.322 0.598 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000349940942 254305115 /nfs/dbraw/zinc/30/51/15/254305115.db2.gz VEICORYVTKUZEN-SNVBAGLBSA-N 1 0 323.353 0.248 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000349940952 254305324 /nfs/dbraw/zinc/30/53/24/254305324.db2.gz VHMPVQFXVXKAQT-SECBINFHSA-N 1 0 322.321 0.174 20 5 DCBDRO C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351525489 254343453 /nfs/dbraw/zinc/34/34/53/254343453.db2.gz SVKQANCVBDEYNZ-LLVKDONJSA-N 1 0 324.312 0.835 20 5 DCBDRO Cc1[nH]nc(C(=O)N(C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000330721764 533658827 /nfs/dbraw/zinc/65/88/27/533658827.db2.gz XUSMOLNLWMRRDG-UHFFFAOYSA-N 1 0 324.385 0.336 20 5 DCBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](CC3(CO)COC3)C2)nc1 ZINC000089128436 395708433 /nfs/dbraw/zinc/70/84/33/395708433.db2.gz UELONQSBWIALTA-LLVKDONJSA-N 1 0 308.338 0.485 20 5 DCBDRO CC[NH+]1CCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000029587294 395698684 /nfs/dbraw/zinc/69/86/84/395698684.db2.gz ZMHJSCCFEJPLBH-UHFFFAOYSA-N 1 0 321.381 0.743 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)C1 ZINC000114485912 395835333 /nfs/dbraw/zinc/83/53/33/395835333.db2.gz FBDGARZAWDZJDU-LLVKDONJSA-N 1 0 309.322 0.999 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000050244129 395838152 /nfs/dbraw/zinc/83/81/52/395838152.db2.gz DXYFKMQNSCMKAH-MRVPVSSYSA-N 1 0 300.340 0.040 20 5 DCBDRO C[C@H](CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000047639032 395798625 /nfs/dbraw/zinc/79/86/25/395798625.db2.gz LESJGLYLFCRBMX-MNOVXSKESA-N 1 0 322.365 0.779 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000270699911 395799502 /nfs/dbraw/zinc/79/95/02/395799502.db2.gz AYYUZMUJEFYZBB-UHFFFAOYSA-N 1 0 314.367 0.253 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000111010091 395802361 /nfs/dbraw/zinc/80/23/61/395802361.db2.gz SBZHUHXIANNQEZ-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000123208054 395892660 /nfs/dbraw/zinc/89/26/60/395892660.db2.gz WTDHSWNZJAYSAN-OAHLLOKOSA-N 1 0 324.381 0.749 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1COCCN1 ZINC000235762071 395893086 /nfs/dbraw/zinc/89/30/86/395893086.db2.gz BFIOVVKAGUBRMJ-JTQLQIEISA-N 1 0 315.351 0.170 20 5 DCBDRO C[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000272478768 395894181 /nfs/dbraw/zinc/89/41/81/395894181.db2.gz QKKBGTNCHFSGDS-NSHDSACASA-N 1 0 321.381 0.543 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(N)=O ZINC000052831007 395870867 /nfs/dbraw/zinc/87/08/67/395870867.db2.gz GLUFADXZGWGDLL-UHFFFAOYSA-N 1 0 310.310 0.349 20 5 DCBDRO C[NH+](C)C(C)(C)CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000134868347 395935388 /nfs/dbraw/zinc/93/53/88/395935388.db2.gz CWVRDHCPDBRMTQ-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000067511366 396027686 /nfs/dbraw/zinc/02/76/86/396027686.db2.gz UFPLIELTQLXZMX-QPJJXVBHSA-N 1 0 318.377 0.972 20 5 DCBDRO C[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+](C)C ZINC000277158899 396052995 /nfs/dbraw/zinc/05/29/95/396052995.db2.gz SKDINNKDRICCLD-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261751860 396062166 /nfs/dbraw/zinc/06/21/66/396062166.db2.gz TXSTUXZTSUYNFB-NSHDSACASA-N 1 0 310.379 0.776 20 5 DCBDRO COC(=O)COc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000262047143 396093664 /nfs/dbraw/zinc/09/36/64/396093664.db2.gz PWNGMNHEBVCCFU-JQWIXIFHSA-N 1 0 323.349 0.926 20 5 DCBDRO COC[C@@](C)(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000069911632 396094419 /nfs/dbraw/zinc/09/44/19/396094419.db2.gz PJCUKGBAXNAVQU-AWEZNQCLSA-N 1 0 312.322 0.853 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000171194681 396109708 /nfs/dbraw/zinc/10/97/08/396109708.db2.gz NHKYPHBVHXIBJF-UHFFFAOYSA-N 1 0 310.354 0.972 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3C[C@@H](O)[C@@H](O)C3)o2)c1 ZINC000278543571 396130328 /nfs/dbraw/zinc/13/03/28/396130328.db2.gz AKRARCMHEITYBU-BETUJISGSA-N 1 0 319.317 0.830 20 5 DCBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261872380 396074522 /nfs/dbraw/zinc/07/45/22/396074522.db2.gz LKXPAIAKWQGIKP-LBPRGKRZSA-N 1 0 322.340 0.854 20 5 DCBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000178544854 396198175 /nfs/dbraw/zinc/19/81/75/396198175.db2.gz VYAIVPGXOXULAI-AAEUAGOBSA-N 1 0 307.354 0.734 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264450018 396281121 /nfs/dbraw/zinc/28/11/21/396281121.db2.gz PKKRYCJYDCGPDU-LBPRGKRZSA-N 1 0 306.366 0.961 20 5 DCBDRO COC(=O)C[C@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179152922 396223225 /nfs/dbraw/zinc/22/32/25/396223225.db2.gz FCLGNOYTVILFRD-PWSUYJOCSA-N 1 0 312.326 0.180 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCO)CC2)c2nonc21 ZINC000263714103 396225936 /nfs/dbraw/zinc/22/59/36/396225936.db2.gz AFABANQLTNWUCC-UHFFFAOYSA-N 1 0 307.310 0.635 20 5 DCBDRO COc1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000080891257 396288325 /nfs/dbraw/zinc/28/83/25/396288325.db2.gz MGLPVPJRQVHYMH-UHFFFAOYSA-N 1 0 323.349 0.790 20 5 DCBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000285963650 396366137 /nfs/dbraw/zinc/36/61/37/396366137.db2.gz GZSJZSOMMBRIKU-BFVZDQMLSA-N 1 0 308.338 0.259 20 5 DCBDRO C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@H](C)[NH3+] ZINC000192118677 396430134 /nfs/dbraw/zinc/43/01/34/396430134.db2.gz FNKJEPNVPQRJFM-VWYCJHECSA-N 1 0 307.354 0.986 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000580775496 396499213 /nfs/dbraw/zinc/49/92/13/396499213.db2.gz WRZYGTAPWCOYNV-LLVKDONJSA-N 1 0 319.365 0.297 20 5 DCBDRO CC(C)c1n[nH]c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000269889589 396453847 /nfs/dbraw/zinc/45/38/47/396453847.db2.gz KCIJSMFLEKGJEV-ZDUSSCGKSA-N 1 0 313.358 0.484 20 5 DCBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290721750 396470955 /nfs/dbraw/zinc/47/09/55/396470955.db2.gz ZAKSUSSRDSSNPP-JTQLQIEISA-N 1 0 307.354 0.867 20 5 DCBDRO C[C@@H](CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000594817958 396521013 /nfs/dbraw/zinc/52/10/13/396521013.db2.gz WPVXUVRCCVNGPH-VIFPVBQESA-N 1 0 302.356 0.608 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000581359234 396547563 /nfs/dbraw/zinc/54/75/63/396547563.db2.gz CNWCLSNRSVKYJL-UHFFFAOYSA-N 1 0 308.338 0.979 20 5 DCBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000292572620 396557245 /nfs/dbraw/zinc/55/72/45/396557245.db2.gz LJBSLXURLBCKEU-CQSZACIVSA-N 1 0 322.369 0.529 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000581548879 396564556 /nfs/dbraw/zinc/56/45/56/396564556.db2.gz ZDXJHWILOUAYKD-AAEUAGOBSA-N 1 0 324.337 0.186 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595273887 396575734 /nfs/dbraw/zinc/57/57/34/396575734.db2.gz MUNFZFDGKDOQGX-QMMMGPOBSA-N 1 0 306.326 0.878 20 5 DCBDRO CNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293975451 396645830 /nfs/dbraw/zinc/64/58/30/396645830.db2.gz AZOSSIVBPANTAP-QMMMGPOBSA-N 1 0 302.356 0.377 20 5 DCBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H]1C ZINC000581884303 396590511 /nfs/dbraw/zinc/59/05/11/396590511.db2.gz DMXLSVFPEDADDJ-BDAKNGLRSA-N 1 0 300.340 0.361 20 5 DCBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586797794 396666281 /nfs/dbraw/zinc/66/62/81/396666281.db2.gz DEAAAVCQGVPYML-SNVBAGLBSA-N 1 0 309.326 0.301 20 5 DCBDRO C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO[C@@H]1C1CC1 ZINC000563011746 396693143 /nfs/dbraw/zinc/69/31/43/396693143.db2.gz OTHBVJTXEKJEIM-RBSFLKMASA-N 1 0 324.381 0.947 20 5 DCBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588861851 396695945 /nfs/dbraw/zinc/69/59/45/396695945.db2.gz VSDNUKXGBFMSFU-KBPBESRZSA-N 1 0 305.334 0.876 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1 ZINC000588870387 396696607 /nfs/dbraw/zinc/69/66/07/396696607.db2.gz YXXUYTQFRZVLIN-NSHDSACASA-N 1 0 323.349 0.790 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595961448 396697465 /nfs/dbraw/zinc/69/74/65/396697465.db2.gz LWPJQUMNRDZIMR-SNVBAGLBSA-N 1 0 322.365 0.909 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000595984584 396703307 /nfs/dbraw/zinc/70/33/07/396703307.db2.gz WCIVTCQHHNKETA-VHSXEESVSA-N 1 0 308.338 0.437 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595992481 396705058 /nfs/dbraw/zinc/70/50/58/396705058.db2.gz RZYHUFUEQPZEPX-OAHLLOKOSA-N 1 0 320.349 0.501 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)c(F)c1N1CCOCC1 ZINC000596016307 396708753 /nfs/dbraw/zinc/70/87/53/396708753.db2.gz PNQAOESQSSHXHC-UHFFFAOYSA-N 1 0 310.329 0.980 20 5 DCBDRO NC(=O)c1ccnc(N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000589573799 396718468 /nfs/dbraw/zinc/71/84/68/396718468.db2.gz KKGNXKWNOGWGOQ-JTQLQIEISA-N 1 0 305.338 0.985 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596129947 396722145 /nfs/dbraw/zinc/72/21/45/396722145.db2.gz SWVLLVXSDJKWSV-OAHLLOKOSA-N 1 0 320.349 0.964 20 5 DCBDRO CC(C)[C@@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315728918 396790997 /nfs/dbraw/zinc/79/09/97/396790997.db2.gz JSCKYYOUEBQAIK-CYBMUJFWSA-N 1 0 307.354 0.622 20 5 DCBDRO CC[NH+](CC)[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304301414 396728841 /nfs/dbraw/zinc/72/88/41/396728841.db2.gz HYWRSDRPRPTDOL-TZMCWYRMSA-N 1 0 311.386 0.568 20 5 DCBDRO NC(=O)c1cc(N[C@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000596250991 396743833 /nfs/dbraw/zinc/74/38/33/396743833.db2.gz WVIOOICAZFUFRG-LBPRGKRZSA-N 1 0 322.365 0.952 20 5 DCBDRO C[N@@H+](C[C@@H](O)C(F)(F)F)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305780686 396752994 /nfs/dbraw/zinc/75/29/94/396752994.db2.gz TUNMGOXWWPZBAB-DTWKUNHWSA-N 1 0 312.248 0.007 20 5 DCBDRO C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858559 396754517 /nfs/dbraw/zinc/75/45/17/396754517.db2.gz WUFKOHLZLSNBEM-GWCFXTLKSA-N 1 0 308.342 0.579 20 5 DCBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000590751866 396832972 /nfs/dbraw/zinc/83/29/72/396832972.db2.gz JITRDCQLYSKOSY-NEPJUHHUSA-N 1 0 309.322 0.688 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600532971 396885384 /nfs/dbraw/zinc/88/53/84/396885384.db2.gz IYFABBWWGMNMQU-LLVKDONJSA-N 1 0 309.322 0.400 20 5 DCBDRO C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000611559064 396886378 /nfs/dbraw/zinc/88/63/78/396886378.db2.gz CDKQJGIKGHRHKD-NOZJJQNGSA-N 1 0 309.322 0.749 20 5 DCBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COCCN1 ZINC000600679089 396915664 /nfs/dbraw/zinc/91/56/64/396915664.db2.gz ZIIDPZGBCBGABM-AAEUAGOBSA-N 1 0 322.365 0.890 20 5 DCBDRO CN(CCOCC[NH3+])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600734553 396933701 /nfs/dbraw/zinc/93/37/01/396933701.db2.gz GUFADUDDCOFTQB-CQSZACIVSA-N 1 0 322.365 0.607 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000612030335 396984042 /nfs/dbraw/zinc/98/40/42/396984042.db2.gz CWRAXSFRDAWKBT-XQQFMLRXSA-N 1 0 307.350 0.486 20 5 DCBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cn1cccn1 ZINC000591728096 396992367 /nfs/dbraw/zinc/99/23/67/396992367.db2.gz SHTCZZLQQBHTRM-YPMHNXCESA-N 1 0 308.342 0.275 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H](N2CCOCC2)C1 ZINC000597708651 397071119 /nfs/dbraw/zinc/07/11/19/397071119.db2.gz ZFPUSRBBIQAGPB-SNVBAGLBSA-N 1 0 309.326 0.255 20 5 DCBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C2 ZINC000597714128 397072329 /nfs/dbraw/zinc/07/23/29/397072329.db2.gz GRHZALNVNHAHAI-CQSZACIVSA-N 1 0 307.354 0.736 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000619252008 397104180 /nfs/dbraw/zinc/10/41/80/397104180.db2.gz XXRFGTCOPUPNGI-UHFFFAOYSA-N 1 0 307.354 0.654 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597653791 397046081 /nfs/dbraw/zinc/04/60/81/397046081.db2.gz MJMYOCCOADRUDN-SNVBAGLBSA-N 1 0 307.306 0.993 20 5 DCBDRO C[NH+](C)CCCS(=O)(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000601322018 397055495 /nfs/dbraw/zinc/05/54/95/397055495.db2.gz XFYQEWJJNIKKEC-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000597679497 397059950 /nfs/dbraw/zinc/05/99/50/397059950.db2.gz YQNHDJBIXABLOL-SNVBAGLBSA-N 1 0 323.353 0.643 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353214608 397144218 /nfs/dbraw/zinc/14/42/18/397144218.db2.gz GIKVWKYPYZPKSD-SECBINFHSA-N 1 0 317.371 0.313 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000592306643 397148065 /nfs/dbraw/zinc/14/80/65/397148065.db2.gz DMLBVBJUNHTUKU-GXFFZTMASA-N 1 0 309.322 0.548 20 5 DCBDRO CNc1ccc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592310772 397150834 /nfs/dbraw/zinc/15/08/34/397150834.db2.gz YNFSDBNRPMYHOT-ZANVPECISA-N 1 0 308.338 0.825 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592474861 397185415 /nfs/dbraw/zinc/18/54/15/397185415.db2.gz GXLUFASXZIAENB-SMDDNHRTSA-N 1 0 322.365 0.890 20 5 DCBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000598868400 397302464 /nfs/dbraw/zinc/30/24/64/397302464.db2.gz SUABZXZDLDCUFW-UHFFFAOYSA-N 1 0 322.365 0.687 20 5 DCBDRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915476 397307610 /nfs/dbraw/zinc/30/76/10/397307610.db2.gz MOFGJCRVUFTGAP-UHFFFAOYSA-N 1 0 306.322 0.792 20 5 DCBDRO C[N@H+](CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])C1CC1 ZINC000598589510 397252158 /nfs/dbraw/zinc/25/21/58/397252158.db2.gz SIGQHNGOXNFTCX-UHFFFAOYSA-N 1 0 322.369 0.728 20 5 DCBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000599108260 397338933 /nfs/dbraw/zinc/33/89/33/397338933.db2.gz MMOPHPWTIXVKON-UHFFFAOYSA-N 1 0 322.413 0.803 20 5 DCBDRO COCCOC[C@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578128016 397392853 /nfs/dbraw/zinc/39/28/53/397392853.db2.gz ZXHIIAYQAZRVMV-LLVKDONJSA-N 1 0 324.337 0.585 20 5 DCBDRO O=C1N=NCN1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000578664308 397468739 /nfs/dbraw/zinc/46/87/39/397468739.db2.gz JHFCMZYIUUJWII-UHFFFAOYSA-N 1 0 307.314 0.426 20 5 DCBDRO CC(C)[C@@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000488023607 397483893 /nfs/dbraw/zinc/48/38/93/397483893.db2.gz IWAMTZHVTMPGRM-KBPBESRZSA-N 1 0 311.386 0.424 20 5 DCBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1[N+](=O)[O-] ZINC000593914875 397478415 /nfs/dbraw/zinc/47/84/15/397478415.db2.gz OGCZQHWWMLLLEC-HZMBPMFUSA-N 1 0 307.354 0.838 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](CO)COC(C)C ZINC000602818518 397494569 /nfs/dbraw/zinc/49/45/69/397494569.db2.gz FJVBALUOUFCVRJ-LBPRGKRZSA-N 1 0 300.359 0.817 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000602789501 397486238 /nfs/dbraw/zinc/48/62/38/397486238.db2.gz WIEYOEQCVQJOPZ-CHWSQXEVSA-N 1 0 310.354 0.980 20 5 DCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000609280446 397768418 /nfs/dbraw/zinc/76/84/18/397768418.db2.gz PNNWVPFTSROPSO-SNVBAGLBSA-N 1 0 324.337 0.536 20 5 DCBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000609624184 397787193 /nfs/dbraw/zinc/78/71/93/397787193.db2.gz ITWITFAELXAIIE-UHFFFAOYSA-N 1 0 309.370 0.680 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000070447672 158047849 /nfs/dbraw/zinc/04/78/49/158047849.db2.gz ZTQLLJRCZYRJNM-SNVBAGLBSA-N 1 0 317.367 0.865 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000123149066 158227436 /nfs/dbraw/zinc/22/74/36/158227436.db2.gz KNFRQQJEGQRERX-MRVPVSSYSA-N 1 0 301.324 0.244 20 5 DCBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1 ZINC000126137277 158262599 /nfs/dbraw/zinc/26/25/99/158262599.db2.gz RWKNVFBAQLRPMI-LBPRGKRZSA-N 1 0 324.385 0.813 20 5 DCBDRO CC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])c(C)cc2=O)CC1 ZINC000128620145 158282788 /nfs/dbraw/zinc/28/27/88/158282788.db2.gz JKZPDHBVXHIOGT-UHFFFAOYSA-N 1 0 322.365 0.665 20 5 DCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000165639057 158364503 /nfs/dbraw/zinc/36/45/03/158364503.db2.gz VUCVMVSVOJHLNW-MRVPVSSYSA-N 1 0 319.314 0.082 20 5 DCBDRO O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000169193451 158373237 /nfs/dbraw/zinc/37/32/37/158373237.db2.gz VXORHFVHXOVXPA-IINYFYTJSA-N 1 0 323.328 0.704 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000193316033 158582476 /nfs/dbraw/zinc/58/24/76/158582476.db2.gz WMLPUYUSPGWOCL-UHFFFAOYSA-N 1 0 321.330 0.760 20 5 DCBDRO C[NH2+]CCN(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000263272828 158867097 /nfs/dbraw/zinc/86/70/97/158867097.db2.gz XLQILZJCBYXSEX-UHFFFAOYSA-N 1 0 309.322 0.586 20 5 DCBDRO CNC(=O)c1ccc(NCCOCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000318776749 159007125 /nfs/dbraw/zinc/00/71/25/159007125.db2.gz CSLILMXCQPAKBI-UHFFFAOYSA-N 1 0 310.354 0.945 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000323071827 159012268 /nfs/dbraw/zinc/01/22/68/159012268.db2.gz ONDBGLYCFMFMQU-ONGXEEELSA-N 1 0 321.337 0.165 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000324249445 159013210 /nfs/dbraw/zinc/01/32/10/159013210.db2.gz KBKOUSATVPCJRR-LBPRGKRZSA-N 1 0 318.333 0.760 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCNC1=O ZINC000340223284 159221157 /nfs/dbraw/zinc/22/11/57/159221157.db2.gz QAEIWGRPMWOBHI-LBPRGKRZSA-N 1 0 306.322 0.744 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@H]21 ZINC000374622147 159743375 /nfs/dbraw/zinc/74/33/75/159743375.db2.gz KKCFQVDBATZKNC-KGYLQXTDSA-N 1 0 320.349 0.342 20 5 DCBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@H]21 ZINC000408350117 160089501 /nfs/dbraw/zinc/08/95/01/160089501.db2.gz XYBLTODZLJDTKB-WDEREUQCSA-N 1 0 308.342 0.129 20 5 DCBDRO C[NH+](C)[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000267111689 287130403 /nfs/dbraw/zinc/13/04/03/287130403.db2.gz NPLSFJLSZLXQDO-GFCCVEGCSA-N 1 0 313.383 0.345 20 5 DCBDRO COc1ccc(NC(=O)CN2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000420339526 287292104 /nfs/dbraw/zinc/29/21/04/287292104.db2.gz LYDBEYPQRQBVHM-YGRLFVJLSA-N 1 0 320.349 0.836 20 5 DCBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH3+] ZINC000420383212 287294306 /nfs/dbraw/zinc/29/43/06/287294306.db2.gz SNHQYXJGTMDOGB-ZWNOBZJWSA-N 1 0 304.350 0.763 20 5 DCBDRO CNC(=O)N[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000342364024 415154885 /nfs/dbraw/zinc/15/48/85/415154885.db2.gz PCBFWHTVNCFTGY-NSHDSACASA-N 1 0 308.338 0.977 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332122322 415255519 /nfs/dbraw/zinc/25/55/19/415255519.db2.gz WXXVKJYALXATMQ-LLVKDONJSA-N 1 0 323.353 0.123 20 5 DCBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1 ZINC000332139850 415264583 /nfs/dbraw/zinc/26/45/83/415264583.db2.gz NBGMJDARQXLHRY-LBPRGKRZSA-N 1 0 322.369 0.377 20 5 DCBDRO COC(=O)CC[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000342749030 415278688 /nfs/dbraw/zinc/27/86/88/415278688.db2.gz KQEFTZZHBYYQAG-LBPRGKRZSA-N 1 0 324.337 0.403 20 5 DCBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2COC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352820523 415339825 /nfs/dbraw/zinc/33/98/25/415339825.db2.gz YXZAFDBSSAJBGB-KBPBESRZSA-N 1 0 323.349 0.923 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353021375 415409168 /nfs/dbraw/zinc/40/91/68/415409168.db2.gz JTDVFVVYBUUGCW-GXSJLCMTSA-N 1 0 320.296 0.713 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353221103 415479045 /nfs/dbraw/zinc/47/90/45/415479045.db2.gz WVRZMKJFLOXWRJ-BDAKNGLRSA-N 1 0 317.371 0.217 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])n1 ZINC000353216757 415480015 /nfs/dbraw/zinc/48/00/15/415480015.db2.gz LAFZKVBNSPONFG-QMMMGPOBSA-N 1 0 305.360 0.073 20 5 DCBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090589671 415530913 /nfs/dbraw/zinc/53/09/13/415530913.db2.gz KXNCJSYCBPEXNV-ZDUSSCGKSA-N 1 0 322.365 0.557 20 5 DCBDRO COc1ccc(OCC[N@H+](CCO)C[C@@H](C)O)c([N+](=O)[O-])c1 ZINC000289925763 415739412 /nfs/dbraw/zinc/73/94/12/415739412.db2.gz UOIATEBNFXLWEQ-LLVKDONJSA-N 1 0 314.338 0.657 20 5 DCBDRO C[NH+](C)CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1 ZINC000344136591 415846384 /nfs/dbraw/zinc/84/63/84/415846384.db2.gz GUPFNCPIFJOKAU-UHFFFAOYSA-N 1 0 324.385 0.909 20 5 DCBDRO COc1cc(OCC(=O)N2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000125061307 415859050 /nfs/dbraw/zinc/85/90/50/415859050.db2.gz QCVUPLYMCPRCOF-SNVBAGLBSA-N 1 0 309.322 0.803 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000133132691 415941451 /nfs/dbraw/zinc/94/14/51/415941451.db2.gz FCLLDFPJRDEHPP-SNVBAGLBSA-N 1 0 315.351 0.619 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000358058009 416180385 /nfs/dbraw/zinc/18/03/85/416180385.db2.gz PXNHHPKYRWXBCY-AWEZNQCLSA-N 1 0 308.338 0.190 20 5 DCBDRO C[N@H+](CCCN1C(=O)CNC1=O)Cc1ccccc1[N+](=O)[O-] ZINC000193357155 416316346 /nfs/dbraw/zinc/31/63/46/416316346.db2.gz TYRYMUFCRPMDEW-UHFFFAOYSA-N 1 0 306.322 0.969 20 5 DCBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331460691 416316504 /nfs/dbraw/zinc/31/65/04/416316504.db2.gz YWXFPHCGXVSAEG-QWRGUYRKSA-N 1 0 308.342 0.272 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415731186 416352365 /nfs/dbraw/zinc/35/23/65/416352365.db2.gz FHENHVURDZMNOS-UHFFFAOYSA-N 1 0 306.322 0.580 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418864702 416392444 /nfs/dbraw/zinc/39/24/44/416392444.db2.gz IODHMECFUFJDGE-LLVKDONJSA-N 1 0 320.349 0.074 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000419755193 416408778 /nfs/dbraw/zinc/40/87/78/416408778.db2.gz CKOMCRSVUVDZHN-GFCCVEGCSA-N 1 0 320.349 0.469 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423309750 416489377 /nfs/dbraw/zinc/48/93/77/416489377.db2.gz QOVZMLLMQXEFKJ-GFCCVEGCSA-N 1 0 318.333 0.039 20 5 DCBDRO CC[C@@H]([NH3+])CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420451752 416418852 /nfs/dbraw/zinc/41/88/52/416418852.db2.gz ZQWZZXNZULSVHO-LLVKDONJSA-N 1 0 301.368 0.794 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361112944 416421332 /nfs/dbraw/zinc/42/13/32/416421332.db2.gz WMJWJFKHEPAHKN-NWDGAFQWSA-N 1 0 307.354 0.604 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361112198 416421515 /nfs/dbraw/zinc/42/15/15/416421515.db2.gz UFIUBLLPBQWGKB-CHWSQXEVSA-N 1 0 320.349 0.261 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361112199 416421540 /nfs/dbraw/zinc/42/15/40/416421540.db2.gz UFIUBLLPBQWGKB-OLZOCXBDSA-N 1 0 320.349 0.261 20 5 DCBDRO COC[C@@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000422940634 416451211 /nfs/dbraw/zinc/45/12/11/416451211.db2.gz SZNWXKKWCLFENK-OAHLLOKOSA-N 1 0 322.365 0.749 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@H]2c2ccco2)c1 ZINC000361944073 416527893 /nfs/dbraw/zinc/52/78/93/416527893.db2.gz OBXOKDYBDMGPAM-OLZOCXBDSA-N 1 0 322.321 0.819 20 5 DCBDRO COc1cc(C(=O)Nc2nn(C)c(C)c2C[NH3+])ccc1[N+](=O)[O-] ZINC000595959110 416573159 /nfs/dbraw/zinc/57/31/59/416573159.db2.gz BDFYVGYNIVYLPD-UHFFFAOYSA-N 1 0 319.321 1.356 20 5 DCBDRO Nc1nccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000539415649 416579406 /nfs/dbraw/zinc/57/94/06/416579406.db2.gz JKZSLGITHBSGTE-SECBINFHSA-N 1 0 305.338 0.786 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1[N+](=O)[O-] ZINC000424202486 416625611 /nfs/dbraw/zinc/62/56/11/416625611.db2.gz PRQQJYKVKAGUQZ-ZYHUDNBSSA-N 1 0 310.306 0.760 20 5 DCBDRO [NH3+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000440359015 416632789 /nfs/dbraw/zinc/63/27/89/416632789.db2.gz QATMQJXVYKDCDB-UHFFFAOYSA-N 1 0 324.156 0.594 20 5 DCBDRO CC[NH+](CC)CCOCCNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000543609161 416642260 /nfs/dbraw/zinc/64/22/60/416642260.db2.gz NGIZQHGMAHHARR-UHFFFAOYSA-N 1 0 313.358 0.417 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000557634672 416744811 /nfs/dbraw/zinc/74/48/11/416744811.db2.gz OINBCKGSZREQLX-NSHDSACASA-N 1 0 321.381 1.445 20 5 DCBDRO Cc1nccn1CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000557549659 416738671 /nfs/dbraw/zinc/73/86/71/416738671.db2.gz SWOZHHUGVMZIBX-UHFFFAOYSA-N 1 0 304.310 0.897 20 5 DCBDRO CC(C)Oc1nc(NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000563355789 416879947 /nfs/dbraw/zinc/87/99/47/416879947.db2.gz WKHAHOBLCSNGDC-LLVKDONJSA-N 1 0 309.370 1.093 20 5 DCBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447844157 417032952 /nfs/dbraw/zinc/03/29/52/417032952.db2.gz PEVQCRSMSNIYLY-SGMGOOAPSA-N 1 0 312.370 0.778 20 5 DCBDRO C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000566687446 417052282 /nfs/dbraw/zinc/05/22/82/417052282.db2.gz KAZQTWRCVPOVLO-VIFPVBQESA-N 1 0 305.338 0.952 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000568384385 417128041 /nfs/dbraw/zinc/12/80/41/417128041.db2.gz CSECEZXKTRMPSX-GXSJLCMTSA-N 1 0 319.312 0.081 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)[C@@H]2CCCSC2)n1 ZINC000433180437 417236323 /nfs/dbraw/zinc/23/63/23/417236323.db2.gz JJUKWFBUAXEHCT-LLVKDONJSA-N 1 0 300.384 0.981 20 5 DCBDRO COC(=O)COc1ccc(CN[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414797724 417302885 /nfs/dbraw/zinc/30/28/85/417302885.db2.gz BLZWYBRFMHKXFL-GFCCVEGCSA-N 1 0 323.349 0.974 20 5 DCBDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000570697655 417384584 /nfs/dbraw/zinc/38/45/84/417384584.db2.gz ATQTXNCRTBKTMW-GFCCVEGCSA-N 1 0 320.349 0.469 20 5 DCBDRO CN(C)c1cccnc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571159534 417430875 /nfs/dbraw/zinc/43/08/75/417430875.db2.gz SSNKKLFHNGPDAL-LBPRGKRZSA-N 1 0 320.353 0.403 20 5 DCBDRO O=C(NCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000570564660 417369702 /nfs/dbraw/zinc/36/97/02/417369702.db2.gz ZBFDSNGJQDUOLJ-LBPRGKRZSA-N 1 0 323.349 0.450 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)C1 ZINC000570630735 417374338 /nfs/dbraw/zinc/37/43/38/417374338.db2.gz PKPXTMWNTTZKAT-NSHDSACASA-N 1 0 307.306 0.815 20 5 DCBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000415374007 417375717 /nfs/dbraw/zinc/37/57/17/417375717.db2.gz IIDZWZTXEMUUEO-JTQLQIEISA-N 1 0 306.322 0.710 20 5 DCBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111965 417454669 /nfs/dbraw/zinc/45/46/69/417454669.db2.gz DKNGGVZXLDPMRN-TZMCWYRMSA-N 1 0 311.386 0.567 20 5 DCBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000572854684 417463873 /nfs/dbraw/zinc/46/38/73/417463873.db2.gz KDVNYOWKTMBPNG-AWEZNQCLSA-N 1 0 305.338 0.740 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575800701 417550139 /nfs/dbraw/zinc/55/01/39/417550139.db2.gz RJZVAWXUCJYIEU-MNOVXSKESA-N 1 0 307.354 0.790 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CC[NH2+]C ZINC000440837932 287409240 /nfs/dbraw/zinc/40/92/40/287409240.db2.gz ZMRPGBJYKVUKBZ-UHFFFAOYSA-N 1 0 301.368 0.997 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000440844397 287409738 /nfs/dbraw/zinc/40/97/38/287409738.db2.gz ISBPIWZHMXAMHC-DTWKUNHWSA-N 1 0 317.371 0.088 20 5 DCBDRO CC(C)Oc1nc(NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000582013518 417732110 /nfs/dbraw/zinc/73/21/10/417732110.db2.gz OHDUXZKUBMTVQF-CQSZACIVSA-N 1 0 312.370 1.502 20 5 DCBDRO C[NH+](C)C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCC1 ZINC000299518249 229173769 /nfs/dbraw/zinc/17/37/69/229173769.db2.gz OODUJBPXBSWRGP-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000354439130 261219503 /nfs/dbraw/zinc/21/95/03/261219503.db2.gz FOZQJJRSKUSRLN-RYUDHWBXSA-N 1 0 320.349 0.500 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361105081 261897438 /nfs/dbraw/zinc/89/74/38/261897438.db2.gz GOGVFJYHIIPOCD-CHWSQXEVSA-N 1 0 321.381 0.994 20 5 DCBDRO CNC(=O)c1ccc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000394822521 262162894 /nfs/dbraw/zinc/16/28/94/262162894.db2.gz UZISLONADIJVJF-NSHDSACASA-N 1 0 307.354 0.270 20 5 DCBDRO C[C@H]1C(=O)NCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411218129 262167603 /nfs/dbraw/zinc/16/76/03/262167603.db2.gz NSYIIMHLJQAVAE-JTQLQIEISA-N 1 0 306.322 0.744 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412252877 262184121 /nfs/dbraw/zinc/18/41/21/262184121.db2.gz QWQFGHVARHGWIS-LZWOXQAQSA-N 1 0 319.361 0.881 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000417224331 262247817 /nfs/dbraw/zinc/24/78/17/262247817.db2.gz HYAXJMPTCWSEQO-AWEZNQCLSA-N 1 0 322.365 0.897 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000417935198 262265716 /nfs/dbraw/zinc/26/57/16/262265716.db2.gz GEIZFKZLDCFHBT-AWEZNQCLSA-N 1 0 322.365 0.897 20 5 DCBDRO Cc1c(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000418079561 262269336 /nfs/dbraw/zinc/26/93/36/262269336.db2.gz LAHOLYUOQAVWDJ-ZDUSSCGKSA-N 1 0 321.381 0.606 20 5 DCBDRO Cc1c(CNC(=O)NCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000418083162 262269730 /nfs/dbraw/zinc/26/97/30/262269730.db2.gz RMQBHHQWHHRURC-UHFFFAOYSA-N 1 0 321.381 0.608 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])n1 ZINC000420471434 262374872 /nfs/dbraw/zinc/37/48/72/262374872.db2.gz AZQMBRBTFXWVGE-RKDXNWHRSA-N 1 0 317.371 0.230 20 5 DCBDRO CC(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420985382 262388839 /nfs/dbraw/zinc/38/88/39/262388839.db2.gz KXMIQKATRGUDBU-JSGCOSHPSA-N 1 0 323.349 0.545 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424229918 262486069 /nfs/dbraw/zinc/48/60/69/262486069.db2.gz DQGFOFZLZINETO-UONOGXRCSA-N 1 0 315.333 0.895 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])n3C)C[C@H]2[NH3+])cn1 ZINC000424245165 262487887 /nfs/dbraw/zinc/48/78/87/262487887.db2.gz UEXTWZNFCRCTOA-WDEREUQCSA-N 1 0 318.337 0.234 20 5 DCBDRO C[NH2+]CCCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418280044 271239913 /nfs/dbraw/zinc/23/99/13/271239913.db2.gz QUFSTELAFNDHBQ-UHFFFAOYSA-N 1 0 322.369 0.431 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000419270358 271282196 /nfs/dbraw/zinc/28/21/96/271282196.db2.gz NHLWREZKFHTCFI-QWRGUYRKSA-N 1 0 322.365 0.934 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1CCCO ZINC000420639464 271374184 /nfs/dbraw/zinc/37/41/84/271374184.db2.gz QDWSHPHFPCPEJW-LLVKDONJSA-N 1 0 322.365 0.952 20 5 DCBDRO O=C(COC1C[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000429739618 271457424 /nfs/dbraw/zinc/45/74/24/271457424.db2.gz CYUYCZHOVSFKEA-UHFFFAOYSA-N 1 0 320.349 0.232 20 5 DCBDRO CC(C)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000489383053 272060672 /nfs/dbraw/zinc/06/06/72/272060672.db2.gz DPIGVGUVDGCUGQ-ZDUSSCGKSA-N 1 0 322.365 0.555 20 5 DCBDRO COC(=O)NCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000496568434 272325657 /nfs/dbraw/zinc/32/56/57/272325657.db2.gz VEZALSXPPFWBAH-LLVKDONJSA-N 1 0 313.310 0.280 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000516866234 272447696 /nfs/dbraw/zinc/44/76/96/272447696.db2.gz HDXFOACTMXBJFR-UHFFFAOYSA-N 1 0 308.338 0.488 20 5 DCBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282342955 276138648 /nfs/dbraw/zinc/13/86/48/276138648.db2.gz MHXGWDBPKSPYBT-AAEUAGOBSA-N 1 0 323.349 0.545 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000415411993 277025846 /nfs/dbraw/zinc/02/58/46/277025846.db2.gz HGKAILBZSNIWFI-SECBINFHSA-N 1 0 324.337 0.514 20 5 DCBDRO NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000130626813 279575546 /nfs/dbraw/zinc/57/55/46/279575546.db2.gz UIPMYHUWLYXKLQ-VXGBXAGGSA-N 1 0 308.338 0.390 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CC[NH2+]C1 ZINC000273043489 279752227 /nfs/dbraw/zinc/75/22/27/279752227.db2.gz PQHFKSDARRCEAM-LLVKDONJSA-N 1 0 320.349 0.440 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCn2cccn2)c1 ZINC000552513804 288276571 /nfs/dbraw/zinc/27/65/71/288276571.db2.gz FVCJXXRJEKVTII-CYBMUJFWSA-N 1 0 306.322 0.821 20 5 DCBDRO Cc1c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000560565465 288511517 /nfs/dbraw/zinc/51/15/17/288511517.db2.gz ZHFVNOUPNXBZNQ-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000565823088 288880156 /nfs/dbraw/zinc/88/01/56/288880156.db2.gz KZGJDKSCTWFGFR-LLVKDONJSA-N 1 0 306.322 0.161 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000156113475 295190865 /nfs/dbraw/zinc/19/08/65/295190865.db2.gz BVUZSTWUFVNCNA-VIFPVBQESA-N 1 0 315.351 0.715 20 5 DCBDRO NC(=O)c1ccnc(N[C@@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000295683417 303350052 /nfs/dbraw/zinc/35/00/52/303350052.db2.gz MQEZRXCHUFFWGB-SNVBAGLBSA-N 1 0 323.353 0.347 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000580064068 332923438 /nfs/dbraw/zinc/92/34/38/332923438.db2.gz JMESCLAKJPTEPI-MRVPVSSYSA-N 1 0 309.278 0.042 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000580294099 333065262 /nfs/dbraw/zinc/06/52/62/333065262.db2.gz UWQDPDGMJWIJOS-YPMHNXCESA-N 1 0 318.333 0.031 20 5 DCBDRO CCC([NH3+])(CC)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583084164 337237517 /nfs/dbraw/zinc/23/75/17/337237517.db2.gz ZLYVHNVYXRJNJV-UHFFFAOYSA-N 1 0 302.356 0.786 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000583734568 337327297 /nfs/dbraw/zinc/32/72/97/337327297.db2.gz CDWGOVHKKLGLOV-MFKMUULPSA-N 1 0 311.363 0.919 20 5 DCBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000584470594 337345201 /nfs/dbraw/zinc/34/52/01/337345201.db2.gz VDAXMWIHVKDVHJ-AWEZNQCLSA-N 1 0 310.354 0.636 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc[nH]c(=O)c1 ZINC000575252554 341790165 /nfs/dbraw/zinc/79/01/65/341790165.db2.gz OZWUKEJYFHOWQC-CABZTGNLSA-N 1 0 307.310 0.604 20 5 DCBDRO C[C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC001565609613 1159852682 /nfs/dbraw/zinc/85/26/82/1159852682.db2.gz UWZOZMHOFHKZMB-ZDUSSCGKSA-N 1 0 314.430 0.822 20 5 DCBDRO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000415853593 533930738 /nfs/dbraw/zinc/93/07/38/533930738.db2.gz UKHMWUQAEIAALR-GHMZBOCLSA-N 1 0 320.349 0.977 20 5 DCBDRO CC[NH2+]CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000236964761 519922419 /nfs/dbraw/zinc/92/24/19/519922419.db2.gz LSNFOQSARNFLDI-UHFFFAOYSA-N 1 0 304.306 0.776 20 5 DCBDRO COc1cc(OCC(=O)N2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000157987641 522888675 /nfs/dbraw/zinc/88/86/75/522888675.db2.gz TYHCSTGUGGEIOZ-JTQLQIEISA-N 1 0 309.322 0.932 20 5 DCBDRO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000151277490 524678434 /nfs/dbraw/zinc/67/84/34/524678434.db2.gz ZKUJJKSICPCZCR-LBPRGKRZSA-N 1 0 324.385 0.822 20 5 DCBDRO Cc1nn(CCC(=O)NC[C@@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000130206086 526277901 /nfs/dbraw/zinc/27/79/01/526277901.db2.gz DDKXYGXXUBBNNT-GFCCVEGCSA-N 1 0 309.370 0.914 20 5 DCBDRO CC(C)(C)[C@@H](CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181481031 526615073 /nfs/dbraw/zinc/61/50/73/526615073.db2.gz CCLBVMADAZISAR-VXGBXAGGSA-N 1 0 300.359 0.539 20 5 DCBDRO CC(C)(C)C[N@H+](CCCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173707209 527683240 /nfs/dbraw/zinc/68/32/40/527683240.db2.gz OJMRYWBPYFFIMT-ZDUSSCGKSA-N 1 0 314.386 0.883 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415551780 528613525 /nfs/dbraw/zinc/61/35/25/528613525.db2.gz MFCSQZGXJOGGEQ-SECBINFHSA-N 1 0 324.337 0.786 20 5 DCBDRO CN(CC[NH+]1CCCC1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821601582 606707013 /nfs/dbraw/zinc/70/70/13/606707013.db2.gz PGHKVTHTUYGPRL-UHFFFAOYSA-N 1 0 318.341 0.702 20 5 DCBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821240285 606731204 /nfs/dbraw/zinc/73/12/04/606731204.db2.gz FYOUBBLLEFINDW-KCJUWKMLSA-N 1 0 318.341 0.922 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000823652236 607230020 /nfs/dbraw/zinc/23/00/20/607230020.db2.gz XHTKWYJAOMZLOD-UHFFFAOYSA-N 1 0 320.338 0.823 20 5 DCBDRO Cn1c(C(=O)N2CCN(C)CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000888996966 658128566 /nfs/dbraw/zinc/12/85/66/658128566.db2.gz NXYMZURJYHRPQL-UHFFFAOYSA-N 1 0 309.370 0.253 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000934261988 658247871 /nfs/dbraw/zinc/24/78/71/658247871.db2.gz HCAGSIOGZRNNRJ-KBPBESRZSA-N 1 0 309.370 0.322 20 5 DCBDRO C[C@@]1(C2CC2)COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934480588 658440437 /nfs/dbraw/zinc/44/04/37/658440437.db2.gz DHKWWSYRQNKADM-KGLIPLIRSA-N 1 0 310.354 0.653 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC000312406407 659288334 /nfs/dbraw/zinc/28/83/34/659288334.db2.gz QWSDTYBVVVAWJC-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931285493 659487132 /nfs/dbraw/zinc/48/71/32/659487132.db2.gz AAIVYFJNJWPAIC-UHFFFAOYSA-N 1 0 323.397 0.978 20 5 DCBDRO Cc1ccncc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775187 659557377 /nfs/dbraw/zinc/55/73/77/659557377.db2.gz BRPDGDYEUDWHCK-QMIVOQANSA-N 1 0 316.361 0.602 20 5 DCBDRO C[C@H]1C[N@H+](CCCOC(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000893390171 659620862 /nfs/dbraw/zinc/62/08/62/659620862.db2.gz DKPKVNPXHZTAAR-NSHDSACASA-N 1 0 312.326 0.445 20 5 DCBDRO COC(=O)COc1ccc(CN2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261640447 661342040 /nfs/dbraw/zinc/34/20/40/661342040.db2.gz AFSBZLUNXUTBEN-GFCCVEGCSA-N 1 0 323.349 0.927 20 5 DCBDRO Cc1nn(C)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000726163826 661652169 /nfs/dbraw/zinc/65/21/69/661652169.db2.gz OEKRXXLYOAQOKD-QWRGUYRKSA-N 1 0 323.353 0.230 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000126439783 661829326 /nfs/dbraw/zinc/82/93/26/661829326.db2.gz SSWSDIQXZOIYNL-LLVKDONJSA-N 1 0 320.349 0.523 20 5 DCBDRO Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)o1 ZINC000983653795 661998188 /nfs/dbraw/zinc/99/81/88/661998188.db2.gz LEHAAZBEBBIGMC-HKUMRIAESA-N 1 0 322.365 0.941 20 5 DCBDRO CC[C@H](CO)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000727057717 662106895 /nfs/dbraw/zinc/10/68/95/662106895.db2.gz FSDAASXVYDCQQM-MRVPVSSYSA-N 1 0 311.294 0.623 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896577836 662295050 /nfs/dbraw/zinc/29/50/50/662295050.db2.gz SMCPEMZJWRJCFS-BXUZGUMPSA-N 1 0 321.381 0.662 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000866921330 662436206 /nfs/dbraw/zinc/43/62/06/662436206.db2.gz QQQGKFOEOCXDFL-AWEZNQCLSA-N 1 0 313.329 0.705 20 5 DCBDRO C[NH+](C)[C@H]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000898843115 663110346 /nfs/dbraw/zinc/11/03/46/663110346.db2.gz AXUCRURLEFGZHN-QWRGUYRKSA-N 1 0 307.354 0.780 20 5 DCBDRO O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC[N+](=O)[O-] ZINC000899880850 663196883 /nfs/dbraw/zinc/19/68/83/663196883.db2.gz AWZIQHNZJAZQGS-HNNXBMFYSA-N 1 0 318.333 0.460 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000901235230 663332195 /nfs/dbraw/zinc/33/21/95/663332195.db2.gz SZXSUTZRZIPATO-ZFWWWQNUSA-N 1 0 307.350 0.709 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905904686 663588112 /nfs/dbraw/zinc/58/81/12/663588112.db2.gz MQEDJEIKMATAJS-ZFWWWQNUSA-N 1 0 310.350 0.929 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000906614185 663623894 /nfs/dbraw/zinc/62/38/94/663623894.db2.gz JNHLHZXUWNQHSH-GJZGRUSLSA-N 1 0 309.366 0.675 20 5 DCBDRO COc1ccc(C(=O)N2CCN(C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000913555579 664614536 /nfs/dbraw/zinc/61/45/36/664614536.db2.gz HZDHNCJCBGYHKG-NSHDSACASA-N 1 0 309.322 0.352 20 5 DCBDRO Cn1cncc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001393564 666040939 /nfs/dbraw/zinc/04/09/39/666040939.db2.gz DLLZWJOFHNCDSV-ZIAGYGMSSA-N 1 0 321.381 0.414 20 5 DCBDRO Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429249 666790849 /nfs/dbraw/zinc/79/08/49/666790849.db2.gz NSMXFJOJQIUDIG-CHWSQXEVSA-N 1 0 308.338 0.729 20 5 DCBDRO [NH3+]C1(CO)CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 ZINC000733995086 666834102 /nfs/dbraw/zinc/83/41/02/666834102.db2.gz ZZGIKUQIULNFCX-UHFFFAOYSA-N 1 0 320.349 0.770 20 5 DCBDRO Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC001034644108 667089598 /nfs/dbraw/zinc/08/95/98/667089598.db2.gz CCCCERCEJCSRQD-DDHJBXDOSA-N 1 0 322.369 0.295 20 5 DCBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000841456765 667178287 /nfs/dbraw/zinc/17/82/87/667178287.db2.gz LWQLALUBEQRCOH-RYUDHWBXSA-N 1 0 301.387 0.735 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865706399 667340194 /nfs/dbraw/zinc/34/01/94/667340194.db2.gz VCTXRFDUDPGARB-GFCCVEGCSA-N 1 0 324.356 0.638 20 5 DCBDRO C[NH2+]C[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291469 667493842 /nfs/dbraw/zinc/49/38/42/667493842.db2.gz STJNHPNSQALURI-TZMCWYRMSA-N 1 0 309.366 0.876 20 5 DCBDRO CN(C(=O)CN1CCNCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000923462792 667539042 /nfs/dbraw/zinc/53/90/42/667539042.db2.gz AKVVDYTYSYHBIN-UHFFFAOYSA-N 1 0 321.381 0.052 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886830451 667804377 /nfs/dbraw/zinc/80/43/77/667804377.db2.gz RFPWXOBBMUXTPQ-IACUBPJLSA-N 1 0 310.354 0.653 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000743261101 667805274 /nfs/dbraw/zinc/80/52/74/667805274.db2.gz JSFQQWLIQUYPEK-KBPBESRZSA-N 1 0 324.312 0.615 20 5 DCBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 ZINC000871815932 667853459 /nfs/dbraw/zinc/85/34/59/667853459.db2.gz ZJGVLUBQLYVRII-GXFFZTMASA-N 1 0 311.363 0.825 20 5 DCBDRO [NH3+]C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(F)(F)F ZINC000872151940 667869926 /nfs/dbraw/zinc/86/99/26/667869926.db2.gz NRAIOUIAYDXRAQ-WPRPVWTQSA-N 1 0 307.276 0.860 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889779259 667996658 /nfs/dbraw/zinc/99/66/58/667996658.db2.gz DJCGPFMQECHKSA-STQMWFEESA-N 1 0 322.365 0.605 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000923715666 668175104 /nfs/dbraw/zinc/17/51/04/668175104.db2.gz YOFNRTZVJWJRDV-WDEREUQCSA-N 1 0 311.363 0.825 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874843077 668225938 /nfs/dbraw/zinc/22/59/38/668225938.db2.gz LOXJSOWMYJTXKB-NWDGAFQWSA-N 1 0 307.354 0.795 20 5 DCBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2C)c1[N+](=O)[O-] ZINC000924992189 668261822 /nfs/dbraw/zinc/26/18/22/668261822.db2.gz ZIVWNBDHBPRISB-QWRGUYRKSA-N 1 0 311.313 0.837 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000762721271 668374530 /nfs/dbraw/zinc/37/45/30/668374530.db2.gz KAZDZNRXAFHICF-CYBMUJFWSA-N 1 0 324.293 0.299 20 5 DCBDRO C[NH2+]CCOCCN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000877027187 668554422 /nfs/dbraw/zinc/55/44/22/668554422.db2.gz KNTSLXHAZPSMMU-UHFFFAOYSA-N 1 0 324.381 0.969 20 5 DCBDRO C[NH+](C)CCCNC(=S)NCCn1cc([N+](=O)[O-])cn1 ZINC000768479333 668611227 /nfs/dbraw/zinc/61/12/27/668611227.db2.gz LDJHQKLEDIUJEW-UHFFFAOYSA-N 1 0 300.388 0.207 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCN3CCCOCC3)C2)c1 ZINC000877527395 668626291 /nfs/dbraw/zinc/62/62/91/668626291.db2.gz LBCWYWMSLGVWLE-UHFFFAOYSA-N 1 0 309.370 0.807 20 5 DCBDRO Cc1c(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000877719366 668641576 /nfs/dbraw/zinc/64/15/76/668641576.db2.gz YXHKKHODQKOUMP-TXEJJXNPSA-N 1 0 303.318 0.950 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](CCCCO)CC1 ZINC000878259433 668705352 /nfs/dbraw/zinc/70/53/52/668705352.db2.gz GCUUFQDXHSYZMK-UHFFFAOYSA-N 1 0 311.386 0.490 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000878663621 668754516 /nfs/dbraw/zinc/75/45/16/668754516.db2.gz MTKKRMVYBIAPEM-LLVKDONJSA-N 1 0 311.342 0.872 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC000880072205 669155528 /nfs/dbraw/zinc/15/55/28/669155528.db2.gz WPMJVFXPAKPYKI-ARFHVFGLSA-N 1 0 321.377 0.769 20 5 DCBDRO COCC[N@H+]1[C@H](C)CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000129029161 669347241 /nfs/dbraw/zinc/34/72/41/669347241.db2.gz IWSQZUVIWNDNRP-BETUJISGSA-N 1 0 311.386 0.832 20 5 DCBDRO COCC[N@H+]1[C@H](C)CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C ZINC000129713620 669537999 /nfs/dbraw/zinc/53/79/99/669537999.db2.gz BQEVQZDWVVRWHQ-BETUJISGSA-N 1 0 311.386 0.832 20 5 DCBDRO CON(C)C(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000799167670 670046375 /nfs/dbraw/zinc/04/63/75/670046375.db2.gz BRQIBVZNNQWVQO-UHFFFAOYSA-N 1 0 311.342 0.838 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808160479 670393370 /nfs/dbraw/zinc/39/33/70/670393370.db2.gz VONZQLCEHSGYAY-NWDGAFQWSA-N 1 0 320.349 0.458 20 5 DCBDRO Nc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000808218502 670399313 /nfs/dbraw/zinc/39/93/13/670399313.db2.gz IUJUSUXJDLLSOT-LLVKDONJSA-N 1 0 308.338 0.364 20 5 DCBDRO NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840181129 670453886 /nfs/dbraw/zinc/45/38/86/670453886.db2.gz ZEFSIJCLQZODGI-OAHLLOKOSA-N 1 0 315.333 0.878 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854466162 670571811 /nfs/dbraw/zinc/57/18/11/670571811.db2.gz XNCAMJZSBMYNSP-SNVBAGLBSA-N 1 0 317.292 0.725 20 5 DCBDRO CCNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592235 670751225 /nfs/dbraw/zinc/75/12/25/670751225.db2.gz CHGLRXYZPQDBHB-SECBINFHSA-N 1 0 316.383 0.767 20 5 DCBDRO CC(C)(CCC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[N+](=O)[O-] ZINC000856257723 670798662 /nfs/dbraw/zinc/79/86/62/670798662.db2.gz YBKJCYALFWIUFB-ZDUSSCGKSA-N 1 0 313.398 0.880 20 5 DCBDRO C[S@](=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819032160 671087121 /nfs/dbraw/zinc/08/71/21/671087121.db2.gz CJUVERHFTOBNIQ-YBTHPKLGSA-N 1 0 302.352 0.303 20 5 DCBDRO C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000819190107 671101759 /nfs/dbraw/zinc/10/17/59/671101759.db2.gz DTDGPTQOMMYLRU-CABZTGNLSA-N 1 0 302.352 0.651 20 5 DCBDRO O=C1CCC2=C(CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)N1 ZINC000852298488 671115251 /nfs/dbraw/zinc/11/52/51/671115251.db2.gz BPAQDVQUEHYSEO-LBPRGKRZSA-N 1 0 321.337 0.022 20 5 DCBDRO C[C@]1(CO)C[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@]1(C)CO ZINC000859831715 671148797 /nfs/dbraw/zinc/14/87/97/671148797.db2.gz ACYHAPQVUHOMPP-HRCADAONSA-N 1 0 324.377 0.941 20 5 DCBDRO [NH3+]C[C@H]1CC(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)=NO1 ZINC000852883591 671185155 /nfs/dbraw/zinc/18/51/55/671185155.db2.gz KRGUKVBSVQTTNX-SSDOTTSWSA-N 1 0 304.266 0.513 20 5 DCBDRO [NH3+]CCc1noc(-c2cccc([N+](=O)[O-])c2N2CCOCC2)n1 ZINC000843131286 672065591 /nfs/dbraw/zinc/06/55/91/672065591.db2.gz GPQNRRTXSUEGDG-UHFFFAOYSA-N 1 0 319.321 0.983 20 5 DCBDRO C[C@H]1CCC[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000845917253 672282541 /nfs/dbraw/zinc/28/25/41/672282541.db2.gz JNDUHGSJBXPADJ-JTQLQIEISA-N 1 0 314.367 0.752 20 5 DCBDRO COc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ccn1 ZINC001670781362 1158000949 /nfs/dbraw/zinc/00/09/49/1158000949.db2.gz IPBGMTLPJPWDDM-VXGBXAGGSA-N 1 0 320.349 0.494 20 5 DCBDRO O=C(NC/C=C/C[NH2+]Cc1cncc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568848529 1160813013 /nfs/dbraw/zinc/81/30/13/1160813013.db2.gz LXOBEYOKDCOEAO-DKZVVXNFSA-N 1 0 308.313 0.648 20 5 DCBDRO C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001576023559 1164214540 /nfs/dbraw/zinc/21/45/40/1164214540.db2.gz QGVRGNZWDLQLAC-NEPJUHHUSA-N 1 0 322.365 0.986 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001576149362 1164252975 /nfs/dbraw/zinc/25/29/75/1164252975.db2.gz GHKJTDNDXXESLN-QMMMGPOBSA-N 1 0 315.351 0.418 20 5 DCBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N(CC[NH3+])OC)cc1OC ZINC001578170482 1164943019 /nfs/dbraw/zinc/94/30/19/1164943019.db2.gz HTBCYGSLGXQOIL-UHFFFAOYSA-N 1 0 313.310 0.964 20 5 DCBDRO CN1CCOC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578539641 1165052295 /nfs/dbraw/zinc/05/22/95/1165052295.db2.gz BXHBKHOISZWOMT-ZFWWWQNUSA-N 1 0 322.365 0.216 20 5 DCBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001578942659 1165164904 /nfs/dbraw/zinc/16/49/04/1165164904.db2.gz DNKGHXKBOYWCKO-UKRRQHHQSA-N 1 0 322.365 0.890 20 5 DCBDRO COc1ccc(C(=O)CNC(=O)[C@@H]2CC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001579188549 1165233513 /nfs/dbraw/zinc/23/35/13/1165233513.db2.gz KHFOUJAJZIIOIL-JTQLQIEISA-N 1 0 319.317 0.512 20 5 DCBDRO COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2[NH3+])cc1 ZINC001579239197 1165248666 /nfs/dbraw/zinc/24/86/66/1165248666.db2.gz NAKDCYYTJMJEOX-XJFOESAGSA-N 1 0 305.334 0.614 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[NH2+]C[C@@H]1F ZINC001580582822 1165645043 /nfs/dbraw/zinc/64/50/43/1165645043.db2.gz YNLSNMVBUVILSI-NWDGAFQWSA-N 1 0 321.312 0.761 20 5 DCBDRO O=C(NC[C@]1(O)CC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001580636499 1165669086 /nfs/dbraw/zinc/66/90/86/1165669086.db2.gz KPAXYJQLFLGWTC-HNNXBMFYSA-N 1 0 316.317 0.597 20 5 DCBDRO O=C(NC[C@H]1CC[NH2+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001580660849 1165677992 /nfs/dbraw/zinc/67/79/92/1165677992.db2.gz ILRIIRLWXIKAGT-SNVBAGLBSA-N 1 0 301.306 0.872 20 5 DCBDRO O=C(NC[C@@H]1CC[NH2+]1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC001580660848 1165678482 /nfs/dbraw/zinc/67/84/82/1165678482.db2.gz ILRIIRLWXIKAGT-JTQLQIEISA-N 1 0 301.306 0.872 20 5 DCBDRO O=C(NC[C@H]1CC[NH2+]1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001580660440 1165678748 /nfs/dbraw/zinc/67/87/48/1165678748.db2.gz AGYKQRKQBQVWSY-GFCCVEGCSA-N 1 0 316.321 0.326 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC23CC[NH2+]CC3)nc1 ZINC001580875375 1165749267 /nfs/dbraw/zinc/74/92/67/1165749267.db2.gz JGEUBCDKWIUSMP-UHFFFAOYSA-N 1 0 312.351 0.506 20 5 DCBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590213245 1166815663 /nfs/dbraw/zinc/81/56/63/1166815663.db2.gz CWEVBALGIUIPJI-DTWKUNHWSA-N 1 0 304.310 0.730 20 5 DCBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001590310364 1166857740 /nfs/dbraw/zinc/85/77/40/1166857740.db2.gz VPWCGIHGEFWLMG-PELKAZGASA-N 1 0 304.310 0.588 20 5 DCBDRO [NH3+][C@@H]1CN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC[C@H]1F ZINC001592752196 1167631465 /nfs/dbraw/zinc/63/14/65/1167631465.db2.gz SCZRYIXAKKIBAA-RKDXNWHRSA-N 1 0 307.289 0.650 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH+]1CCC(CO)CC1 ZINC001593483105 1167867685 /nfs/dbraw/zinc/86/76/85/1167867685.db2.gz UVEXUCGXFQWXAO-UHFFFAOYSA-N 1 0 318.337 0.979 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC001593483454 1167868470 /nfs/dbraw/zinc/86/84/70/1167868470.db2.gz ZSQRSRFPBWNQMR-IAZYJMLFSA-N 1 0 316.321 0.445 20 5 DCBDRO CC[NH+]1CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001604345335 1169561662 /nfs/dbraw/zinc/56/16/62/1169561662.db2.gz MCYYPHXLKAHFMN-UHFFFAOYSA-N 1 0 303.326 0.917 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@H]2CSCC[NH2+]2)cccc1-c1nn[nH]n1 ZINC001607078171 1170381821 /nfs/dbraw/zinc/38/18/21/1170381821.db2.gz MSNLOGGHMCIUHI-QMMMGPOBSA-N 1 0 321.366 0.892 20 5 DCBDRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001609146780 1170827425 /nfs/dbraw/zinc/82/74/25/1170827425.db2.gz WJVMDTZEHRJJIV-GFCCVEGCSA-N 1 0 318.337 0.978 20 5 DCBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001609265928 1170904099 /nfs/dbraw/zinc/90/40/99/1170904099.db2.gz LIFHFTRKTDVKAS-UHFFFAOYSA-N 1 0 304.314 0.676 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)n1 ZINC001618102458 1171394502 /nfs/dbraw/zinc/39/45/02/1171394502.db2.gz ZJPBCMRIFMVJLJ-WDEREUQCSA-N 1 0 324.385 0.175 20 5 DCBDRO C[C@@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001618099943 1171395176 /nfs/dbraw/zinc/39/51/76/1171395176.db2.gz QPGQJCJKHUVBPZ-BXKDBHETSA-N 1 0 323.353 0.060 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(CC[NH+](C)C)CC2)n1 ZINC001623483477 1171438637 /nfs/dbraw/zinc/43/86/37/1171438637.db2.gz SOWYZYUNNMECCK-UHFFFAOYSA-N 1 0 321.381 0.618 20 5 DCBDRO Nc1ccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001629193945 1171544060 /nfs/dbraw/zinc/54/40/60/1171544060.db2.gz XBFDUXJLTKRUHI-NSHDSACASA-N 1 0 306.322 0.836 20 5 DCBDRO CNC(=O)C1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001644528348 1172010183 /nfs/dbraw/zinc/01/01/83/1172010183.db2.gz DADBXUKGHACMMU-ZDUSSCGKSA-N 1 0 323.349 0.513 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001646288355 1172323618 /nfs/dbraw/zinc/32/36/18/1172323618.db2.gz GJBXYPCOLNKQEE-GFCCVEGCSA-N 1 0 307.354 0.558 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1 ZINC001647773070 1173055665 /nfs/dbraw/zinc/05/56/65/1173055665.db2.gz MLEWSPBZSZRJQG-SNVBAGLBSA-N 1 0 321.333 0.806 20 5 DCBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001654229438 1173802777 /nfs/dbraw/zinc/80/27/77/1173802777.db2.gz MXJISZGIWDMXEJ-IEBDPFPHSA-N 1 0 306.322 0.174 20 5 DCBDRO CCOC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956916 1173814040 /nfs/dbraw/zinc/81/40/40/1173814040.db2.gz XUVJQOMPMAWMHH-PWSUYJOCSA-N 1 0 312.326 0.037 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCOC23CCCC3)c1 ZINC001655823717 1173829185 /nfs/dbraw/zinc/82/91/85/1173829185.db2.gz JNGQUCYSQPYJKW-OLZOCXBDSA-N 1 0 310.354 0.844 20 5 DCBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@@H](CO)[C@H](CCO)C1 ZINC001655898379 1173830355 /nfs/dbraw/zinc/83/03/55/1173830355.db2.gz IJFZZGWFFJOKFI-OLZOCXBDSA-N 1 0 310.350 0.896 20 5 DCBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC001658943456 1173928344 /nfs/dbraw/zinc/92/83/44/1173928344.db2.gz XJTMTAPXJONVGY-RISCZKNCSA-N 1 0 323.349 0.517 20 5 DCBDRO CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001661561272 1174134853 /nfs/dbraw/zinc/13/48/53/1174134853.db2.gz KYJJCKIPPIROCM-BETUJISGSA-N 1 0 320.349 0.468 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH2+]Cc2cnon2)CC1 ZINC001666211934 1174593556 /nfs/dbraw/zinc/59/35/56/1174593556.db2.gz WPNOLTHWFZOCLB-CHWSQXEVSA-N 1 0 323.353 0.453 20 5 DCBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C(C)(F)F ZINC001669995724 1174968164 /nfs/dbraw/zinc/96/81/64/1174968164.db2.gz YKHMGWAWDQGSGP-UHFFFAOYSA-N 1 0 319.312 0.922 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cc(F)c[nH]1 ZINC001714734273 1181513278 /nfs/dbraw/zinc/51/32/78/1181513278.db2.gz GOWQTUNVQXZQHN-UHFFFAOYSA-N 1 0 324.316 0.657 20 5 DCBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cnco1 ZINC001723088160 1184261350 /nfs/dbraw/zinc/26/13/50/1184261350.db2.gz ZKPFJKCCJURDKF-UHFFFAOYSA-N 1 0 322.325 0.568 20 5 DCBDRO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)on1 ZINC001724785003 1184556910 /nfs/dbraw/zinc/55/69/10/1184556910.db2.gz GOEDFNDAOLEOCO-VXGBXAGGSA-N 1 0 308.338 0.777 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC001754184837 1188777112 /nfs/dbraw/zinc/77/71/12/1188777112.db2.gz BIDAPUYQHJISBS-UPHRSURJSA-N 1 0 316.321 0.789 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ncc1Br ZINC000305943978 1190382213 /nfs/dbraw/zinc/38/22/13/1190382213.db2.gz LWTLBQKWQWLQFX-LURJTMIESA-N 1 0 315.127 0.844 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC001164665044 719394393 /nfs/dbraw/zinc/39/43/93/719394393.db2.gz FKLBZXZUSYWPEQ-NXEZZACHSA-N 1 0 309.326 0.221 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c(C)ncc(C[NH3+])c2=N)c1 ZINC001167675876 747524591 /nfs/dbraw/zinc/52/45/91/747524591.db2.gz RJNHUSBGUPRVHX-UHFFFAOYSA-N 1 0 317.305 0.814 20 5 DCBDRO C[C@H](NC(=O)C[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212020716 749743197 /nfs/dbraw/zinc/74/31/97/749743197.db2.gz VUSLPENASXHAEA-YFKPBYRVSA-N 1 0 310.245 0.315 20 5 DCBDRO CCCc1nc(C)c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001126932391 750144004 /nfs/dbraw/zinc/14/40/04/750144004.db2.gz VQCDJLDWSURCAZ-GHMZBOCLSA-N 1 0 310.354 0.807 20 5 DCBDRO O=C(NCC[NH2+]CCCCC1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936918 750149441 /nfs/dbraw/zinc/14/94/41/750149441.db2.gz WUBKEZRAYUGQRY-ZIAGYGMSSA-N 1 0 313.398 0.954 20 5 DCBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH2+][C@H](CCO)C1 ZINC001579992950 1165464251 /nfs/dbraw/zinc/46/42/51/1165464251.db2.gz ORPRBXDUYPVEIB-SSDOTTSWSA-N 1 0 323.275 0.508 20 5 DCBDRO CCOc1nc(N(CC[NH3+])S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC001154770742 758820363 /nfs/dbraw/zinc/82/03/63/758820363.db2.gz PPSFRRUXZXPSAA-UHFFFAOYSA-N 1 0 304.328 0.113 20 5 DCBDRO CS(=O)(=O)N([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]C1 ZINC001169041739 760556961 /nfs/dbraw/zinc/55/69/61/760556961.db2.gz CHEGKBOAJYLVPB-GRYCIOLGSA-N 1 0 305.400 0.445 20 5 DCBDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169025859 760560599 /nfs/dbraw/zinc/56/05/99/760560599.db2.gz ZJJQUGLFTNSMKC-KYEXWDHISA-N 1 0 311.382 0.659 20 5 DCBDRO CC(C)NC(=O)CN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169022498 760561143 /nfs/dbraw/zinc/56/11/43/760561143.db2.gz CFUVGHWPSDQQEU-ZIAGYGMSSA-N 1 0 312.414 0.574 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605529 764539388 /nfs/dbraw/zinc/53/93/88/764539388.db2.gz UGYCHAANDGCPRY-IMRBUKKESA-N 1 0 305.334 0.693 20 5 DCBDRO O=C(Cc1nc[nH]n1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001170717260 765276455 /nfs/dbraw/zinc/27/64/55/765276455.db2.gz LUXVIZQLBJFPDC-UHFFFAOYSA-N 1 0 318.337 0.552 20 5 DCBDRO CCC(=O)NCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124867635 768317579 /nfs/dbraw/zinc/31/75/79/768317579.db2.gz WWEOKGCZISRQRO-UHFFFAOYSA-N 1 0 314.367 0.388 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001116423327 765869869 /nfs/dbraw/zinc/86/98/69/765869869.db2.gz YFXHGELISHIYTJ-UHFFFAOYSA-N 1 0 324.385 0.086 20 5 DCBDRO NS(=O)(=O)c1cccc(NCC[NH+]2CC=CC2)c1[N+](=O)[O-] ZINC001116574976 765884739 /nfs/dbraw/zinc/88/47/39/765884739.db2.gz YAMAJOYZPWDHJE-UHFFFAOYSA-N 1 0 312.351 0.526 20 5 DCBDRO O=C(Cc1ncc[nH]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135754667 766081249 /nfs/dbraw/zinc/08/12/49/766081249.db2.gz GPQIUOCEWKTTMI-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001159670101 766188135 /nfs/dbraw/zinc/18/81/35/766188135.db2.gz BSKODWJMOGNPFD-CRCLSJGQSA-N 1 0 308.125 0.684 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001170874981 766191862 /nfs/dbraw/zinc/19/18/62/766191862.db2.gz QOPREDGPTJOLJC-NXEZZACHSA-N 1 0 319.321 0.806 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001136492173 766309919 /nfs/dbraw/zinc/30/99/19/766309919.db2.gz SPVSKSZFCZCVPX-YPMHNXCESA-N 1 0 320.349 0.891 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001118921532 766470117 /nfs/dbraw/zinc/47/01/17/766470117.db2.gz WYHBWUDXUZKCCW-NXEZZACHSA-N 1 0 308.338 0.578 20 5 DCBDRO CN1CC[NH+](C2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)CC1 ZINC001119049674 766519459 /nfs/dbraw/zinc/51/94/59/766519459.db2.gz UDDNMBNRWUVWRB-UHFFFAOYSA-N 1 0 322.369 0.170 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](CO)C(N)=O)c1F ZINC001173192386 769557761 /nfs/dbraw/zinc/55/77/61/769557761.db2.gz PPHLGTGBRHWSTE-VXNVDRBHSA-N 1 0 315.301 0.109 20 5 DCBDRO O=C1N[C@H](C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CO1 ZINC001176664461 770145406 /nfs/dbraw/zinc/14/54/06/770145406.db2.gz LHTZXJVZWQPJTM-LBPRGKRZSA-N 1 0 309.326 0.612 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)c2ccco2)nc1C1C[NH2+]C1 ZINC001154880210 770325068 /nfs/dbraw/zinc/32/50/68/770325068.db2.gz DTPHYQGNXQRPJI-SNVBAGLBSA-N 1 0 305.294 0.810 20 5 DCBDRO COC(=O)c1nc(Cl)nc(-n2cnc(C[NH3+])c2)c1[N+](=O)[O-] ZINC001154906267 770335486 /nfs/dbraw/zinc/33/54/86/770335486.db2.gz FUKFNQUXYYCUDI-UHFFFAOYSA-N 1 0 312.673 0.469 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCOC[C@H]1C[NH+](C)C ZINC001154968035 770354225 /nfs/dbraw/zinc/35/42/25/770354225.db2.gz LYFQDKFCUSZYBL-LLVKDONJSA-N 1 0 324.337 0.543 20 5 DCBDRO COc1nc(NCc2nnn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001155390108 770487602 /nfs/dbraw/zinc/48/76/02/770487602.db2.gz NMVDUUFFLOTSBE-UHFFFAOYSA-N 1 0 320.313 0.090 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001155641842 770575727 /nfs/dbraw/zinc/57/57/27/770575727.db2.gz FCYOMLNNLSAGCK-HDBBIHSSSA-N 1 0 308.294 0.318 20 5 DCBDRO Cc1nc(Cl)nc(-n2c(C)ncc(C[NH3+])c2=N)c1[N+](=O)[O-] ZINC001156824822 770936064 /nfs/dbraw/zinc/93/60/64/770936064.db2.gz DVDJYQCXKMCMTK-UHFFFAOYSA-N 1 0 309.717 0.779 20 5 DCBDRO CC(C)(CCO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156905366 770960871 /nfs/dbraw/zinc/96/08/71/770960871.db2.gz KPQSARAKWHLKJG-UHFFFAOYSA-N 1 0 310.358 0.367 20 5 DCBDRO [NH3+]CCc1nnn(-c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)n1 ZINC001156990109 770994116 /nfs/dbraw/zinc/99/41/16/770994116.db2.gz UHDRSFCKNFDWAM-UHFFFAOYSA-N 1 0 320.700 0.668 20 5 DCBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001181839734 771357701 /nfs/dbraw/zinc/35/77/01/771357701.db2.gz OOEWTBHZCXJXGE-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO Cc1ncc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cn1 ZINC001157606110 771640804 /nfs/dbraw/zinc/64/08/04/771640804.db2.gz SYGSKCOPTNPREP-UHFFFAOYSA-N 1 0 301.310 0.782 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccnc2C(N)=[NH2+])n1 ZINC001157628952 771644296 /nfs/dbraw/zinc/64/42/96/771644296.db2.gz JDWFSBIOFYFKMP-UHFFFAOYSA-N 1 0 304.270 0.121 20 5 DCBDRO O=C(C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccccc1 ZINC001157761735 771665056 /nfs/dbraw/zinc/66/50/56/771665056.db2.gz ZVWQMHGMYKRZLQ-CHWSQXEVSA-N 1 0 320.349 0.386 20 5 DCBDRO COc1nc(N(C(C)C)[C@@H]2CC[NH2+]C2)nc(OC)c1[N+](=O)[O-] ZINC001158025861 771714478 /nfs/dbraw/zinc/71/44/78/771714478.db2.gz QDGAHFIORLDMKC-SECBINFHSA-N 1 0 311.342 0.979 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(-n2nnc(-c3cccc(C[NH3+])c3)n2)n1 ZINC001158042525 771718428 /nfs/dbraw/zinc/71/84/28/771718428.db2.gz GJJXMPDWHMGAGR-UHFFFAOYSA-N 1 0 312.293 0.795 20 5 DCBDRO COc1ncnc(N2CCO[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC001158309740 771757736 /nfs/dbraw/zinc/75/77/36/771757736.db2.gz SFBCCILTPYGXDX-LLVKDONJSA-N 1 0 323.353 0.694 20 5 DCBDRO Cc1nc(N2CCO[C@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158314899 771758254 /nfs/dbraw/zinc/75/82/54/771758254.db2.gz NPQFPHRMARIPSL-GFCCVEGCSA-N 1 0 307.354 0.994 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001158635332 771797679 /nfs/dbraw/zinc/79/76/79/771797679.db2.gz GRBWQYDYYVJOBR-FZMZJTMJSA-N 1 0 306.322 0.721 20 5 DCBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncc([N+](=O)[O-])c(OC)n1 ZINC001159452723 771912891 /nfs/dbraw/zinc/91/28/91/771912891.db2.gz JSXIVMHXFWHELC-UHFFFAOYSA-N 1 0 323.309 0.616 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159502459 771920885 /nfs/dbraw/zinc/92/08/85/771920885.db2.gz NBKVQYAXBKNULU-ONGXEEELSA-N 1 0 324.337 0.955 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001159502591 771921068 /nfs/dbraw/zinc/92/10/68/771921068.db2.gz NTVHJNABUDMNPL-XVKPBYJWSA-N 1 0 324.341 0.440 20 5 DCBDRO C[C@@H]1COCC[C@@H]1Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001159709076 771947624 /nfs/dbraw/zinc/94/76/24/771947624.db2.gz NPEAQNAXJGEMAN-MNOVXSKESA-N 1 0 322.369 0.631 20 5 DCBDRO COc1nc(Nc2ccc(C[NH3+])nc2)nc(OC)c1[N+](=O)[O-] ZINC001160402018 772032679 /nfs/dbraw/zinc/03/26/79/772032679.db2.gz IWDUVNPISKUWJD-UHFFFAOYSA-N 1 0 306.282 0.999 20 5 DCBDRO CC(C)Oc1nc(-n2cc(C[NH3+])cnc2=N)ccc1[N+](=O)[O-] ZINC001161418406 772220959 /nfs/dbraw/zinc/22/09/59/772220959.db2.gz YAUODTJAADQFSJ-UHFFFAOYSA-N 1 0 304.310 0.901 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC001161464208 772227335 /nfs/dbraw/zinc/22/73/35/772227335.db2.gz UMKQDJATAVSYNA-ZDUSSCGKSA-N 1 0 307.354 0.466 20 5 DCBDRO COC(=O)[C@@H](Nc1ccc([N+](=O)[O-])c2c1CNC2=O)C(C)(C)[NH3+] ZINC001162956708 772436033 /nfs/dbraw/zinc/43/60/33/772436033.db2.gz RUXWWAWQUIIASE-LLVKDONJSA-N 1 0 322.321 0.529 20 5 DCBDRO O=[N+]([O-])c1cnc2ccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)cn21 ZINC001163106117 772463521 /nfs/dbraw/zinc/46/35/21/772463521.db2.gz VASBFEGWBPISBD-YUSALJHKSA-N 1 0 303.322 0.889 20 5 DCBDRO COC(=O)c1cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc([N+](=O)[O-])c1 ZINC001163146524 772471581 /nfs/dbraw/zinc/47/15/81/772471581.db2.gz QRVOZMTWPGKPSE-JHJVBQTASA-N 1 0 307.306 0.780 20 5 DCBDRO O=[N+]([O-])c1cnc2ccc(NC[C@]34C[NH2+]C[C@H]3COC4)cn21 ZINC001163152874 772472977 /nfs/dbraw/zinc/47/29/77/772472977.db2.gz CBCJOBMDURKHLN-HZMBPMFUSA-N 1 0 303.322 0.890 20 5 DCBDRO CC(=O)Nc1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163255364 772494879 /nfs/dbraw/zinc/49/48/79/772494879.db2.gz YQXLJVMQEFCHDD-JSGCOSHPSA-N 1 0 319.321 0.543 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1F ZINC001163310664 772504222 /nfs/dbraw/zinc/50/42/22/772504222.db2.gz NLACNVWURZXSCI-ZANVPECISA-N 1 0 312.301 0.690 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163335898 772507902 /nfs/dbraw/zinc/50/79/02/772507902.db2.gz BILLOJBPSWXLSF-BUYFANAVSA-N 1 0 300.702 0.423 20 5 DCBDRO CCOC(=O)c1ccnc(-n2cnc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164317033 772645535 /nfs/dbraw/zinc/64/55/35/772645535.db2.gz MMISENAIANDQBL-UHFFFAOYSA-N 1 0 317.305 0.998 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC([N@@H+](C)[C@@H]2CCOC2)C1 ZINC001165205566 772705607 /nfs/dbraw/zinc/70/56/07/772705607.db2.gz MAPFMTOSWXZODM-LLVKDONJSA-N 1 0 308.338 0.446 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001165291499 772718853 /nfs/dbraw/zinc/71/88/53/772718853.db2.gz FHWJRHZWAPUSMX-DGCLKSJQSA-N 1 0 308.338 0.351 20 5 DCBDRO O=[N+]([O-])c1cccc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)n1 ZINC001165344145 772725596 /nfs/dbraw/zinc/72/55/96/772725596.db2.gz NLGPTADPUOEJHR-CQSZACIVSA-N 1 0 308.338 0.575 20 5 DCBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001166699939 772843541 /nfs/dbraw/zinc/84/35/41/772843541.db2.gz DRZXYFOYLACJFS-SNVBAGLBSA-N 1 0 302.294 0.318 20 5 DCBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001166700109 772843594 /nfs/dbraw/zinc/84/35/94/772843594.db2.gz CEQRDRWOLAEEDV-SECBINFHSA-N 1 0 301.310 0.662 20 5 DCBDRO CN(CC1(C)COC1)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001166709440 772846675 /nfs/dbraw/zinc/84/66/75/772846675.db2.gz NXSRUXXCLQSTSW-UHFFFAOYSA-N 1 0 322.369 0.267 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@H]([NH3+])C(F)(F)C2)c([N+](=O)[O-])c1 ZINC001166961281 772890050 /nfs/dbraw/zinc/89/00/50/772890050.db2.gz OESAVTHZTBJUEV-VIFPVBQESA-N 1 0 316.264 0.949 20 5 DCBDRO CNC(=O)[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001195307810 773373598 /nfs/dbraw/zinc/37/35/98/773373598.db2.gz YFLCIDZLTWNLRZ-RYUDHWBXSA-N 1 0 323.349 0.402 20 5 DCBDRO CC[N@H+](C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC001214102563 773925866 /nfs/dbraw/zinc/92/58/66/773925866.db2.gz DNNCROPRQOQQEK-NSHDSACASA-N 1 0 314.367 0.705 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCO[C@@H]1CCCCO1 ZINC001224527850 775578111 /nfs/dbraw/zinc/57/81/11/775578111.db2.gz DQFNKFWVAXCSRQ-UKRRQHHQSA-N 1 0 304.407 0.920 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225612728 775699656 /nfs/dbraw/zinc/69/96/56/775699656.db2.gz JKEGENIDZSSZCV-LLVKDONJSA-N 1 0 313.330 0.966 20 5 DCBDRO CCOC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc1 ZINC001226695976 775862219 /nfs/dbraw/zinc/86/22/19/775862219.db2.gz SYCHCSRYPFSDBW-GFCCVEGCSA-N 1 0 311.358 0.621 20 5 DCBDRO CCOC(=O)c1cnoc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228715208 776118357 /nfs/dbraw/zinc/11/83/57/776118357.db2.gz CROUUCLOOJDCPR-SECBINFHSA-N 1 0 301.319 0.214 20 5 DCBDRO CC(=O)NCCc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001229666579 776210030 /nfs/dbraw/zinc/21/00/30/776210030.db2.gz PICYHGPNMVZKQQ-OAHLLOKOSA-O 1 0 323.413 0.728 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319369693 945571767 /nfs/dbraw/zinc/57/17/67/945571767.db2.gz MIQOYCPEYHTDJI-LBPRGKRZSA-N 1 0 322.365 0.557 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001320223053 945774434 /nfs/dbraw/zinc/77/44/34/945774434.db2.gz RFRNIQRHSZINGL-CQSZACIVSA-N 1 0 308.338 0.433 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001320398860 945858227 /nfs/dbraw/zinc/85/82/27/945858227.db2.gz MYJJKDFAKIETHM-LLVKDONJSA-N 1 0 324.385 0.084 20 5 DCBDRO C[NH+]1CCN(C2CN([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254611039 946415664 /nfs/dbraw/zinc/41/56/64/946415664.db2.gz OSHPURZBVJLMSJ-MRXNPFEDSA-N 1 0 316.405 0.994 20 5 DCBDRO CS(=O)(=O)N(C1C[NH2+]C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602580 946415531 /nfs/dbraw/zinc/41/55/31/946415531.db2.gz GNCHHBQNQMWWJL-GFCCVEGCSA-N 1 0 311.363 0.295 20 5 DCBDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001257454666 946735889 /nfs/dbraw/zinc/73/58/89/946735889.db2.gz SNSCAISCULEFIY-LLVKDONJSA-N 1 0 322.365 0.667 20 5 DCBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)C1 ZINC001324303529 947386618 /nfs/dbraw/zinc/38/66/18/947386618.db2.gz VRXUVGQCZKRJSB-HNNXBMFYSA-N 1 0 320.349 0.311 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCc1ccc2c(c1)C[NH2+]C2 ZINC001325856222 947954019 /nfs/dbraw/zinc/95/40/19/947954019.db2.gz UGXZRTRZXFNNBQ-UHFFFAOYSA-N 1 0 302.294 0.106 20 5 DCBDRO COC[C@](C)(CC(=O)OC)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC001191802408 947989530 /nfs/dbraw/zinc/98/95/30/947989530.db2.gz VALIBNJDNDHPBU-ZDUSSCGKSA-N 1 0 314.342 0.658 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC001326166872 948080567 /nfs/dbraw/zinc/08/05/67/948080567.db2.gz PUPRHLIVMPYORY-ZYHUDNBSSA-N 1 0 323.353 0.676 20 5 DCBDRO [NH3+]C[C@H]1CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)=NO1 ZINC001327568895 948554194 /nfs/dbraw/zinc/55/41/94/948554194.db2.gz CVZKWHQZQWJLTH-GFCCVEGCSA-N 1 0 304.306 0.583 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001263709188 948737658 /nfs/dbraw/zinc/73/76/58/948737658.db2.gz KGHPQTJQZMDIGY-BXUZGUMPSA-N 1 0 304.350 0.599 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)C1 ZINC001329760578 949851452 /nfs/dbraw/zinc/85/14/52/949851452.db2.gz RWFCMDKUGZDXBD-CKYFFXLPSA-N 1 0 323.353 0.676 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001330308636 950266444 /nfs/dbraw/zinc/26/64/44/950266444.db2.gz ZXGCPNDCISFTBV-NWDGAFQWSA-N 1 0 320.349 0.452 20 5 DCBDRO C[N@H+](CCCNC(=O)CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001490169352 950293225 /nfs/dbraw/zinc/29/32/25/950293225.db2.gz MJKILXHVWUIMHX-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO C[N@H+](CCCNC(=O)c1nnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001490264607 950522523 /nfs/dbraw/zinc/52/25/23/950522523.db2.gz QQJRFWFDXBLZAF-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO C[NH+]1CCC2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)CC1 ZINC001330629915 950558358 /nfs/dbraw/zinc/55/83/58/950558358.db2.gz BMRQEQRBHICTTC-UHFFFAOYSA-N 1 0 322.369 0.521 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333567196 952103213 /nfs/dbraw/zinc/10/32/13/952103213.db2.gz OUPNYVYJVMIBPH-VIFPVBQESA-N 1 0 306.322 0.161 20 5 DCBDRO Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)o1 ZINC001276002779 952607558 /nfs/dbraw/zinc/60/75/58/952607558.db2.gz YSPIKFNABIWPKN-DGCLKSJQSA-N 1 0 310.354 0.895 20 5 DCBDRO C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001336926479 952785601 /nfs/dbraw/zinc/78/56/01/952785601.db2.gz SPNLHSWYBATFTM-GFCCVEGCSA-N 1 0 321.381 0.860 20 5 DCBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001337480432 952864195 /nfs/dbraw/zinc/86/41/95/952864195.db2.gz LXYPSGKJRZTWLH-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001338798536 953052963 /nfs/dbraw/zinc/05/29/63/953052963.db2.gz XSHRGQODBCLIGX-RYUDHWBXSA-N 1 0 308.386 0.555 20 5 DCBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC[NH2+]CC1 ZINC001341839159 953253730 /nfs/dbraw/zinc/25/37/30/953253730.db2.gz MAIKWFJGQLATHT-UHFFFAOYSA-N 1 0 324.406 0.952 20 5 DCBDRO CN(CC(=O)N[C@H]1COC2(C[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001342125482 953270968 /nfs/dbraw/zinc/27/09/68/953270968.db2.gz JMHYGRQMNJPJRS-LLVKDONJSA-N 1 0 320.349 0.278 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001344369745 953475351 /nfs/dbraw/zinc/47/53/51/953475351.db2.gz YZRFAMPLYHCTDS-GFCCVEGCSA-N 1 0 324.337 0.588 20 5 DCBDRO C[C@H](CNC(=O)CN1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001345323321 953639515 /nfs/dbraw/zinc/63/95/15/953639515.db2.gz AGMSESXEZOAHHS-GFCCVEGCSA-N 1 0 306.366 0.720 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346567640 953920517 /nfs/dbraw/zinc/92/05/17/953920517.db2.gz YSWUQINAUIJPHZ-XHDPSFHLSA-N 1 0 316.361 0.825 20 5 DCBDRO O=[N+]([O-])c1c(N2CC([NH2+][C@@H]3CCOC3)C2)nc2ccccn21 ZINC001472888687 956557447 /nfs/dbraw/zinc/55/74/47/956557447.db2.gz LJLBAJJMFDGPBO-SNVBAGLBSA-N 1 0 303.322 0.810 20 5 DCBDRO C[C@@H](CNC(=O)[C@H]1C[NH2+]CCN1C)c1ccccc1[N+](=O)[O-] ZINC001355316828 956633649 /nfs/dbraw/zinc/63/36/49/956633649.db2.gz SFBGVSFTCKTQFG-SMDDNHRTSA-N 1 0 306.366 0.718 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)n1 ZINC001449804762 1014688779 /nfs/dbraw/zinc/68/87/79/1014688779.db2.gz WLPPPAXNFNZLLS-GFCCVEGCSA-N 1 0 322.365 0.875 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001464949975 1015973316 /nfs/dbraw/zinc/97/33/16/1015973316.db2.gz FCJHUDRXLSZFSE-NSHDSACASA-N 1 0 321.381 0.543 20 5 DCBDRO [NH3+]Cc1nccnc1N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001472737551 1016851607 /nfs/dbraw/zinc/85/16/07/1016851607.db2.gz RYPKTQLPMRQWAR-JTQLQIEISA-N 1 0 315.337 0.929 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC001473390245 1016928105 /nfs/dbraw/zinc/92/81/05/1016928105.db2.gz DHXNYBAZUVZGGT-GMXVVIOVSA-N 1 0 307.354 0.686 20 5 DCBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC001459949033 1012839451 /nfs/dbraw/zinc/83/94/51/1012839451.db2.gz GSWMDPSQPOBFTJ-FZMZJTMJSA-N 1 0 312.370 0.984 20 5 DCBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC001459949034 1012840272 /nfs/dbraw/zinc/84/02/72/1012840272.db2.gz GSWMDPSQPOBFTJ-RISCZKNCSA-N 1 0 312.370 0.984 20 5 DCBDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001521333900 1017348610 /nfs/dbraw/zinc/34/86/10/1017348610.db2.gz PRTGPEIBFRLAQE-IINYFYTJSA-N 1 0 307.350 0.696 20 5 DCBDRO Cc1cnc(CN(C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001502192850 1019798070 /nfs/dbraw/zinc/79/80/70/1019798070.db2.gz HGTIEXPBYBQSAX-VXGBXAGGSA-N 1 0 310.354 0.929 20 5 DCBDRO CC(C)(C[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420417501 535072656 /nfs/dbraw/zinc/07/26/56/535072656.db2.gz KRJUDDFBBROIRT-UHFFFAOYSA-N 1 0 301.368 0.794 20 5 DCBDRO O=C([C@@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171382404 197927654 /nfs/dbraw/zinc/92/76/54/197927654.db2.gz RJKLYVWCLKNPHI-GFCCVEGCSA-N 1 0 304.350 0.853 20 5 DCBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000154258484 291211884 /nfs/dbraw/zinc/21/18/84/291211884.db2.gz LXQZWRDTCOJLEA-LBPRGKRZSA-N 1 0 324.385 0.813 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNc1nc2ccc([N+](=O)[O-])cc2c(=O)[nH]1 ZINC000281172572 216129417 /nfs/dbraw/zinc/12/94/17/216129417.db2.gz MQEBYDSFXHHDOC-AWEZNQCLSA-N 1 0 321.337 0.968 20 5 DCBDRO CC[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000566235169 291286037 /nfs/dbraw/zinc/28/60/37/291286037.db2.gz RAUCEUVJDWAMHZ-JTQLQIEISA-N 1 0 302.352 0.729 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C(F)F ZINC000566231450 291285209 /nfs/dbraw/zinc/28/52/09/291285209.db2.gz CADZPPMDXRXATE-WPRPVWTQSA-N 1 0 306.265 0.550 20 5 DCBDRO Cc1c(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000415446779 239579031 /nfs/dbraw/zinc/57/90/31/239579031.db2.gz TXWBMOSCLJRFGQ-SNVBAGLBSA-N 1 0 308.338 0.941 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275452072 212341007 /nfs/dbraw/zinc/34/10/07/212341007.db2.gz STILALYZDJWCPP-UHFFFAOYSA-N 1 0 324.337 0.562 20 5 DCBDRO C[C@@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[NH2+]1 ZINC000420332155 240023434 /nfs/dbraw/zinc/02/34/34/240023434.db2.gz GENUTFRCWMJXKN-SECBINFHSA-N 1 0 322.321 0.556 20 5 DCBDRO CC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000567160557 291340022 /nfs/dbraw/zinc/34/00/22/291340022.db2.gz OCPSRQVVRKTPMO-NSHDSACASA-N 1 0 317.367 0.234 20 5 DCBDRO Cc1n[nH]c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1[N+](=O)[O-] ZINC000567268606 291346373 /nfs/dbraw/zinc/34/63/73/291346373.db2.gz JWTDFNHRXRWTCH-JTQLQIEISA-N 1 0 323.353 0.454 20 5 DCBDRO CC1(C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCO[C@@H]21 ZINC000567689084 291369845 /nfs/dbraw/zinc/36/98/45/291369845.db2.gz CASQNSCCNBKXNX-LOWDOPEQSA-N 1 0 310.354 0.555 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000567894583 291388905 /nfs/dbraw/zinc/38/89/05/291388905.db2.gz GEVZHJGPZWFRLC-YPMHNXCESA-N 1 0 309.370 0.657 20 5 DCBDRO Cn1cc([C@@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000275205544 212194751 /nfs/dbraw/zinc/19/47/51/212194751.db2.gz REYFYSZIYOMEHC-ZIAGYGMSSA-N 1 0 306.322 0.685 20 5 DCBDRO CN1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569332509 291473426 /nfs/dbraw/zinc/47/34/26/291473426.db2.gz UFHVQLRRRLUNHH-NEPJUHHUSA-N 1 0 323.349 0.545 20 5 DCBDRO NS(=O)(=O)c1ccc(NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110797976 194360268 /nfs/dbraw/zinc/36/02/68/194360268.db2.gz BGNANAPAFUJBMN-VIFPVBQESA-N 1 0 314.367 0.654 20 5 DCBDRO COCC[N@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272986126 210366905 /nfs/dbraw/zinc/36/69/05/210366905.db2.gz DRRHHHYFDMSHJI-LBPRGKRZSA-N 1 0 314.338 0.275 20 5 DCBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC2OCCO2)CC1 ZINC000298203442 285165940 /nfs/dbraw/zinc/16/59/40/285165940.db2.gz YGDPPYTXIVURBA-UHFFFAOYSA-N 1 0 308.338 0.875 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000346801709 254096888 /nfs/dbraw/zinc/09/68/88/254096888.db2.gz YLJCGVKAPMXMLR-WPRPVWTQSA-N 1 0 320.309 0.914 20 5 DCBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000347383242 254152294 /nfs/dbraw/zinc/15/22/94/254152294.db2.gz VHADGMGGTJPXDY-ZDUSSCGKSA-N 1 0 321.381 0.982 20 5 DCBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000347383240 254152586 /nfs/dbraw/zinc/15/25/86/254152586.db2.gz VHADGMGGTJPXDY-CYBMUJFWSA-N 1 0 321.381 0.982 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347610321 254171424 /nfs/dbraw/zinc/17/14/24/254171424.db2.gz WYKXWBGXAVRINR-NSHDSACASA-N 1 0 307.354 0.843 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000414661084 533225777 /nfs/dbraw/zinc/22/57/77/533225777.db2.gz WSIOBGLDELUDPV-JTQLQIEISA-N 1 0 310.310 0.795 20 5 DCBDRO C[NH2+]CCCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000036298065 395722967 /nfs/dbraw/zinc/72/29/67/395722967.db2.gz ZYBFAZWUMFPAQN-UHFFFAOYSA-N 1 0 303.340 0.491 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042742326 395748209 /nfs/dbraw/zinc/74/82/09/395748209.db2.gz SQVYVSQPIUKEAV-UHFFFAOYSA-N 1 0 310.310 0.034 20 5 DCBDRO O=C1CCCN1[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270571922 395785040 /nfs/dbraw/zinc/78/50/40/395785040.db2.gz OANLPZMTZZOEFM-LBPRGKRZSA-N 1 0 320.349 0.453 20 5 DCBDRO COc1cc(S(=O)(=O)NCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000194741693 395806412 /nfs/dbraw/zinc/80/64/12/395806412.db2.gz RNBWWVVCNAIBJC-UHFFFAOYSA-N 1 0 303.340 0.621 20 5 DCBDRO CN(C)S(=O)(=O)c1ccc(N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000050244121 395838075 /nfs/dbraw/zinc/83/80/75/395838075.db2.gz PYOJGHHBAGJCQM-SECBINFHSA-N 1 0 314.367 0.383 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000123993663 395899379 /nfs/dbraw/zinc/89/93/79/395899379.db2.gz SKJZVFGXBVLIDS-JQWIXIFHSA-N 1 0 320.349 0.581 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237647621 395916493 /nfs/dbraw/zinc/91/64/93/395916493.db2.gz UABYRAFTAKYOEB-SECBINFHSA-N 1 0 304.310 0.595 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000230736693 395881602 /nfs/dbraw/zinc/88/16/02/395881602.db2.gz UICSVSZBZQFBDE-GFCCVEGCSA-N 1 0 315.351 0.634 20 5 DCBDRO COC(C[N@H+](CCCO)CCn1ccc([N+](=O)[O-])n1)OC ZINC000273651252 395935821 /nfs/dbraw/zinc/93/58/21/395935821.db2.gz WKHXGCUFDDLFFO-UHFFFAOYSA-N 1 0 302.331 0.095 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000247451000 395974464 /nfs/dbraw/zinc/97/44/64/395974464.db2.gz QFTLVHCJHFJSPI-PWSUYJOCSA-N 1 0 309.370 0.898 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000063802478 395982779 /nfs/dbraw/zinc/98/27/79/395982779.db2.gz RDHCTPQJAMFSCG-UHFFFAOYSA-N 1 0 313.358 0.266 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261629736 396050918 /nfs/dbraw/zinc/05/09/18/396050918.db2.gz HLJKPGGGQHIKMX-QWRGUYRKSA-N 1 0 311.363 0.825 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000068467507 396056564 /nfs/dbraw/zinc/05/65/64/396056564.db2.gz HWSCRRKRORNUBE-LLVKDONJSA-N 1 0 307.354 0.700 20 5 DCBDRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000155915443 396059042 /nfs/dbraw/zinc/05/90/42/396059042.db2.gz DFVBYCDYDKQHOI-CYBMUJFWSA-N 1 0 313.379 0.761 20 5 DCBDRO C[C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[NH+](C)C ZINC000067136502 396021326 /nfs/dbraw/zinc/02/13/26/396021326.db2.gz KZSUMPYONMTNCC-SNVBAGLBSA-N 1 0 318.337 0.855 20 5 DCBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000074139779 396158108 /nfs/dbraw/zinc/15/81/08/396158108.db2.gz MPYJUOXRGIODIQ-LBPRGKRZSA-N 1 0 306.366 0.961 20 5 DCBDRO CO[C@@H](C[NH3+])CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262835641 396186059 /nfs/dbraw/zinc/18/60/59/396186059.db2.gz IIKKUXNUXHUNGV-ZYHUDNBSSA-N 1 0 323.353 0.366 20 5 DCBDRO Cc1nn(CCC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000262879755 396189411 /nfs/dbraw/zinc/18/94/11/396189411.db2.gz VVLLFJKBACGQAT-SKDRFNHKSA-N 1 0 309.370 0.912 20 5 DCBDRO COCC[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264276274 396266376 /nfs/dbraw/zinc/26/63/76/396266376.db2.gz NRZGKBKMJLZEJH-CYBMUJFWSA-N 1 0 314.338 0.275 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000183918056 396277396 /nfs/dbraw/zinc/27/73/96/396277396.db2.gz OXWZWLXJQHSMPP-UHFFFAOYSA-N 1 0 324.381 0.461 20 5 DCBDRO CN1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000178923001 396214532 /nfs/dbraw/zinc/21/45/32/396214532.db2.gz LALVIEXTGOHBKL-UHFFFAOYSA-N 1 0 313.379 0.715 20 5 DCBDRO CC[NH+]1CCN(c2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000077291031 396217118 /nfs/dbraw/zinc/21/71/18/396217118.db2.gz DZTJTDVJBHUBMZ-UHFFFAOYSA-N 1 0 314.367 0.384 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000264562604 396291244 /nfs/dbraw/zinc/29/12/44/396291244.db2.gz QWIKUKYPFIOTGX-GFCCVEGCSA-N 1 0 323.349 0.811 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184838007 396307588 /nfs/dbraw/zinc/30/75/88/396307588.db2.gz WJJFLGPVTOWBSL-UHFFFAOYSA-N 1 0 311.342 0.270 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000185989125 396338181 /nfs/dbraw/zinc/33/81/81/396338181.db2.gz UPDRFUMDLDLNDE-GFCCVEGCSA-N 1 0 317.367 0.186 20 5 DCBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000285963656 396365818 /nfs/dbraw/zinc/36/58/18/396365818.db2.gz GZSJZSOMMBRIKU-ISTVAULSSA-N 1 0 308.338 0.259 20 5 DCBDRO CNC(=O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000269331846 396408119 /nfs/dbraw/zinc/40/81/19/396408119.db2.gz AKQGDCSEYMDFEG-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000269634476 396431068 /nfs/dbraw/zinc/43/10/68/396431068.db2.gz QBABFYHJJCCCIG-LBPRGKRZSA-N 1 0 322.365 0.605 20 5 DCBDRO Cc1c(CC(=O)NC[C@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000269744168 396442148 /nfs/dbraw/zinc/44/21/48/396442148.db2.gz WWQBSBPWNMXQDI-AWEZNQCLSA-N 1 0 320.393 0.808 20 5 DCBDRO Cc1cnc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000594576871 396487972 /nfs/dbraw/zinc/48/79/72/396487972.db2.gz DCYNNDNEKPLHOP-AWEZNQCLSA-N 1 0 319.365 0.996 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628714 396491711 /nfs/dbraw/zinc/49/17/11/396491711.db2.gz COOSTWGSRNNNPB-UHFFFAOYSA-N 1 0 307.354 0.926 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000519603299 396520027 /nfs/dbraw/zinc/52/00/27/396520027.db2.gz HQENLGIJDYLZMU-IUCAKERBSA-N 1 0 324.337 0.784 20 5 DCBDRO O=C1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]2N1 ZINC000595729888 396652841 /nfs/dbraw/zinc/65/28/41/396652841.db2.gz WEXZYUTZODICTK-AAEUAGOBSA-N 1 0 320.349 0.357 20 5 DCBDRO CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595394921 396601423 /nfs/dbraw/zinc/60/14/23/396601423.db2.gz KVDMOCBRUBEPQI-LLVKDONJSA-N 1 0 317.342 0.857 20 5 DCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000582360599 396605853 /nfs/dbraw/zinc/60/58/53/396605853.db2.gz VRSVVHZSPCJERJ-GHMZBOCLSA-N 1 0 322.365 0.496 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000582431999 396610910 /nfs/dbraw/zinc/61/09/10/396610910.db2.gz YOGJJNBUTRTLJS-WCBMZHEXSA-N 1 0 310.741 0.996 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC(O)(C3CC3)C2)c1 ZINC000373753786 396611746 /nfs/dbraw/zinc/61/17/46/396611746.db2.gz LQTWGYLEABIONG-ZDUSSCGKSA-N 1 0 308.334 0.791 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCN2CCOCC2)CC2CC2)n1 ZINC000595806037 396665285 /nfs/dbraw/zinc/66/52/85/396665285.db2.gz DORNZRSRRIVFRC-UHFFFAOYSA-N 1 0 323.397 0.836 20 5 DCBDRO O=C(CCNC1(CO)CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595901829 396679325 /nfs/dbraw/zinc/67/93/25/396679325.db2.gz KVJASVCWJBWIRM-UHFFFAOYSA-N 1 0 322.365 0.628 20 5 DCBDRO [NH3+][C@H]1C[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000595927509 396684473 /nfs/dbraw/zinc/68/44/73/396684473.db2.gz OATVRYNLVRLGFZ-XYPYZODXSA-N 1 0 305.338 0.376 20 5 DCBDRO COc1ccc(CC(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000562981290 396690089 /nfs/dbraw/zinc/69/00/89/396690089.db2.gz AKMCYYKODIPDMG-LLVKDONJSA-N 1 0 309.322 0.251 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295320365 396691743 /nfs/dbraw/zinc/69/17/43/396691743.db2.gz WUWODRQVGPWQPS-HWNAMQAFSA-N 1 0 318.333 0.047 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000588867077 396696691 /nfs/dbraw/zinc/69/66/91/396696691.db2.gz WERFPEOJCLHSKM-SNVBAGLBSA-N 1 0 315.757 0.829 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1 ZINC000588870384 396696960 /nfs/dbraw/zinc/69/69/60/396696960.db2.gz YXXUYTQFRZVLIN-LLVKDONJSA-N 1 0 323.349 0.790 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000563117158 396704635 /nfs/dbraw/zinc/70/46/35/396704635.db2.gz UTECAEIJVRWUDH-MRVPVSSYSA-N 1 0 305.285 0.589 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326739 396729865 /nfs/dbraw/zinc/72/98/65/396729865.db2.gz SVRHNZZURZSZDB-OCCSQVGLSA-N 1 0 311.386 0.426 20 5 DCBDRO COC1CC[NH+](CCNC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000610573012 396731403 /nfs/dbraw/zinc/73/14/03/396731403.db2.gz JJQAQWFLAAXZEU-UHFFFAOYSA-N 1 0 311.342 0.018 20 5 DCBDRO Nc1ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)nc1[N+](=O)[O-] ZINC000590584846 396803639 /nfs/dbraw/zinc/80/36/39/396803639.db2.gz OCWYCABMDVUKAJ-LLVKDONJSA-N 1 0 307.354 0.731 20 5 DCBDRO CC[N@H+](C)C[C@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000319555144 396811462 /nfs/dbraw/zinc/81/14/62/396811462.db2.gz OIHNFLXYZGWDSY-NSHDSACASA-N 1 0 306.322 0.617 20 5 DCBDRO Cc1noc(C)c1C[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564856855 396884012 /nfs/dbraw/zinc/88/40/12/396884012.db2.gz YZVCQUGXEGKESF-ZANVPECISA-N 1 0 323.353 0.978 20 5 DCBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc([N+](=O)[O-])c1C ZINC000600532218 396885618 /nfs/dbraw/zinc/88/56/18/396885618.db2.gz HUSRRYLHIMNBFQ-GFCCVEGCSA-N 1 0 323.349 0.708 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000591374444 396911959 /nfs/dbraw/zinc/91/19/59/396911959.db2.gz GQYNOQSHYMUNKE-QWRGUYRKSA-N 1 0 320.349 0.420 20 5 DCBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1COCCN1 ZINC000600678705 396915469 /nfs/dbraw/zinc/91/54/69/396915469.db2.gz SSSLSEGYSWQPDQ-YPMHNXCESA-N 1 0 322.365 0.890 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCOCC[NH3+] ZINC000600735811 396933922 /nfs/dbraw/zinc/93/39/22/396933922.db2.gz VULSXJTWPDDYEE-UHFFFAOYSA-N 1 0 310.354 0.749 20 5 DCBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCOCC[NH3+] ZINC000600733606 396934096 /nfs/dbraw/zinc/93/40/96/396934096.db2.gz KYINNCKKEFQDHT-NSHDSACASA-N 1 0 310.354 0.829 20 5 DCBDRO CN(CCOCC[NH3+])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000600774411 396941208 /nfs/dbraw/zinc/94/12/08/396941208.db2.gz KJJQMOKECBYHSU-UHFFFAOYSA-N 1 0 311.338 0.773 20 5 DCBDRO Cc1c(CC(=O)NCC[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600809503 396947664 /nfs/dbraw/zinc/94/76/64/396947664.db2.gz ZTTNZGVDYRZSBO-ZDUSSCGKSA-N 1 0 307.350 0.629 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](N3CCOCC3)C2)n1 ZINC000571698605 396979794 /nfs/dbraw/zinc/97/97/94/396979794.db2.gz UDCSMDPSJGOEMP-CYBMUJFWSA-N 1 0 309.370 0.588 20 5 DCBDRO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571778545 396987496 /nfs/dbraw/zinc/98/74/96/396987496.db2.gz WDKRYQZVFGKUOD-CYBMUJFWSA-N 1 0 320.349 0.551 20 5 DCBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000591686503 396977587 /nfs/dbraw/zinc/97/75/87/396977587.db2.gz NPMNWYRGVMJWTC-GFCCVEGCSA-N 1 0 307.354 0.953 20 5 DCBDRO CCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593231 397107999 /nfs/dbraw/zinc/10/79/99/397107999.db2.gz MJCXTRYGUJTCBQ-ZJUUUORDSA-N 1 0 323.353 0.473 20 5 DCBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1csc([N+](=O)[O-])c1 ZINC000592303025 397147031 /nfs/dbraw/zinc/14/70/31/397147031.db2.gz ANKIDJYEHOVTMC-UHFFFAOYSA-N 1 0 323.338 0.436 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592306605 397148025 /nfs/dbraw/zinc/14/80/25/397148025.db2.gz CRGMXLUSYMNNGB-WPRPVWTQSA-N 1 0 311.342 0.459 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC(C)(C)[NH3+] ZINC000592372361 397162676 /nfs/dbraw/zinc/16/26/76/397162676.db2.gz RQBQNCLVIXBEML-UHFFFAOYSA-N 1 0 303.340 0.619 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000592382789 397163975 /nfs/dbraw/zinc/16/39/75/397163975.db2.gz UORICSDLQJESTB-VIFPVBQESA-N 1 0 315.351 0.619 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000592432085 397176968 /nfs/dbraw/zinc/17/69/68/397176968.db2.gz LGKUYLYFXWHDEJ-MWLCHTKSSA-N 1 0 324.255 0.847 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 ZINC000592476528 397187276 /nfs/dbraw/zinc/18/72/76/397187276.db2.gz HMWHUXOLTWIREW-OQPBUACISA-N 1 0 323.305 0.512 20 5 DCBDRO CN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@@H](C[NH3+])C1 ZINC000573962927 397222998 /nfs/dbraw/zinc/22/29/98/397222998.db2.gz PDPWETPTZBWGED-JTQLQIEISA-N 1 0 318.337 0.186 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)n1 ZINC000601972371 397276597 /nfs/dbraw/zinc/27/65/97/397276597.db2.gz ZOERDFDVARDQQI-OKILXGFUSA-N 1 0 307.354 0.883 20 5 DCBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CC[C@H](O)C2)n1 ZINC000599092993 397334831 /nfs/dbraw/zinc/33/48/31/397334831.db2.gz LPPVLBJDGXXRKS-IHRRRGAJSA-N 1 0 323.397 0.931 20 5 DCBDRO Cc1cc(N2CC(C[NH+]3CCN(C)CC3)C2)ncc1[N+](=O)[O-] ZINC000599109339 397340120 /nfs/dbraw/zinc/34/01/20/397340120.db2.gz UQCNQQYJGXXWOK-UHFFFAOYSA-N 1 0 305.382 0.982 20 5 DCBDRO O=[N+]([O-])c1cccc2ncnc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c21 ZINC000593505555 397377493 /nfs/dbraw/zinc/37/74/93/397377493.db2.gz XLYXXBGXIZGFIS-LLVKDONJSA-N 1 0 315.333 0.793 20 5 DCBDRO CC(C)(C(=O)N[C@@H](C[NH3+])C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000594450730 397554282 /nfs/dbraw/zinc/55/42/82/397554282.db2.gz WQILDBSGESJLFU-ZETCQYMHSA-N 1 0 309.248 0.532 20 5 DCBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000579595522 397583393 /nfs/dbraw/zinc/58/33/93/397583393.db2.gz ZLQOWQYHAYDNQE-LBPRGKRZSA-N 1 0 322.369 0.423 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000579142395 397529413 /nfs/dbraw/zinc/52/94/13/397529413.db2.gz CLKQWKHKEJOPDK-PSASIEDQSA-N 1 0 324.312 0.491 20 5 DCBDRO C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000599919403 397540614 /nfs/dbraw/zinc/54/06/14/397540614.db2.gz VUKGMSWANOJELY-WDEREUQCSA-N 1 0 308.338 0.943 20 5 DCBDRO Cc1c(CNC(=O)NC[C@@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000599918793 397541009 /nfs/dbraw/zinc/54/10/09/397541009.db2.gz QNOLMNSLSSPIJQ-GFCCVEGCSA-N 1 0 308.338 0.691 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c1 ZINC000579705556 397588848 /nfs/dbraw/zinc/58/88/48/397588848.db2.gz POLSMFSZBAMLOE-YUTCNCBUSA-N 1 0 310.354 0.699 20 5 DCBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000609571589 397782366 /nfs/dbraw/zinc/78/23/66/397782366.db2.gz FDZXCNHWLGLINH-NSHDSACASA-N 1 0 321.381 0.821 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000261679161 286382220 /nfs/dbraw/zinc/38/22/20/286382220.db2.gz HWQLXXGRESABIB-LLVKDONJSA-N 1 0 322.365 0.895 20 5 DCBDRO Cc1nn(C)c(N2CCC([N@H+](C)CCCO)CC2)c1[N+](=O)[O-] ZINC000115519835 158161393 /nfs/dbraw/zinc/16/13/93/158161393.db2.gz VAHGHEWGLOBPKP-UHFFFAOYSA-N 1 0 311.386 0.920 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000131872237 158307179 /nfs/dbraw/zinc/30/71/79/158307179.db2.gz VUDQARWZMZFLTI-VIFPVBQESA-N 1 0 315.351 0.491 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000133228426 158317192 /nfs/dbraw/zinc/31/71/92/158317192.db2.gz RQAFOKAGPLQABX-VIFPVBQESA-N 1 0 317.367 0.737 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000133257650 158317360 /nfs/dbraw/zinc/31/73/60/158317360.db2.gz OZRVNZUSTAMKCW-UHFFFAOYSA-N 1 0 303.340 0.619 20 5 DCBDRO O=C1NCCCN1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000135404074 158336404 /nfs/dbraw/zinc/33/64/04/158336404.db2.gz IBAFCBNWMBLOKA-UHFFFAOYSA-N 1 0 322.369 0.671 20 5 DCBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000165539636 158364824 /nfs/dbraw/zinc/36/48/24/158364824.db2.gz YMCOPAOYZQJVQZ-OAHLLOKOSA-N 1 0 322.340 0.945 20 5 DCBDRO COc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000195256929 158608681 /nfs/dbraw/zinc/60/86/81/158608681.db2.gz UTLSVFWDBCGLCD-AOOOYVTPSA-N 1 0 321.333 0.903 20 5 DCBDRO CN(C(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000359295402 159264042 /nfs/dbraw/zinc/26/40/42/159264042.db2.gz CLYYNBYPJYSWDC-TXEJJXNPSA-N 1 0 304.350 0.709 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367364552 159333359 /nfs/dbraw/zinc/33/33/59/159333359.db2.gz FRWHOJXLRYYCCZ-UHFFFAOYSA-N 1 0 302.294 0.471 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000374626993 159743421 /nfs/dbraw/zinc/74/34/21/159743421.db2.gz GPQSWCDZTUVSBY-RAIGVLPGSA-N 1 0 307.354 0.767 20 5 DCBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000408380450 160096183 /nfs/dbraw/zinc/09/61/83/160096183.db2.gz ZKAZSZPBPVWQPI-QWRGUYRKSA-N 1 0 308.342 0.129 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357265227 287204522 /nfs/dbraw/zinc/20/45/22/287204522.db2.gz SQLMEYHQMQRCOT-SNVBAGLBSA-N 1 0 322.369 0.137 20 5 DCBDRO COC[C@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCC[NH2+]1 ZINC000357272486 287205521 /nfs/dbraw/zinc/20/55/21/287205521.db2.gz MFVITCCSSHKWTH-CQSZACIVSA-N 1 0 308.338 0.675 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+](C)C ZINC000045164334 415241175 /nfs/dbraw/zinc/24/11/75/415241175.db2.gz RTXVMSYIZGJYSM-NSHDSACASA-N 1 0 322.365 0.781 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000332138765 415264899 /nfs/dbraw/zinc/26/48/99/415264899.db2.gz LVKVMMBFFFLAKG-CYBMUJFWSA-N 1 0 322.413 0.540 20 5 DCBDRO CC(C)[NH2+]C1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000072605986 415416176 /nfs/dbraw/zinc/41/61/76/415416176.db2.gz XFHHVDOJJKMWSA-CQSZACIVSA-N 1 0 311.386 0.615 20 5 DCBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCn2cc(CO)nn2)c(F)c1 ZINC000353225929 415483832 /nfs/dbraw/zinc/48/38/32/415483832.db2.gz YDEULLILOYFSGR-UHFFFAOYSA-N 1 0 309.301 0.998 20 5 DCBDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000081903085 415488250 /nfs/dbraw/zinc/48/82/50/415488250.db2.gz PXEVAMFODXZJRN-JTQLQIEISA-N 1 0 302.352 0.996 20 5 DCBDRO NS(=O)(=O)c1cccc(NCC[NH+]2CCC2)c1[N+](=O)[O-] ZINC000353280872 415495023 /nfs/dbraw/zinc/49/50/23/415495023.db2.gz GXSHYBXTTLHLHY-UHFFFAOYSA-N 1 0 300.340 0.360 20 5 DCBDRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343422479 415593874 /nfs/dbraw/zinc/59/38/74/415593874.db2.gz VDUZYSHHZKGPRO-ZDUSSCGKSA-N 1 0 321.333 0.760 20 5 DCBDRO C[C@H](O)C[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931057 415738917 /nfs/dbraw/zinc/73/89/17/415738917.db2.gz UVGOGMQIQBAONI-WCQYABFASA-N 1 0 314.338 0.010 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000290177755 415772621 /nfs/dbraw/zinc/77/26/21/415772621.db2.gz PIMPQNNZONOIFI-VHSXEESVSA-N 1 0 307.354 0.952 20 5 DCBDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000120132879 415758091 /nfs/dbraw/zinc/75/80/91/415758091.db2.gz ZJFZWDQQZUHFFY-NSHDSACASA-N 1 0 316.321 0.657 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CSc1nnnn1CC[NH+](C)C ZINC000356591994 415957435 /nfs/dbraw/zinc/95/74/35/415957435.db2.gz JPQJJYIBMRUGCG-UHFFFAOYSA-N 1 0 312.359 0.169 20 5 DCBDRO CC(C)[N@H+](C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000301164333 416076405 /nfs/dbraw/zinc/07/64/05/416076405.db2.gz UXJAPNSRAOPXRW-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO O=C(CC[NH+]1[C@@H](CO)CC[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000298429363 416007772 /nfs/dbraw/zinc/00/77/72/416007772.db2.gz GIOBHTZLSRLEJL-VXGBXAGGSA-N 1 0 323.349 0.741 20 5 DCBDRO Cc1c(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000298599357 416017581 /nfs/dbraw/zinc/01/75/81/416017581.db2.gz LRBIKUCXWUAEBJ-SECBINFHSA-N 1 0 308.338 0.908 20 5 DCBDRO COC[C@@H](O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000338481573 416102335 /nfs/dbraw/zinc/10/23/35/416102335.db2.gz ZIERCDDZHWGJRE-JTQLQIEISA-N 1 0 300.311 0.709 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(Cc3ncc[nH]3)CC2)n1 ZINC000357912014 416152465 /nfs/dbraw/zinc/15/24/65/416152465.db2.gz NZHLGBRPLZCSTQ-UHFFFAOYSA-N 1 0 319.325 0.009 20 5 DCBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178770924 416171864 /nfs/dbraw/zinc/17/18/64/416171864.db2.gz SVGAKRNEHFLINZ-SECBINFHSA-N 1 0 316.317 0.918 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000331137324 416272274 /nfs/dbraw/zinc/27/22/74/416272274.db2.gz JEDXAKBGXJNDDT-SNVBAGLBSA-N 1 0 320.296 0.244 20 5 DCBDRO NC(=O)c1cccc(NCC2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000342216633 416296462 /nfs/dbraw/zinc/29/64/62/416296462.db2.gz DLLNJBYYDZWEPA-UHFFFAOYSA-N 1 0 322.365 0.810 20 5 DCBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248577553 416333577 /nfs/dbraw/zinc/33/35/77/416333577.db2.gz DWIBEWROOSJZMA-GARJFASQSA-N 1 0 311.363 0.953 20 5 DCBDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415659289 416350697 /nfs/dbraw/zinc/35/06/97/416350697.db2.gz VZMDCLUSRQSCHA-UWVGGRQHSA-N 1 0 306.322 0.919 20 5 DCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000237896382 416329304 /nfs/dbraw/zinc/32/93/04/416329304.db2.gz FGKNHUGBVKDVLD-GFCCVEGCSA-N 1 0 320.349 0.522 20 5 DCBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCCN1CC[NH2+]CC1 ZINC000238054459 416329817 /nfs/dbraw/zinc/32/98/17/416329817.db2.gz YXDQNBIQXGUTFE-UHFFFAOYSA-N 1 0 321.381 0.418 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000423698530 416542592 /nfs/dbraw/zinc/54/25/92/416542592.db2.gz NKMWRCUMGLRPBS-VIFPVBQESA-N 1 0 300.265 0.904 20 5 DCBDRO CCC[NH2+]CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423466810 416514605 /nfs/dbraw/zinc/51/46/05/416514605.db2.gz TYDIAYZSJAJSQD-UHFFFAOYSA-N 1 0 322.365 0.749 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCO1 ZINC000423995089 416602669 /nfs/dbraw/zinc/60/26/69/416602669.db2.gz UGXHZZDJBKJBSS-LLVKDONJSA-N 1 0 309.322 0.468 20 5 DCBDRO Nc1nccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000539415652 416579477 /nfs/dbraw/zinc/57/94/77/416579477.db2.gz JKZSLGITHBSGTE-VIFPVBQESA-N 1 0 305.338 0.786 20 5 DCBDRO C[C@H]1C[N@H+](CCCNc2ccc(N)c([N+](=O)[O-])n2)CCCO1 ZINC000596208333 416579772 /nfs/dbraw/zinc/57/97/72/416579772.db2.gz KAFBSUXOOZIELT-NSHDSACASA-N 1 0 309.370 1.485 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)C[C@H]2[NH3+])cn1 ZINC000424232870 416630637 /nfs/dbraw/zinc/63/06/37/416630637.db2.gz IAWATCFHLZBORP-VHSXEESVSA-N 1 0 321.362 0.957 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000610485221 416656983 /nfs/dbraw/zinc/65/69/83/416656983.db2.gz OQISVUGDCOFIJZ-AWEZNQCLSA-N 1 0 322.413 0.503 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000610484825 416657037 /nfs/dbraw/zinc/65/70/37/416657037.db2.gz IDABLKOFNSMTMX-CYBMUJFWSA-N 1 0 309.370 0.588 20 5 DCBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000514951500 416686206 /nfs/dbraw/zinc/68/62/06/416686206.db2.gz LOUJCLWSGCAFRW-ZWNOBZJWSA-N 1 0 303.322 0.824 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000516563025 416726036 /nfs/dbraw/zinc/72/60/36/416726036.db2.gz OLIFDUFXWIRDCC-SECBINFHSA-N 1 0 323.305 0.084 20 5 DCBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000557463443 416734590 /nfs/dbraw/zinc/73/45/90/416734590.db2.gz SLHQDWHTHYEUDX-JTQLQIEISA-N 1 0 307.354 1.246 20 5 DCBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000517082567 416780000 /nfs/dbraw/zinc/78/00/00/416780000.db2.gz ZOUJCEHIYDIEOZ-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO Cn1cc([C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@H]2CO)cn1 ZINC000444748279 416866815 /nfs/dbraw/zinc/86/68/15/416866815.db2.gz OWMSCJGKFOFTRW-JSGCOSHPSA-N 1 0 320.353 0.233 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000445548780 416893004 /nfs/dbraw/zinc/89/30/04/416893004.db2.gz MBIYIRLWFHWGGK-DTWKUNHWSA-N 1 0 317.371 0.359 20 5 DCBDRO O=C(NC1CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000428737015 416921733 /nfs/dbraw/zinc/92/17/33/416921733.db2.gz WCHXGYQEDQBRCJ-UHFFFAOYSA-N 1 0 307.306 0.848 20 5 DCBDRO C[C@@H](O)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000519636124 416922390 /nfs/dbraw/zinc/92/23/90/416922390.db2.gz CBHUMYNCVFXBLR-NXEZZACHSA-N 1 0 317.367 0.232 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@H](C)[NH3+] ZINC000429041043 416942189 /nfs/dbraw/zinc/94/21/89/416942189.db2.gz NYHXADYEXVWTHL-WCBMZHEXSA-N 1 0 312.374 0.681 20 5 DCBDRO [NH3+]CCCCn1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)nn1 ZINC000521868794 417033483 /nfs/dbraw/zinc/03/34/83/417033483.db2.gz QAWPXRCKPWKHQN-UHFFFAOYSA-N 1 0 318.337 0.855 20 5 DCBDRO COc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000447240711 416972714 /nfs/dbraw/zinc/97/27/14/416972714.db2.gz SKYMHNWTNKVQFO-SCZZXKLOSA-N 1 0 315.351 0.571 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000447243988 416973471 /nfs/dbraw/zinc/97/34/71/416973471.db2.gz CDOJZYAEMLPYOZ-MRVPVSSYSA-N 1 0 303.340 0.477 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069237 416992885 /nfs/dbraw/zinc/99/28/85/416992885.db2.gz CZCKOANKISPCGO-GXTWGEPZSA-N 1 0 320.349 0.217 20 5 DCBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429789339 416997060 /nfs/dbraw/zinc/99/70/60/416997060.db2.gz RTZLECUVCTTZMV-RYUDHWBXSA-N 1 0 320.349 0.698 20 5 DCBDRO C[N@@H+]1CC[C@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000521415603 417010483 /nfs/dbraw/zinc/01/04/83/417010483.db2.gz QHCLFKCETABHDZ-NSHDSACASA-N 1 0 307.354 0.907 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000565769681 417013532 /nfs/dbraw/zinc/01/35/32/417013532.db2.gz OXHDOJNNFYNHQV-ZDUSSCGKSA-N 1 0 306.322 0.951 20 5 DCBDRO CN(CCOc1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000430597388 417048080 /nfs/dbraw/zinc/04/80/80/417048080.db2.gz AFRWDWQEKLHMMU-UHFFFAOYSA-N 1 0 322.365 0.337 20 5 DCBDRO C[NH2+][C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430614694 417052243 /nfs/dbraw/zinc/05/22/43/417052243.db2.gz ZXJHUIMMZCCAEH-SMDDNHRTSA-N 1 0 304.350 0.994 20 5 DCBDRO C[N@H+](CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C1CC1 ZINC000524274153 417105519 /nfs/dbraw/zinc/10/55/19/417105519.db2.gz AYHDNPYKOFQYHK-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO CNS(=O)(=O)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449272972 417133023 /nfs/dbraw/zinc/13/30/23/417133023.db2.gz XREOQLUVODWHPG-SNVBAGLBSA-N 1 0 301.368 0.665 20 5 DCBDRO Cc1n[nH]cc1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568502284 417144056 /nfs/dbraw/zinc/14/40/56/417144056.db2.gz MFKBXKBLYCHRLB-ZDUSSCGKSA-N 1 0 308.342 0.406 20 5 DCBDRO O=C(C[C@@H]1COCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000569474704 417257760 /nfs/dbraw/zinc/25/77/60/417257760.db2.gz WEOSZNGXBLWBNM-LLVKDONJSA-N 1 0 309.322 0.468 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000570201922 417324740 /nfs/dbraw/zinc/32/47/40/417324740.db2.gz NMAIOLABFIVNSE-JQWIXIFHSA-N 1 0 311.338 0.401 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@H]21 ZINC000570569933 417368594 /nfs/dbraw/zinc/36/85/94/417368594.db2.gz MBVXDUWDHAZTNO-GGZOMVNGSA-N 1 0 306.322 0.895 20 5 DCBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccncc1[N+](=O)[O-] ZINC000455032281 417589973 /nfs/dbraw/zinc/58/99/73/417589973.db2.gz BIJOTVDWCHJCBO-NSHDSACASA-N 1 0 323.353 0.380 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000576703811 417629606 /nfs/dbraw/zinc/62/96/06/417629606.db2.gz RQWSTPOJXZDFKR-CABCVRRESA-N 1 0 320.349 0.345 20 5 DCBDRO CS(=O)(=O)N1CC(C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000189699431 261132458 /nfs/dbraw/zinc/13/24/58/261132458.db2.gz HJEBMHBVTVATLW-UHFFFAOYSA-N 1 0 305.381 0.637 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237197230 261158117 /nfs/dbraw/zinc/15/81/17/261158117.db2.gz MDTDEXBHIJIXKL-JTQLQIEISA-N 1 0 318.337 0.761 20 5 DCBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1 ZINC000320391277 261177233 /nfs/dbraw/zinc/17/72/33/261177233.db2.gz TVIHMOOWDWIECF-AATRIKPKSA-N 1 0 318.333 0.156 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356145674 261396801 /nfs/dbraw/zinc/39/68/01/261396801.db2.gz AJSNSOTWQXXUOL-LLVKDONJSA-N 1 0 324.385 0.084 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000357714369 261575986 /nfs/dbraw/zinc/57/59/86/261575986.db2.gz GYVMQOUGMUEUHT-DTWKUNHWSA-N 1 0 317.392 0.886 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417211425 262247892 /nfs/dbraw/zinc/24/78/92/262247892.db2.gz ACGBKVNDCNEHMZ-AWEZNQCLSA-N 1 0 322.365 0.815 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418474720 262278628 /nfs/dbraw/zinc/27/86/28/262278628.db2.gz PZUQBTAVQJEVBI-JTQLQIEISA-N 1 0 308.338 0.962 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419132255 262311964 /nfs/dbraw/zinc/31/19/64/262311964.db2.gz DTPUWWZFOVDPIF-BXKDBHETSA-N 1 0 320.349 0.626 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000419980215 262355245 /nfs/dbraw/zinc/35/52/45/262355245.db2.gz QTLBOJKCZSSPKD-LLVKDONJSA-N 1 0 322.365 0.525 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044362880 270938853 /nfs/dbraw/zinc/93/88/53/270938853.db2.gz YIWJBWOLIYSKBI-UHFFFAOYSA-N 1 0 312.395 0.976 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)c2cccc(F)c2)c1 ZINC000359626791 271134012 /nfs/dbraw/zinc/13/40/12/271134012.db2.gz RLWFQHFQHLXNTB-UONOGXRCSA-N 1 0 324.312 0.615 20 5 DCBDRO CC[C@@H]([NH3+])CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420439696 271369752 /nfs/dbraw/zinc/36/97/52/271369752.db2.gz MMQHCOLTMBLNFN-LLVKDONJSA-N 1 0 301.368 0.794 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000422834661 271388650 /nfs/dbraw/zinc/38/86/50/271388650.db2.gz XFKIVLQNXAKLKT-SECBINFHSA-N 1 0 309.322 0.967 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429238298 271452142 /nfs/dbraw/zinc/45/21/42/271452142.db2.gz ZATMIFPPTOJUEE-JTQLQIEISA-N 1 0 323.349 0.880 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000447241487 271779291 /nfs/dbraw/zinc/77/92/91/271779291.db2.gz AOXKDRXHJYKKNF-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO COC(C)(C)C[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000519764314 287681672 /nfs/dbraw/zinc/68/16/72/287681672.db2.gz WEQSNRPITBFYJL-ZYHUDNBSSA-N 1 0 300.359 0.945 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCC[NH+](C)C ZINC000552081464 288264003 /nfs/dbraw/zinc/26/40/03/288264003.db2.gz JVVMWPSIIPGOJF-MRVPVSSYSA-N 1 0 314.367 0.452 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)n1 ZINC000564227829 288732633 /nfs/dbraw/zinc/73/26/33/288732633.db2.gz ROLSMLLLOLKTBE-MNOVXSKESA-N 1 0 305.338 0.355 20 5 DCBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000564321129 288735848 /nfs/dbraw/zinc/73/58/48/288735848.db2.gz GCTCOBACUXLEOD-JTQLQIEISA-N 1 0 302.294 0.103 20 5 DCBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564856853 288778566 /nfs/dbraw/zinc/77/85/66/288778566.db2.gz YZVCQUGXEGKESF-RNCFNFMXSA-N 1 0 323.353 0.978 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1C[NH3+] ZINC000430546693 295028094 /nfs/dbraw/zinc/02/80/94/295028094.db2.gz JSMGMTBUUWRZCU-NSHDSACASA-N 1 0 308.338 0.965 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000274714601 295276254 /nfs/dbraw/zinc/27/62/54/295276254.db2.gz AEALGRJTNJJFAJ-VIFPVBQESA-N 1 0 323.305 0.166 20 5 DCBDRO CN1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000387858635 333181053 /nfs/dbraw/zinc/18/10/53/333181053.db2.gz GTWRYOIZPRXMKZ-GEXIGZQTSA-N 1 0 304.350 0.709 20 5 DCBDRO COc1cc(C(=O)N2CCN(C)C[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000388486677 333315350 /nfs/dbraw/zinc/31/53/50/333315350.db2.gz CLTJKCRTMADNGX-LLVKDONJSA-N 1 0 308.338 0.318 20 5 DCBDRO CC(C)(C)C[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393527875 337092789 /nfs/dbraw/zinc/09/27/89/337092789.db2.gz UUHUNBMHWLEWOJ-JQWIXIFHSA-N 1 0 300.359 0.539 20 5 DCBDRO C[C@H](O)CC(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393623915 337093360 /nfs/dbraw/zinc/09/33/60/337093360.db2.gz UNXYNLIKHNKZNE-CMPLNLGQSA-N 1 0 300.359 0.539 20 5 DCBDRO O=c1ccc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000583020097 337225604 /nfs/dbraw/zinc/22/56/04/337225604.db2.gz MYEZQAFBSBEMFM-GFCCVEGCSA-N 1 0 320.305 0.620 20 5 DCBDRO CC[NH+](CC)CCCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000131070089 520613979 /nfs/dbraw/zinc/61/39/79/520613979.db2.gz ADWGTWKFLZHSNN-UHFFFAOYSA-N 1 0 312.374 0.822 20 5 DCBDRO CNS(=O)(=O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000190314002 522206775 /nfs/dbraw/zinc/20/67/75/522206775.db2.gz FSADIZNRQNTJDW-UHFFFAOYSA-N 1 0 303.340 0.242 20 5 DCBDRO COc1cc(OCC(=O)N[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000124136034 522892500 /nfs/dbraw/zinc/89/25/00/522892500.db2.gz TXTJDYUZNMGDDX-JTQLQIEISA-N 1 0 309.322 0.850 20 5 DCBDRO C[N@H+](CCc1ccccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266401821 522965153 /nfs/dbraw/zinc/96/51/53/522965153.db2.gz FCTGKRJMXQPPEH-CQSZACIVSA-N 1 0 305.338 0.722 20 5 DCBDRO C[C@@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[NH2+]1 ZINC000188429292 524878605 /nfs/dbraw/zinc/87/86/05/524878605.db2.gz BZYMTNGXCKODBM-SNVBAGLBSA-N 1 0 316.321 0.609 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000125661116 525448455 /nfs/dbraw/zinc/44/84/55/525448455.db2.gz IDKGOVBWCRFFOK-UHFFFAOYSA-N 1 0 308.338 0.238 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261897691 526671860 /nfs/dbraw/zinc/67/18/60/526671860.db2.gz VWUZTKXNNOPTDL-TXEJJXNPSA-N 1 0 307.354 0.639 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736969242 598896256 /nfs/dbraw/zinc/89/62/56/598896256.db2.gz WABIJTYLFVWEMP-LBPRGKRZSA-N 1 0 307.314 0.551 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735986714 598500771 /nfs/dbraw/zinc/50/07/71/598500771.db2.gz PMIBXVYFHVRGGR-QMMMGPOBSA-N 1 0 306.330 0.922 20 5 DCBDRO C[NH+](C)[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736760621 598602138 /nfs/dbraw/zinc/60/21/38/598602138.db2.gz BFUGQYMQAMQDJZ-SNVBAGLBSA-N 1 0 303.326 0.915 20 5 DCBDRO O=C(NCC1C[NH2+]C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000261935568 658224891 /nfs/dbraw/zinc/22/48/91/658224891.db2.gz FDBSRVGENCVWHA-UHFFFAOYSA-N 1 0 302.294 0.125 20 5 DCBDRO Cc1nnsc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063705 658814716 /nfs/dbraw/zinc/81/47/16/658814716.db2.gz IGGDQUNOECXHQK-UTINFBMNSA-N 1 0 311.367 0.249 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000312412815 659289293 /nfs/dbraw/zinc/28/92/93/659289293.db2.gz RYUDXSFDXHDQNB-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO C[C@@H]1C[N@H+](CCCOC(=O)Cn2ccc([N+](=O)[O-])n2)CCO1 ZINC000893390170 659620680 /nfs/dbraw/zinc/62/06/80/659620680.db2.gz DKPKVNPXHZTAAR-LLVKDONJSA-N 1 0 312.326 0.445 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261634371 661337729 /nfs/dbraw/zinc/33/77/29/661337729.db2.gz HXXQQBOFYGKPQI-ZDUSSCGKSA-N 1 0 311.363 0.969 20 5 DCBDRO CN(CC[N@H+](C)CCO)c1ncnc2cccc([N+](=O)[O-])c21 ZINC000894591152 661985211 /nfs/dbraw/zinc/98/52/11/661985211.db2.gz QPODPUHJZBLMHF-UHFFFAOYSA-N 1 0 305.338 0.898 20 5 DCBDRO CN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC[N@H+](C)CC1 ZINC000897099388 662393962 /nfs/dbraw/zinc/39/39/62/662393962.db2.gz ZJLGSIJEXLCBCV-UHFFFAOYSA-N 1 0 311.361 1.000 20 5 DCBDRO O=C(NCC1=CC[N@H+](Cc2cccnc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000671444 665914127 /nfs/dbraw/zinc/91/41/27/665914127.db2.gz VAGHWCQLVGXVOR-HUUCEWRRSA-N 1 0 316.361 0.995 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@H]([NH+](C)C)C23CCC3)n1 ZINC000898834394 663109631 /nfs/dbraw/zinc/10/96/31/663109631.db2.gz IHOTZWGWVHURHI-QWRGUYRKSA-N 1 0 307.354 0.931 20 5 DCBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1C[N@H+](C)CCN1C ZINC000900808255 663282732 /nfs/dbraw/zinc/28/27/32/663282732.db2.gz WGVCZFCBAPMTFL-GXFFZTMASA-N 1 0 309.370 0.297 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000901235229 663332356 /nfs/dbraw/zinc/33/23/56/663332356.db2.gz SZXSUTZRZIPATO-UKRRQHHQSA-N 1 0 307.350 0.709 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CCC2(C1)OCCO2 ZINC000902804998 663434135 /nfs/dbraw/zinc/43/41/35/663434135.db2.gz YIXKMIWQICYKKK-UHFFFAOYSA-N 1 0 324.337 0.112 20 5 DCBDRO O=C(CN1CCC([NH2+]CC[N+](=O)[O-])CC1)Nc1ccccc1 ZINC000905030008 663527806 /nfs/dbraw/zinc/52/78/06/663527806.db2.gz FRDDRGVGWDBMOZ-UHFFFAOYSA-N 1 0 306.366 0.956 20 5 DCBDRO CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@H]1CC[NH2+]C1 ZINC000911788125 664109706 /nfs/dbraw/zinc/10/97/06/664109706.db2.gz OQGRLURKKKESEI-IINYFYTJSA-N 1 0 318.333 0.908 20 5 DCBDRO Cc1nc(CN2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC001002789214 666219642 /nfs/dbraw/zinc/21/96/42/666219642.db2.gz SJVBQKDBAPQREY-CHWSQXEVSA-N 1 0 308.338 0.729 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861540588 666940721 /nfs/dbraw/zinc/94/07/21/666940721.db2.gz WNNXBJPYCUGMTK-MRVPVSSYSA-N 1 0 310.310 0.348 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000868422572 667570945 /nfs/dbraw/zinc/57/09/45/667570945.db2.gz SVSIYQZOCWUVNA-WCQYABFASA-N 1 0 322.369 0.527 20 5 DCBDRO [NH3+]CCNS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000122466535 667635715 /nfs/dbraw/zinc/63/57/15/667635715.db2.gz FRVFEUHGVYSMOD-UHFFFAOYSA-N 1 0 324.156 0.594 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889779257 667996181 /nfs/dbraw/zinc/99/61/81/667996181.db2.gz DJCGPFMQECHKSA-OLZOCXBDSA-N 1 0 322.365 0.605 20 5 DCBDRO O=C1CC[C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000766273137 668530248 /nfs/dbraw/zinc/53/02/48/668530248.db2.gz VEIJEBPZFYEGEU-KBPBESRZSA-N 1 0 305.334 0.935 20 5 DCBDRO COc1ccc(NNC(=S)NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000767690093 668583601 /nfs/dbraw/zinc/58/36/01/668583601.db2.gz HHVLGMJZVRIGFF-UHFFFAOYSA-N 1 0 313.383 0.956 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)cc1 ZINC000929154664 668658823 /nfs/dbraw/zinc/65/88/23/668658823.db2.gz PNFZCLWOQGDDNS-OAHLLOKOSA-N 1 0 321.377 0.993 20 5 DCBDRO O=C(C[NH2+][C@H](CO)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000771800964 668751529 /nfs/dbraw/zinc/75/15/29/668751529.db2.gz HNMRHEOPCUOEOP-SNVBAGLBSA-N 1 0 323.305 0.623 20 5 DCBDRO Cn1cc([C@@H](CO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000778135751 668894613 /nfs/dbraw/zinc/89/46/13/668894613.db2.gz FALPUQHJRGQTEZ-ZIAGYGMSSA-N 1 0 306.322 0.685 20 5 DCBDRO CN1C(=O)[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]2C1=O ZINC000879531732 669055595 /nfs/dbraw/zinc/05/55/95/669055595.db2.gz JLJYQGVJATWRLD-BETUJISGSA-N 1 0 319.317 0.520 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782602323 669110310 /nfs/dbraw/zinc/11/03/10/669110310.db2.gz BTJGHDMGEJKCMN-YWPYICTPSA-N 1 0 308.334 0.649 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000880582132 669242588 /nfs/dbraw/zinc/24/25/88/669242588.db2.gz KPEGVGQGCPNWDJ-ZDUSSCGKSA-N 1 0 310.354 0.655 20 5 DCBDRO CC(C)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000786157935 669296607 /nfs/dbraw/zinc/29/66/07/669296607.db2.gz RSAFAAIWPOWLOF-ZDUSSCGKSA-N 1 0 312.370 0.947 20 5 DCBDRO O=[N+]([O-])c1ccc(F)cc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000881226295 669307415 /nfs/dbraw/zinc/30/74/15/669307415.db2.gz OKGCUGCEUQDGAT-UHFFFAOYSA-N 1 0 320.328 0.779 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@H]21 ZINC000881438908 669343320 /nfs/dbraw/zinc/34/33/20/669343320.db2.gz IYYKZIBZZYEBLC-BXKDBHETSA-N 1 0 306.322 0.862 20 5 DCBDRO CC1([NH+]2CCC2)CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000882501668 669536583 /nfs/dbraw/zinc/53/65/83/669536583.db2.gz BPHMYDPANKKTMC-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934400499 669600403 /nfs/dbraw/zinc/60/04/03/669600403.db2.gz PIPXQWNQNZJPML-CYBMUJFWSA-N 1 0 323.349 0.684 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000934394523 669600680 /nfs/dbraw/zinc/60/06/80/669600680.db2.gz HCDHCEMERSPTDB-ONGXEEELSA-N 1 0 307.354 0.841 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)n1 ZINC000812323701 670575021 /nfs/dbraw/zinc/57/50/21/670575021.db2.gz LQTZOBLUSKHDPF-WDEREUQCSA-N 1 0 307.354 0.835 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857764398 670945780 /nfs/dbraw/zinc/94/57/80/670945780.db2.gz QTHDCTAUORMYEU-URLYPYJESA-N 1 0 313.260 0.900 20 5 DCBDRO O=C(NCC1C[NH2+]C1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766023 670945900 /nfs/dbraw/zinc/94/59/00/670945900.db2.gz XECCESWGCPFQNZ-UHFFFAOYSA-N 1 0 301.249 0.902 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000818007769 670961978 /nfs/dbraw/zinc/96/19/78/670961978.db2.gz JLCZOGZJAMCDNL-NSHDSACASA-N 1 0 310.266 0.221 20 5 DCBDRO [NH3+]CCc1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000818536563 671029842 /nfs/dbraw/zinc/02/98/42/671029842.db2.gz YSXUPEFECGLGDH-UHFFFAOYSA-N 1 0 317.349 0.999 20 5 DCBDRO CC[N@H+](CCNS(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(C)C ZINC000859120863 671074723 /nfs/dbraw/zinc/07/47/23/671074723.db2.gz KRVRTEANOXIULY-UHFFFAOYSA-N 1 0 319.387 0.337 20 5 DCBDRO CN1CCN(C)[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819048740 671089655 /nfs/dbraw/zinc/08/96/55/671089655.db2.gz ASZYIANIKOJNMZ-GJZGRUSLSA-N 1 0 308.382 0.464 20 5 DCBDRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819057360 671089984 /nfs/dbraw/zinc/08/99/84/671089984.db2.gz VLXPWENFBJBGSM-FIKIJFGZSA-N 1 0 318.399 0.289 20 5 DCBDRO CN1C(=O)CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819384395 671115659 /nfs/dbraw/zinc/11/56/59/671115659.db2.gz YFSQVHWVTJQUMS-NWDGAFQWSA-N 1 0 307.306 0.365 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000823641702 671403511 /nfs/dbraw/zinc/40/35/11/671403511.db2.gz KUZSORHJCJHUAB-MNOVXSKESA-N 1 0 309.370 0.945 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994568 671415325 /nfs/dbraw/zinc/41/53/25/671415325.db2.gz VANBVKXXRUFDLL-LLVKDONJSA-N 1 0 322.369 0.544 20 5 DCBDRO Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)c(N)c([N+](=O)[O-])c1 ZINC000825188764 671452056 /nfs/dbraw/zinc/45/20/56/671452056.db2.gz OHSGMOBYUWHXFN-JTQLQIEISA-N 1 0 308.338 0.594 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825763667 671471546 /nfs/dbraw/zinc/47/15/46/671471546.db2.gz AQTZKBUKWCMVBM-GXTWGEPZSA-N 1 0 323.349 0.465 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000827330234 671523139 /nfs/dbraw/zinc/52/31/39/671523139.db2.gz KYPDUMKZRPHCJI-DGCLKSJQSA-N 1 0 307.354 0.734 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC1CC[NH2+]CC1 ZINC000832209160 671710853 /nfs/dbraw/zinc/71/08/53/671710853.db2.gz QVGSHXKPFJEZGH-UHFFFAOYSA-N 1 0 303.322 0.813 20 5 DCBDRO Cc1cc(C(=O)N2CCC(O)(C[NH3+])CC2)c(N)c([N+](=O)[O-])c1 ZINC000842512459 672016258 /nfs/dbraw/zinc/01/62/58/672016258.db2.gz NYPHJOZLENFEFU-UHFFFAOYSA-N 1 0 308.338 0.411 20 5 DCBDRO CCOC(=O)C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843078363 672059402 /nfs/dbraw/zinc/05/94/02/672059402.db2.gz YEDQGLOMCKQJKD-WCQYABFASA-N 1 0 312.322 0.532 20 5 DCBDRO O=C1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CCO ZINC000843105849 672062614 /nfs/dbraw/zinc/06/26/14/672062614.db2.gz XWEQCUAHUYKHNP-KGLIPLIRSA-N 1 0 323.349 0.201 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1 ZINC000843110683 672063038 /nfs/dbraw/zinc/06/30/38/672063038.db2.gz GOKIGRLHMKCPCG-GZBFAFLISA-N 1 0 310.350 0.863 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1 ZINC000843110684 672063239 /nfs/dbraw/zinc/06/32/39/672063239.db2.gz GOKIGRLHMKCPCG-KCQAQPDRSA-N 1 0 310.350 0.863 20 5 DCBDRO [NH3+]CCc1noc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1 ZINC000843130935 672065517 /nfs/dbraw/zinc/06/55/17/672065517.db2.gz KRYXZHOVKQABBF-UHFFFAOYSA-N 1 0 320.309 0.478 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1Cc1nc(C2CC[NH2+]CC2)no1 ZINC000843137677 672065669 /nfs/dbraw/zinc/06/56/69/672065669.db2.gz IJMOOXKSGUJUPU-UHFFFAOYSA-N 1 0 305.294 0.655 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCO1 ZINC000843357710 672087185 /nfs/dbraw/zinc/08/71/85/672087185.db2.gz VHIYKPHUSCRYOI-IINYFYTJSA-N 1 0 322.365 0.849 20 5 DCBDRO Nc1ccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cc1[N+](=O)[O-] ZINC000844907957 672209174 /nfs/dbraw/zinc/20/91/74/672209174.db2.gz XKFVZMQSZFOQLD-XPTSAGLGSA-N 1 0 317.305 0.714 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000106017707 672272064 /nfs/dbraw/zinc/27/20/64/672272064.db2.gz ACKRJGBDQMXNLT-JQWIXIFHSA-N 1 0 300.336 0.405 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc(C3CC3)no2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139812 693710343 /nfs/dbraw/zinc/71/03/43/693710343.db2.gz NJLMMMZBZSELFT-BGOOENEXSA-N 1 0 320.349 0.954 20 5 DCBDRO C[NH+](C)CC[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001303479995 1159154191 /nfs/dbraw/zinc/15/41/91/1159154191.db2.gz XEWVDXNXPBMTBY-LBPRGKRZSA-N 1 0 322.365 0.557 20 5 DCBDRO O=C(C1CC1)N(CCO)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001569921358 1161316848 /nfs/dbraw/zinc/31/68/48/1161316848.db2.gz GYWDIRVFPFPEFR-UHFFFAOYSA-N 1 0 313.379 0.977 20 5 DCBDRO C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001576023567 1164213623 /nfs/dbraw/zinc/21/36/23/1164213623.db2.gz QGVRGNZWDLQLAC-NWDGAFQWSA-N 1 0 322.365 0.986 20 5 DCBDRO C[C@H]([NH3+])C1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC001576102196 1164241236 /nfs/dbraw/zinc/24/12/36/1164241236.db2.gz CHJUDIXQGXIPRB-JTQLQIEISA-N 1 0 311.342 0.052 20 5 DCBDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001576608512 1164412277 /nfs/dbraw/zinc/41/22/77/1164412277.db2.gz SWSGOAPGOLFYDG-MWLCHTKSSA-N 1 0 307.306 0.734 20 5 DCBDRO CCN1C[C@@H](NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1=O ZINC001577759577 1164783853 /nfs/dbraw/zinc/78/38/53/1164783853.db2.gz HNNGBOWTVUOVAG-XHDPSFHLSA-N 1 0 320.349 0.506 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC2(C[NH2+]C2)C1 ZINC001578263346 1164964735 /nfs/dbraw/zinc/96/47/35/1164964735.db2.gz AJYLQASFXXBEPI-UHFFFAOYSA-N 1 0 311.363 0.751 20 5 DCBDRO CNC(=O)CCCN(C)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001578550231 1165056412 /nfs/dbraw/zinc/05/64/12/1165056412.db2.gz KTQNLCFVSQYRDL-HNNXBMFYSA-N 1 0 322.365 0.753 20 5 DCBDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001578638906 1165073759 /nfs/dbraw/zinc/07/37/59/1165073759.db2.gz XAEJFZIHFJBFOI-RISCZKNCSA-N 1 0 309.366 0.812 20 5 DCBDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001578641533 1165075127 /nfs/dbraw/zinc/07/51/27/1165075127.db2.gz UFZDKRWDMGWXTK-QMTHXVAHSA-N 1 0 323.349 0.401 20 5 DCBDRO C[NH2+]CCOCCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001578709578 1165089802 /nfs/dbraw/zinc/08/98/02/1165089802.db2.gz HAJLCAYXYJDJSG-UHFFFAOYSA-N 1 0 320.349 0.971 20 5 DCBDRO CNc1c(C(=O)NC[C@@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC001578754754 1165095815 /nfs/dbraw/zinc/09/58/15/1165095815.db2.gz ZABYACSJVAJTGH-JTQLQIEISA-N 1 0 308.338 0.745 20 5 DCBDRO NC(=O)c1ccnc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001580107178 1165506754 /nfs/dbraw/zinc/50/67/54/1165506754.db2.gz RHJKNFVLOFPMJX-QWRGUYRKSA-N 1 0 319.365 0.915 20 5 DCBDRO [NH3+]C[C@H]1C[C@H](NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC001580333214 1165574371 /nfs/dbraw/zinc/57/43/71/1165574371.db2.gz UCSWQSOWMYAWNL-GPCCPHFNSA-N 1 0 318.333 0.941 20 5 DCBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@@H]2C[NH2+]CC23CC3)cc1 ZINC001580874846 1165748409 /nfs/dbraw/zinc/74/84/09/1165748409.db2.gz LSEJUVUAUIPONA-GFCCVEGCSA-N 1 0 311.363 0.766 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591167955 1167121759 /nfs/dbraw/zinc/12/17/59/1167121759.db2.gz BZIDJTSRQBIXPI-UHFFFAOYSA-N 1 0 321.316 0.912 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591170366 1167125055 /nfs/dbraw/zinc/12/50/55/1167125055.db2.gz GOFUTHMHUXCVPK-UHFFFAOYSA-N 1 0 304.314 0.168 20 5 DCBDRO C[N@H+]1C[C@H]2CN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196368 1167146077 /nfs/dbraw/zinc/14/60/77/1167146077.db2.gz ODNNRBHBNZMXPP-AOOOYVTPSA-N 1 0 316.325 0.168 20 5 DCBDRO [NH3+]C1(CO)CCN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001592741180 1167625948 /nfs/dbraw/zinc/62/59/48/1167625948.db2.gz QQWNSKOFAQMSRU-UHFFFAOYSA-N 1 0 319.325 0.065 20 5 DCBDRO [NH3+]CC1CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001592744300 1167627855 /nfs/dbraw/zinc/62/78/55/1167627855.db2.gz HCORNWGFFFFTAM-UHFFFAOYSA-N 1 0 303.326 0.950 20 5 DCBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC[NH+]1CC=CC1 ZINC001593465382 1167854750 /nfs/dbraw/zinc/85/47/50/1167854750.db2.gz NLGIFKKSDZYUFJ-UHFFFAOYSA-N 1 0 302.298 0.454 20 5 DCBDRO CCO[C@@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C[NH+](C)C ZINC001595150871 1167969267 /nfs/dbraw/zinc/96/92/67/1167969267.db2.gz OEYZSPBHKXEMRS-ZDUSSCGKSA-N 1 0 311.338 0.997 20 5 DCBDRO CC1(C)C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001609146461 1170826436 /nfs/dbraw/zinc/82/64/36/1170826436.db2.gz ILRQYYBDCVXTRS-GFCCVEGCSA-N 1 0 318.337 0.978 20 5 DCBDRO Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609405145 1170967080 /nfs/dbraw/zinc/96/70/80/1170967080.db2.gz XJXXSNINWYYTKI-UWVGGRQHSA-N 1 0 315.337 0.739 20 5 DCBDRO CNC(=O)c1ccc(N2CC([NH2+][C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001612978961 1171365756 /nfs/dbraw/zinc/36/57/56/1171365756.db2.gz FVUUSIXVNDBWRO-LLVKDONJSA-N 1 0 320.349 0.522 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(C3(O)CCC3)CCC2)c1 ZINC001620571981 1171403562 /nfs/dbraw/zinc/40/35/62/1171403562.db2.gz MYCDDTUDZNACMQ-ZDUSSCGKSA-N 1 0 324.381 0.827 20 5 DCBDRO O=C1N[C@H](C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CO1 ZINC001620631917 1171406050 /nfs/dbraw/zinc/40/60/50/1171406050.db2.gz GIWZUXRFNUNOFR-NSHDSACASA-N 1 0 309.326 0.612 20 5 DCBDRO CCc1n[nH]c(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001641853166 1171930736 /nfs/dbraw/zinc/93/07/36/1171930736.db2.gz ZANRQADUQJSQMW-VIFPVBQESA-N 1 0 311.342 0.067 20 5 DCBDRO Cc1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001642136625 1171937394 /nfs/dbraw/zinc/93/73/94/1171937394.db2.gz CXKIOYMXRJKDJW-LBPRGKRZSA-N 1 0 307.354 0.852 20 5 DCBDRO COc1cc(C(=O)NCC[N@H+](C)CCO)c([N+](=O)[O-])cc1F ZINC001645402217 1172041124 /nfs/dbraw/zinc/04/11/24/1172041124.db2.gz AEBVWBUPSFHJLJ-UHFFFAOYSA-N 1 0 315.301 0.396 20 5 DCBDRO CON1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001646049628 1172232919 /nfs/dbraw/zinc/23/29/19/1172232919.db2.gz QIMCQXMEBOOARD-UHFFFAOYSA-N 1 0 310.354 0.714 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001646089732 1172247086 /nfs/dbraw/zinc/24/70/86/1172247086.db2.gz NYKOCSJBPWEFIC-NSHDSACASA-N 1 0 307.306 0.606 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001650895628 1173736177 /nfs/dbraw/zinc/73/61/77/1173736177.db2.gz FFRZUGPGEBIKRY-NSHDSACASA-N 1 0 322.369 0.071 20 5 DCBDRO COC(=O)c1cnc(N2CC([NH2+][C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001651457685 1173749020 /nfs/dbraw/zinc/74/90/20/1173749020.db2.gz QQIYVLVRUCDWQB-SNVBAGLBSA-N 1 0 322.321 0.344 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)nc1 ZINC001655953156 1173831365 /nfs/dbraw/zinc/83/13/65/1173831365.db2.gz OPYJXMUKWIFOFY-GXFFZTMASA-N 1 0 309.326 0.022 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CC(C(N)=O)=NO1 ZINC001656200402 1173851525 /nfs/dbraw/zinc/85/15/25/1173851525.db2.gz SKYWWLLKFPKVRN-SNVBAGLBSA-N 1 0 306.322 0.931 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)CCO ZINC001658081013 1173918580 /nfs/dbraw/zinc/91/85/80/1173918580.db2.gz OKVRNGLANHMXBJ-UHFFFAOYSA-N 1 0 312.326 0.649 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001658942435 1173927242 /nfs/dbraw/zinc/92/72/42/1173927242.db2.gz BXEUJRWIMYTRIR-SMDDNHRTSA-N 1 0 323.349 0.517 20 5 DCBDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001659076304 1173929755 /nfs/dbraw/zinc/92/97/55/1173929755.db2.gz FYMTXZNJVYWPKD-NSHDSACASA-N 1 0 306.322 0.262 20 5 DCBDRO CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001659074062 1173930333 /nfs/dbraw/zinc/93/03/33/1173930333.db2.gz ZXZMNYJYUVDVSR-QWHCGFSZSA-N 1 0 323.349 0.545 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccn(C)c1 ZINC001663882634 1174365870 /nfs/dbraw/zinc/36/58/70/1174365870.db2.gz ONIVIGDFPRTTNB-UHFFFAOYSA-N 1 0 320.353 0.529 20 5 DCBDRO CCN(CCNCc1ncnn1C(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699180868 1177917976 /nfs/dbraw/zinc/91/79/76/1177917976.db2.gz BESXVAWOCJQEAL-VXGBXAGGSA-N 1 0 324.385 0.462 20 5 DCBDRO Cn1ccc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)n1 ZINC001715094039 1181685686 /nfs/dbraw/zinc/68/56/86/1181685686.db2.gz CXIYRTRLLMMGAZ-CHWSQXEVSA-N 1 0 321.381 0.604 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1cnnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717452557 1182838184 /nfs/dbraw/zinc/83/81/84/1182838184.db2.gz IZYAXPWLVNSABW-VXGBXAGGSA-N 1 0 324.385 0.055 20 5 DCBDRO Cc1cccnc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001723019749 1184250112 /nfs/dbraw/zinc/25/01/12/1184250112.db2.gz GPOGVXJCUUPBRY-TZMCWYRMSA-N 1 0 306.366 0.993 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1ncn(C)n1 ZINC001731909430 1185565915 /nfs/dbraw/zinc/56/59/15/1185565915.db2.gz WSMMCSCMPPOGQP-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO Cc1cc(C)n(CC[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001754119145 1188748231 /nfs/dbraw/zinc/74/82/31/1188748231.db2.gz IANGKWBIWDOFEB-LSMGEYOZSA-N 1 0 321.381 0.427 20 5 DCBDRO CCc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754118541 1188748682 /nfs/dbraw/zinc/74/86/82/1188748682.db2.gz AJXACBOFJPGYPE-UTWMECEDSA-N 1 0 322.365 0.973 20 5 DCBDRO CN(CCC[NH2+]Cc1cc2n(n1)CCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754370522 1188834861 /nfs/dbraw/zinc/83/48/61/1188834861.db2.gz FIWQZZMPKVUPOI-ZIAGYGMSSA-N 1 0 321.381 0.433 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC001164671293 719378585 /nfs/dbraw/zinc/37/85/85/719378585.db2.gz VXOKXAYBLHTFGX-RKDXNWHRSA-N 1 0 313.745 0.866 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164667610 719399600 /nfs/dbraw/zinc/39/96/00/719399600.db2.gz OGQSEZOTLRCXEX-WDEREUQCSA-N 1 0 322.321 0.296 20 5 DCBDRO COCCOCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124908712 751741859 /nfs/dbraw/zinc/74/18/59/751741859.db2.gz QAWJUNVNEZVOQF-UHFFFAOYSA-N 1 0 311.338 0.464 20 5 DCBDRO C[NH+](C)CCC(=O)NC/C=C\CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107489368 752080888 /nfs/dbraw/zinc/08/08/88/752080888.db2.gz DBBABGLWEDZIFZ-ARJAWSKDSA-N 1 0 323.357 0.003 20 5 DCBDRO C[NH+](C)CCC(=O)NC/C=C/CNc1ncc([N+](=O)[O-])c(N)n1 ZINC001107489369 752081213 /nfs/dbraw/zinc/08/12/13/752081213.db2.gz DBBABGLWEDZIFZ-ONEGZZNKSA-N 1 0 323.357 0.003 20 5 DCBDRO Cn1ncc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1N ZINC001126086850 748213583 /nfs/dbraw/zinc/21/35/83/748213583.db2.gz QZKPYHJGZATNGE-UHFFFAOYSA-N 1 0 324.366 0.492 20 5 DCBDRO CCOC(=O)c1cnc(NC(=N)NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001167877629 748458254 /nfs/dbraw/zinc/45/82/54/748458254.db2.gz HQMMGGSVPAPMTL-UHFFFAOYSA-N 1 0 324.341 0.842 20 5 DCBDRO O=C(Cc1cncnc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126402899 748707190 /nfs/dbraw/zinc/70/71/90/748707190.db2.gz KMFLMYDVYCCTJK-UHFFFAOYSA-N 1 0 315.333 0.833 20 5 DCBDRO O=C(NCC[NH2+]CCc1c(F)cccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936666 750149895 /nfs/dbraw/zinc/14/98/95/750149895.db2.gz PVDUBVVQUBRMTB-ZWNOBZJWSA-N 1 0 313.304 0.878 20 5 DCBDRO Cn1nccc1C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001045436087 753194489 /nfs/dbraw/zinc/19/44/89/753194489.db2.gz GXZIVVAYMLKCPY-CHWSQXEVSA-N 1 0 321.381 0.556 20 5 DCBDRO C[NH+](C)CCCC(C)(C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001129078812 754511839 /nfs/dbraw/zinc/51/18/39/754511839.db2.gz IKNPJOVSTMHYEW-UHFFFAOYSA-N 1 0 324.381 0.993 20 5 DCBDRO Cn1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086083320 759693130 /nfs/dbraw/zinc/69/31/30/759693130.db2.gz VEBIXDKSJIWFGX-GWNIPJSYSA-N 1 0 307.354 0.070 20 5 DCBDRO Cc1nc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)o1 ZINC001086084361 759694223 /nfs/dbraw/zinc/69/42/23/759694223.db2.gz OECAQTUWWADZNB-GFQSEFKGSA-N 1 0 322.365 0.941 20 5 DCBDRO [NH3+][C@H]1CCc2nn(-c3ccc([N+](=O)[O-])c4c3CNC4=O)cc2C1 ZINC001168817981 760459315 /nfs/dbraw/zinc/45/93/15/760459315.db2.gz NXRUXRZEHQPUFI-VIFPVBQESA-N 1 0 313.317 0.840 20 5 DCBDRO CS(=O)(=O)N([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169009834 760544336 /nfs/dbraw/zinc/54/43/36/760544336.db2.gz YKQJXYRYFSBRTJ-JQWIXIFHSA-N 1 0 305.400 0.445 20 5 DCBDRO CC(=O)Nc1ccc(-n2nc(CC[NH3+])nc2C)cc1[N+](=O)[O-] ZINC001168990278 760547472 /nfs/dbraw/zinc/54/74/72/760547472.db2.gz VQDNJCXKQOTJJX-UHFFFAOYSA-N 1 0 304.310 0.944 20 5 DCBDRO CN(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056302 760565522 /nfs/dbraw/zinc/56/55/22/760565522.db2.gz RJUOVUGGKUIIHH-MJBXVCDLSA-N 1 0 312.414 0.574 20 5 DCBDRO CN(C)c1ccc(-n2cncc2C[C@@H]([NH3+])CO)c([N+](=O)[O-])c1 ZINC001169074763 760574982 /nfs/dbraw/zinc/57/49/82/760574982.db2.gz NEHPXDICLPSBCM-SNVBAGLBSA-N 1 0 305.338 0.709 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NCc1ncn2c1C[NH2+]CCC2 ZINC001169242432 760612661 /nfs/dbraw/zinc/61/26/61/760612661.db2.gz JYIIRDUCVBXMAF-UHFFFAOYSA-N 1 0 304.310 0.530 20 5 DCBDRO CN(CCNC(=O)C[NH+]1CCCC1)c1ncccc1[N+](=O)[O-] ZINC001100115316 763324881 /nfs/dbraw/zinc/32/48/81/763324881.db2.gz JUVPHWLMKSVQBK-UHFFFAOYSA-N 1 0 307.354 0.638 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001134143474 765382103 /nfs/dbraw/zinc/38/21/03/765382103.db2.gz AEFKBDHJGYZJTA-CYBMUJFWSA-N 1 0 320.349 0.535 20 5 DCBDRO O=[N+]([O-])c1c(Br)ccnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170780597 765739120 /nfs/dbraw/zinc/73/91/20/765739120.db2.gz HJXZBHCDOZLFDZ-XPUUQOCRSA-N 1 0 317.143 0.745 20 5 DCBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170788867 765782285 /nfs/dbraw/zinc/78/22/85/765782285.db2.gz KTGKOOVKGQKVOL-MWLCHTKSSA-N 1 0 309.322 0.682 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001116487215 765875446 /nfs/dbraw/zinc/87/54/46/765875446.db2.gz XMWLQSUMXAWFKX-QWRGUYRKSA-N 1 0 307.354 0.993 20 5 DCBDRO Nc1nccnc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125029262 768341504 /nfs/dbraw/zinc/34/15/04/768341504.db2.gz QTFZCYFLQJZKKY-UHFFFAOYSA-N 1 0 316.321 0.487 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136761605 766502655 /nfs/dbraw/zinc/50/26/55/766502655.db2.gz RDOONXLZTVKSRU-LLVKDONJSA-N 1 0 307.354 0.153 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC001136817158 766546590 /nfs/dbraw/zinc/54/65/90/766546590.db2.gz GNCINMUQSMUYER-UHFFFAOYSA-N 1 0 314.430 0.918 20 5 DCBDRO C[C@H]([NH3+])CONC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001122102196 767715375 /nfs/dbraw/zinc/71/53/75/767715375.db2.gz VQJZSCVOKZYDJV-VIFPVBQESA-N 1 0 310.310 0.110 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001122324630 767770427 /nfs/dbraw/zinc/77/04/27/767770427.db2.gz QRQBHRXXNOFVNL-AWEZNQCLSA-N 1 0 307.354 0.926 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001122417812 767798705 /nfs/dbraw/zinc/79/87/05/767798705.db2.gz JMVFSOOTACTDGA-GFCCVEGCSA-N 1 0 322.365 0.844 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001149751163 768845110 /nfs/dbraw/zinc/84/51/10/768845110.db2.gz KVXLHGSXKZSLMX-UHFFFAOYSA-N 1 0 323.353 0.101 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(CO)CO)c1F ZINC001173175379 769555632 /nfs/dbraw/zinc/55/56/32/769555632.db2.gz BJELURFSGRXRKP-MRVPVSSYSA-N 1 0 302.302 0.616 20 5 DCBDRO COC(=O)C(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001234442848 769656392 /nfs/dbraw/zinc/65/63/92/769656392.db2.gz WKUDCWAAUSPAMZ-GFCCVEGCSA-N 1 0 324.353 0.405 20 5 DCBDRO Cc1oncc1CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001154884839 770326171 /nfs/dbraw/zinc/32/61/71/770326171.db2.gz XVSRHVVONKIACX-UHFFFAOYSA-N 1 0 319.325 0.703 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc([N+](=O)[O-])c(C)n1 ZINC001155083080 770391616 /nfs/dbraw/zinc/39/16/16/770391616.db2.gz AVBOZPJGXKFRBT-UHFFFAOYSA-N 1 0 306.282 0.514 20 5 DCBDRO COc1cnc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)c([N+](=O)[O-])c1 ZINC001155372696 770479549 /nfs/dbraw/zinc/47/95/49/770479549.db2.gz IZCHHRVRAPWGCW-LBPRGKRZSA-N 1 0 321.381 0.858 20 5 DCBDRO COc1nc(NCc2nnc3n2CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155425448 770498693 /nfs/dbraw/zinc/49/86/93/770498693.db2.gz YDBLOGLRXVGMRE-UHFFFAOYSA-N 1 0 320.313 0.090 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncnc3cc([N+](=O)[O-])ccc32)N1 ZINC001155571191 770548658 /nfs/dbraw/zinc/54/86/58/770548658.db2.gz RMODOORSCXITML-SMDDNHRTSA-N 1 0 314.305 0.528 20 5 DCBDRO CSc1nc(Cl)nc(N(CC[NH3+])CCO)c1[N+](=O)[O-] ZINC001155952239 770672487 /nfs/dbraw/zinc/67/24/87/770672487.db2.gz CMZVQLWMKDFRBK-UHFFFAOYSA-N 1 0 307.763 0.518 20 5 DCBDRO COc1cc2ncnc(-n3nnc(CC[NH3+])n3)c2cc1[N+](=O)[O-] ZINC001156985174 770991200 /nfs/dbraw/zinc/99/12/00/770991200.db2.gz UJGBPRRJYXYOLH-UHFFFAOYSA-N 1 0 316.281 0.024 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001181441981 771291847 /nfs/dbraw/zinc/29/18/47/771291847.db2.gz JFIAISCYVYOJRX-INTQDDNPSA-N 1 0 306.322 0.765 20 5 DCBDRO COc1nc(N2C[C@H]3CCC[N@H+](C)[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001157266826 771571077 /nfs/dbraw/zinc/57/10/77/771571077.db2.gz XUWFHFKABGSUJS-NXEZZACHSA-N 1 0 323.353 0.932 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@](F)(C[NH3+])C2)n1 ZINC001157816662 771676461 /nfs/dbraw/zinc/67/64/61/771676461.db2.gz LEURUDFUOAKNHV-GFCCVEGCSA-N 1 0 312.305 0.529 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001158634156 771796916 /nfs/dbraw/zinc/79/69/16/771796916.db2.gz DCQHWAKDMAZNMN-IINYFYTJSA-N 1 0 321.337 0.303 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001159755554 771953585 /nfs/dbraw/zinc/95/35/85/771953585.db2.gz SGAYOKJRPZILML-NXEZZACHSA-N 1 0 310.310 0.100 20 5 DCBDRO Nc1nc(NC[C@H]2CC[N@@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC001187715708 772214536 /nfs/dbraw/zinc/21/45/36/772214536.db2.gz BLXIHWXAXZQCHT-SNVBAGLBSA-N 1 0 308.342 0.632 20 5 DCBDRO COc1nc(C)nc(N[C@@H](C)CN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001162090823 772324342 /nfs/dbraw/zinc/32/43/42/772324342.db2.gz XIHJSIWULCPWJO-VIFPVBQESA-N 1 0 310.358 0.407 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1nc(OC)ccc1[N+](=O)[O-] ZINC001162531187 772386376 /nfs/dbraw/zinc/38/63/76/772386376.db2.gz SKXAQPBEQWNOLO-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc([N+](=O)[O-])cnc1OC ZINC001162538113 772388573 /nfs/dbraw/zinc/38/85/73/772388573.db2.gz ZIWAYXCUZUHHSY-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(NCc2nnc3n2CCC[NH2+]C3)n1 ZINC001163017757 772444626 /nfs/dbraw/zinc/44/46/26/772444626.db2.gz UUFSQDJTKHAMLV-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO COc1ccc([N+](=O)[O-])nc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017861 772444698 /nfs/dbraw/zinc/44/46/98/772444698.db2.gz ZZAZHJGBSMFCHL-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163064311 772452007 /nfs/dbraw/zinc/45/20/07/772452007.db2.gz AMIQJIXTCVBQOZ-JTQLQIEISA-N 1 0 314.729 0.672 20 5 DCBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163147218 772471737 /nfs/dbraw/zinc/47/17/37/772471737.db2.gz JMRKBTDBXJRVSP-FBIMIBRVSA-N 1 0 304.306 0.237 20 5 DCBDRO Cn1cc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc([N+](=O)[O-])c1=O ZINC001163172484 772476579 /nfs/dbraw/zinc/47/65/79/772476579.db2.gz SOYVGPBXEFBFKX-XWIASGKRSA-N 1 0 308.338 0.330 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001163203292 772481262 /nfs/dbraw/zinc/48/12/62/772481262.db2.gz GYUUCCHIJQETFJ-QMTHXVAHSA-N 1 0 307.306 0.924 20 5 DCBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163248301 772490627 /nfs/dbraw/zinc/49/06/27/772490627.db2.gz GOUFLBDHNFBFBF-OCCSQVGLSA-N 1 0 306.322 0.984 20 5 DCBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163248298 772490758 /nfs/dbraw/zinc/49/07/58/772490758.db2.gz GOUFLBDHNFBFBF-GXTWGEPZSA-N 1 0 306.322 0.984 20 5 DCBDRO COc1cc([N+](=O)[O-])c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1F ZINC001163253526 772492929 /nfs/dbraw/zinc/49/29/29/772492929.db2.gz ZYMUFCAZKOEOOX-YPMHNXCESA-N 1 0 310.285 0.733 20 5 DCBDRO COc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc([N+](=O)[O-])c1C ZINC001163254935 772494213 /nfs/dbraw/zinc/49/42/13/772494213.db2.gz VQFYEYILWRXAOI-GXTWGEPZSA-N 1 0 306.322 0.902 20 5 DCBDRO [NH3+]CCN(CCO)c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001163830286 772579104 /nfs/dbraw/zinc/57/91/04/772579104.db2.gz WYFBUXVNJPWJQG-UHFFFAOYSA-N 1 0 311.729 0.949 20 5 DCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC[C@@H]1O ZINC001164226981 772628231 /nfs/dbraw/zinc/62/82/31/772628231.db2.gz FGDFYFDFIIRNNQ-SKDRFNHKSA-N 1 0 307.354 0.669 20 5 DCBDRO CC(C)OCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494396 772668033 /nfs/dbraw/zinc/66/80/33/772668033.db2.gz IHOFYDLCEXQINX-CHWSQXEVSA-N 1 0 313.398 0.953 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC([N@H+](C)[C@@H]3CCOC3)C2)n1 ZINC001165205317 772704591 /nfs/dbraw/zinc/70/45/91/772704591.db2.gz IEBJLHIVMVIHEL-SNVBAGLBSA-N 1 0 323.353 0.611 20 5 DCBDRO COc1nc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)ncc1[N+](=O)[O-] ZINC001165427674 772735570 /nfs/dbraw/zinc/73/55/70/772735570.db2.gz QZECAIXALABFNT-BDAKNGLRSA-N 1 0 311.317 0.907 20 5 DCBDRO COc1ncnc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165430329 772736041 /nfs/dbraw/zinc/73/60/41/772736041.db2.gz MSKUKHCRQGXBCM-IUCAKERBSA-N 1 0 311.317 0.907 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001165440258 772737777 /nfs/dbraw/zinc/73/77/77/772737777.db2.gz YQCCWOLEFLYUSH-GFCCVEGCSA-N 1 0 317.305 0.489 20 5 DCBDRO COC(=O)CC1([NH2+]Cc2cn(C)nc2[N+](=O)[O-])CCOCC1 ZINC001191910164 772836425 /nfs/dbraw/zinc/83/64/25/772836425.db2.gz LNXLMMTZLJLPEH-UHFFFAOYSA-N 1 0 312.326 0.530 20 5 DCBDRO CN(C)/C=C/c1cc(N2CCO[C@@H](C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001166939404 772884991 /nfs/dbraw/zinc/88/49/91/772884991.db2.gz AJMXZFGFVZTOGF-PCAWENJQSA-N 1 0 307.354 0.686 20 5 DCBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])c3nccn3c2)CC[NH2+]CC1 ZINC001166954082 772888805 /nfs/dbraw/zinc/88/88/05/772888805.db2.gz AVQYMUJXDIRSGW-UHFFFAOYSA-N 1 0 319.321 0.950 20 5 DCBDRO Cc1c(C)c(N(C2C[NH2+]C2)S(C)(=O)=O)ncc1[N+](=O)[O-] ZINC001166968819 772892864 /nfs/dbraw/zinc/89/28/64/772892864.db2.gz MHUPXTIEHVPSJS-UHFFFAOYSA-N 1 0 300.340 0.344 20 5 DCBDRO CS(=O)(=O)N(c1nccc2cc([N+](=O)[O-])ccc21)C1C[NH2+]C1 ZINC001166971559 772894194 /nfs/dbraw/zinc/89/41/94/772894194.db2.gz GBMXMAQCRFFWHY-UHFFFAOYSA-N 1 0 322.346 0.881 20 5 DCBDRO CS(=O)(=O)N(c1nccc2ccc([N+](=O)[O-])cc21)C1C[NH2+]C1 ZINC001166970902 772894372 /nfs/dbraw/zinc/89/43/72/772894372.db2.gz YZUHOWVSYSUNTE-UHFFFAOYSA-N 1 0 322.346 0.881 20 5 DCBDRO COC[C@](C)(CO)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001196868740 773661553 /nfs/dbraw/zinc/66/15/53/773661553.db2.gz CAAOEFDEYIJHGR-AWEZNQCLSA-N 1 0 311.338 0.829 20 5 DCBDRO CN(CCn1cnnc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001197459590 773754913 /nfs/dbraw/zinc/75/49/13/773754913.db2.gz QVIJNCNVTUAJPW-UHFFFAOYSA-N 1 0 304.310 0.417 20 5 DCBDRO CC[N@H+](C)[C@@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC001214102681 773926077 /nfs/dbraw/zinc/92/60/77/773926077.db2.gz FEDBDORYMSSEHD-SNVBAGLBSA-N 1 0 314.367 0.705 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H](N)CC[NH3+] ZINC001218858037 774316809 /nfs/dbraw/zinc/31/68/09/774316809.db2.gz USEIJFWNFURDGF-VIFPVBQESA-N 1 0 310.361 0.980 20 5 DCBDRO CC[C@H](NCc1cn(CC(N)=O)nn1)c1cccc([N+](=O)[O-])c1 ZINC001201777442 774555926 /nfs/dbraw/zinc/55/59/26/774555926.db2.gz HEUIYEDUSKDNCZ-ZDUSSCGKSA-N 1 0 318.337 0.913 20 5 DCBDRO NC(=O)CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001226699089 775864699 /nfs/dbraw/zinc/86/46/99/775864699.db2.gz LCIPPZXYRGQYAO-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cnc(C(F)(F)F)nc1 ZINC001227959193 776028724 /nfs/dbraw/zinc/02/87/24/776028724.db2.gz DRBGKWIYVDQAPV-MRVPVSSYSA-N 1 0 308.280 0.858 20 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/nfs/dbraw/zinc/53/19/51/942531951.db2.gz YNMTYJSKTNPLPQ-UHFFFAOYSA-N 1 0 301.310 0.782 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC001462331306 1013061782 /nfs/dbraw/zinc/06/17/82/1013061782.db2.gz IWHCYOHSMLXAFZ-NSHDSACASA-N 1 0 311.729 0.990 20 5 DCBDRO COc1ccc(C[C@@H](C)N2C[C@@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582354 945436819 /nfs/dbraw/zinc/43/68/19/945436819.db2.gz XALICRNAWAAAKH-IFUGULHKSA-N 1 0 309.366 0.786 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001319591276 945626621 /nfs/dbraw/zinc/62/66/21/945626621.db2.gz GDGPBCXROMBNKY-NWDGAFQWSA-N 1 0 320.349 0.500 20 5 DCBDRO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC001320010167 945717918 /nfs/dbraw/zinc/71/79/18/945717918.db2.gz MYFSZNVMJQEEIK-LBPRGKRZSA-N 1 0 320.349 0.309 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@H](O)[C@H](CO)C3)CC2)cc1 ZINC001254474449 946397454 /nfs/dbraw/zinc/39/74/54/946397454.db2.gz QPZIBAGPRPONEB-LRDDRELGSA-N 1 0 321.377 0.849 20 5 DCBDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576764 946410304 /nfs/dbraw/zinc/41/03/04/946410304.db2.gz YWZQXPYFBXFICS-LBPRGKRZSA-N 1 0 313.379 0.543 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585997 946412239 /nfs/dbraw/zinc/41/22/39/946412239.db2.gz ZDEHPIZGBCFMSY-TZMCWYRMSA-N 1 0 307.350 0.932 20 5 DCBDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC001322712788 946778524 /nfs/dbraw/zinc/77/85/24/946778524.db2.gz JITRDCQLYSKOSY-RYUDHWBXSA-N 1 0 309.322 0.688 20 5 DCBDRO C[C@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001324267982 947371693 /nfs/dbraw/zinc/37/16/93/947371693.db2.gz SZCMZCRRZJWRHB-NWDGAFQWSA-N 1 0 322.365 0.698 20 5 DCBDRO Nc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC001324466960 947433243 /nfs/dbraw/zinc/43/32/43/947433243.db2.gz KMKTVRJKXMIWKR-LBPRGKRZSA-N 1 0 322.365 0.754 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)c1 ZINC001325862102 947956973 /nfs/dbraw/zinc/95/69/73/947956973.db2.gz HMXQPBDQRLQYDA-MFKMUULPSA-N 1 0 314.363 0.653 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001326788006 948278664 /nfs/dbraw/zinc/27/86/64/948278664.db2.gz RFTVVCNSBGRAMA-UHFFFAOYSA-N 1 0 304.350 0.667 20 5 DCBDRO O=C(CN(Cc1ccccc1[N+](=O)[O-])C1CC1)N1CC[NH2+]CC1 ZINC001328490969 948922024 /nfs/dbraw/zinc/92/20/24/948922024.db2.gz AHJAHDGGSSIAIT-UHFFFAOYSA-N 1 0 318.377 0.991 20 5 DCBDRO C[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001328734244 949059676 /nfs/dbraw/zinc/05/96/76/949059676.db2.gz YDBHIZALLRELDZ-JTQLQIEISA-N 1 0 320.349 0.640 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001329520447 949661008 /nfs/dbraw/zinc/66/10/08/949661008.db2.gz IHBOWARDKJGWCB-PHIMTYICSA-N 1 0 306.322 0.109 20 5 DCBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001265845969 950028447 /nfs/dbraw/zinc/02/84/47/950028447.db2.gz VXRKKYGRLSJPTP-HUUCEWRRSA-N 1 0 321.377 0.782 20 5 DCBDRO CN1CC[NH+](CC2CN(C(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC001330422884 950379507 /nfs/dbraw/zinc/37/95/07/950379507.db2.gz GLEHHOUDYHQMCU-UHFFFAOYSA-N 1 0 324.406 0.976 20 5 DCBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001576214233 950658553 /nfs/dbraw/zinc/65/85/53/950658553.db2.gz NOWQFGSMGQEUNL-RNCFNFMXSA-N 1 0 318.337 0.978 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)[C@@H]1CCC[NH2+]C1)C2 ZINC001332816112 951807677 /nfs/dbraw/zinc/80/76/77/951807677.db2.gz PPPVMHJDHSQCHZ-CYBMUJFWSA-N 1 0 311.363 0.992 20 5 DCBDRO CN1CCN(C)[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC001333350642 952016214 /nfs/dbraw/zinc/01/62/14/952016214.db2.gz CVZSSFFZOYAMIE-WXRRBKDZSA-N 1 0 308.386 0.330 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001334932945 952415678 /nfs/dbraw/zinc/41/56/78/952415678.db2.gz FFJJJXHYGTVECR-UHFFFAOYSA-N 1 0 307.354 0.005 20 5 DCBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)O ZINC001335880435 952613642 /nfs/dbraw/zinc/61/36/42/952613642.db2.gz BJAPFXDMGSOCNK-NEPJUHHUSA-N 1 0 300.359 0.537 20 5 DCBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@H](O)Cn2cccn2)cc1 ZINC001336724814 952757899 /nfs/dbraw/zinc/75/78/99/952757899.db2.gz XEZGEZYGVRMYDE-AWEZNQCLSA-N 1 0 305.338 0.854 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC001336943393 952788429 /nfs/dbraw/zinc/78/84/29/952788429.db2.gz SJOJDLIORVESOI-LLVKDONJSA-N 1 0 320.349 0.970 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)c1[N+](=O)[O-] ZINC001345138844 953599366 /nfs/dbraw/zinc/59/93/66/953599366.db2.gz IXMPSFPVBBCWSN-CQSZACIVSA-N 1 0 307.354 0.995 20 5 DCBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C2CCC2)CC1 ZINC001345646024 953695838 /nfs/dbraw/zinc/69/58/38/953695838.db2.gz JDTHUPRGSCYDQP-UHFFFAOYSA-N 1 0 324.385 0.376 20 5 DCBDRO C[C@]1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC[NH2+]C1 ZINC001349418541 954744884 /nfs/dbraw/zinc/74/48/84/954744884.db2.gz TVRKUQQCJGQVCN-AWEZNQCLSA-N 1 0 308.338 0.262 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001304524627 960089514 /nfs/dbraw/zinc/08/95/14/960089514.db2.gz KBWKFZZZAUIOAR-ZDUSSCGKSA-N 1 0 321.381 0.948 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001468291224 1016239647 /nfs/dbraw/zinc/23/96/47/1016239647.db2.gz GYOSMDTZCDSCJT-GFCCVEGCSA-N 1 0 322.365 0.754 20 5 DCBDRO CC1(C)C[C@@H](O)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001473476857 1016936438 /nfs/dbraw/zinc/93/64/38/1016936438.db2.gz QIMDVQHNMWTGOR-QWHCGFSZSA-N 1 0 312.370 0.635 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001456754489 1011438791 /nfs/dbraw/zinc/43/87/91/1011438791.db2.gz DKNPSCOAIFKGQU-SNVBAGLBSA-N 1 0 305.338 0.644 20 5 DCBDRO C[C@@H]1[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001458613480 1012229935 /nfs/dbraw/zinc/22/99/35/1012229935.db2.gz CGWWTDWWMJCOGS-BDAKNGLRSA-N 1 0 314.367 0.747 20 5 DCBDRO C[C@@H]1[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001458613487 1012230249 /nfs/dbraw/zinc/23/02/49/1012230249.db2.gz CGWWTDWWMJCOGS-RKDXNWHRSA-N 1 0 314.367 0.747 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)n1 ZINC001558043601 1012316236 /nfs/dbraw/zinc/31/62/36/1012316236.db2.gz OYQXIPMAXRXDFO-CQSZACIVSA-N 1 0 308.338 0.437 20 5 DCBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC001559265401 1012415308 /nfs/dbraw/zinc/41/53/08/1012415308.db2.gz OGMRMZQVIWIYRH-SECBINFHSA-N 1 0 314.367 0.748 20 5 DCBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@@H]1C ZINC001519565659 1017217691 /nfs/dbraw/zinc/21/76/91/1017217691.db2.gz CPBZKIRPKWLXES-NWDGAFQWSA-N 1 0 310.402 0.943 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn[nH]n1 ZINC001493612323 1019565665 /nfs/dbraw/zinc/56/56/65/1019565665.db2.gz BENMUSBCKYZDFV-UHFFFAOYSA-N 1 0 304.310 0.575 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000332603795 235181423 /nfs/dbraw/zinc/18/14/23/235181423.db2.gz ADJOOTAMMRJHRH-VIFPVBQESA-N 1 0 317.371 0.136 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188659560 200282813 /nfs/dbraw/zinc/28/28/13/200282813.db2.gz KSRYCSBFQRATEI-UHFFFAOYSA-N 1 0 301.306 0.711 20 5 DCBDRO CN(CCC[NH+](C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000154605100 291214560 /nfs/dbraw/zinc/21/45/60/291214560.db2.gz HBOSOGYYGXXYGQ-UHFFFAOYSA-N 1 0 322.365 0.735 20 5 DCBDRO CC[N@H+](C)C[C@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000310325618 291252051 /nfs/dbraw/zinc/25/20/51/291252051.db2.gz AKNRWUOREXBQQT-ZETCQYMHSA-N 1 0 307.148 0.866 20 5 DCBDRO C[C@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]C1 ZINC000320433894 291257149 /nfs/dbraw/zinc/25/71/49/291257149.db2.gz AAPDTYVYHRQVGM-HNNXBMFYSA-N 1 0 319.365 0.638 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2ccncn2)c1 ZINC000566119138 291271870 /nfs/dbraw/zinc/27/18/70/291271870.db2.gz RNHVPLVFNQFASV-ZDUSSCGKSA-N 1 0 304.306 0.914 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000566455312 291303259 /nfs/dbraw/zinc/30/32/59/291303259.db2.gz MFKAXGYRXXAIRF-CQSZACIVSA-N 1 0 308.338 0.120 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490237 291307617 /nfs/dbraw/zinc/30/76/17/291307617.db2.gz FHHMTUQITGGQHX-SVDKCWMDSA-N 1 0 316.361 0.852 20 5 DCBDRO CCOc1cccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000566490492 291307750 /nfs/dbraw/zinc/30/77/50/291307750.db2.gz KBMXDAYOIUOPJX-GHMZBOCLSA-N 1 0 320.349 0.742 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000566619663 291315227 /nfs/dbraw/zinc/31/52/27/291315227.db2.gz VZBMIRBICSRGTD-AOOOYVTPSA-N 1 0 319.317 0.657 20 5 DCBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423545516 240203980 /nfs/dbraw/zinc/20/39/80/240203980.db2.gz CVAVFMSNKYTIHP-SECBINFHSA-N 1 0 307.306 0.721 20 5 DCBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1cc([N+](=O)[O-])n[nH]1 ZINC000423661280 240234104 /nfs/dbraw/zinc/23/41/04/240234104.db2.gz DDKTWEMKUGVQIO-LBPRGKRZSA-N 1 0 301.306 0.935 20 5 DCBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000567161024 291340216 /nfs/dbraw/zinc/34/02/16/291340216.db2.gz JAWRNEVOOVQIQW-HOSYDEDBSA-N 1 0 312.326 0.084 20 5 DCBDRO O=C1N=NCN1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000567402623 291353317 /nfs/dbraw/zinc/35/33/17/291353317.db2.gz YZQIQAGVKRSXRR-UHFFFAOYSA-N 1 0 307.314 0.426 20 5 DCBDRO NC(=O)c1ccnc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000567531012 291360424 /nfs/dbraw/zinc/36/04/24/291360424.db2.gz XQKPBJKVCDJLSM-SECBINFHSA-N 1 0 305.338 0.985 20 5 DCBDRO Cn1cc(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000567682238 291369016 /nfs/dbraw/zinc/36/90/16/291369016.db2.gz KLXRECGZOLETRK-ZDUSSCGKSA-N 1 0 308.342 0.108 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cn[nH]c1 ZINC000567693511 291370851 /nfs/dbraw/zinc/37/08/51/291370851.db2.gz VOJBTCAZBWCBOG-GFCCVEGCSA-N 1 0 306.322 0.890 20 5 DCBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000273058484 283999922 /nfs/dbraw/zinc/99/99/22/283999922.db2.gz SHTXOAVMUNDALV-VIFPVBQESA-N 1 0 307.306 0.705 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275042654 212090054 /nfs/dbraw/zinc/09/00/54/212090054.db2.gz VSLPPLKRKJVNGF-UHFFFAOYSA-N 1 0 312.326 0.346 20 5 DCBDRO [NH3+]C[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000569604386 291487248 /nfs/dbraw/zinc/48/72/48/291487248.db2.gz RORVCNAVPQVGRN-VIFPVBQESA-N 1 0 300.340 0.349 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274969033 212049933 /nfs/dbraw/zinc/04/99/33/212049933.db2.gz NCVPEQSOVDHVQY-UHFFFAOYSA-N 1 0 324.337 0.536 20 5 DCBDRO CNC(=O)c1ccc(NC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264790733 204158567 /nfs/dbraw/zinc/15/85/67/204158567.db2.gz SIXHHJVAWMFXJM-GFCCVEGCSA-N 1 0 321.381 0.612 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000573564110 291640824 /nfs/dbraw/zinc/64/08/24/291640824.db2.gz ORPFMXKYGDFEGQ-UHFFFAOYSA-N 1 0 321.330 0.712 20 5 DCBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1NCC[NH+]1CCCC1 ZINC000272946496 210331587 /nfs/dbraw/zinc/33/15/87/210331587.db2.gz WRROONUXQVFOLX-UHFFFAOYSA-N 1 0 314.367 0.750 20 5 DCBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185076 254020914 /nfs/dbraw/zinc/02/09/14/254020914.db2.gz NSULXDRDCMOBFD-SDDRHHMPSA-N 1 0 322.369 0.375 20 5 DCBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000351535699 254344060 /nfs/dbraw/zinc/34/40/60/254344060.db2.gz FTXFMWSYPGFYTI-NSHDSACASA-N 1 0 306.322 0.079 20 5 DCBDRO Cc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000351533338 254344181 /nfs/dbraw/zinc/34/41/81/254344181.db2.gz IGHHJPQUSSSUQV-NSHDSACASA-N 1 0 306.322 0.710 20 5 DCBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000351543025 254345518 /nfs/dbraw/zinc/34/55/18/254345518.db2.gz RQGQFWSYZCKNQM-LBPRGKRZSA-N 1 0 306.322 0.079 20 5 DCBDRO CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1 ZINC000294694484 224172723 /nfs/dbraw/zinc/17/27/23/224172723.db2.gz AIQOPGAQBQLVMH-UHFFFAOYSA-N 1 0 320.349 0.663 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000272975462 130078979 /nfs/dbraw/zinc/07/89/79/130078979.db2.gz CWLAKHOBUYLCSP-KBPBESRZSA-N 1 0 324.312 0.615 20 5 DCBDRO C[C@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283842692 131027818 /nfs/dbraw/zinc/02/78/18/131027818.db2.gz AXZUAIKWRPQEGQ-VIFPVBQESA-N 1 0 316.383 0.767 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284186728 131058129 /nfs/dbraw/zinc/05/81/29/131058129.db2.gz YRRQQRGHAZDKAY-UHFFFAOYSA-N 1 0 314.317 0.624 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285655471 131190744 /nfs/dbraw/zinc/19/07/44/131190744.db2.gz GFKGCGYFGXJKLS-RYUDHWBXSA-N 1 0 323.353 0.031 20 5 DCBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000036265576 395722983 /nfs/dbraw/zinc/72/29/83/395722983.db2.gz KMWKQNYIGFKTHV-WCQYABFASA-N 1 0 311.363 0.718 20 5 DCBDRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050241904 395838177 /nfs/dbraw/zinc/83/81/77/395838177.db2.gz UDVDJCKPYXILQC-ZETCQYMHSA-N 1 0 305.743 0.970 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272503925 395895700 /nfs/dbraw/zinc/89/57/00/395895700.db2.gz OBISSYSFQSMJDC-NEPJUHHUSA-N 1 0 307.354 0.652 20 5 DCBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000274540954 395957172 /nfs/dbraw/zinc/95/71/72/395957172.db2.gz DXTZBEYXJITJBL-UHFFFAOYSA-N 1 0 308.338 0.309 20 5 DCBDRO CC[NH+]1CCC(CNC(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000065893514 395998035 /nfs/dbraw/zinc/99/80/35/395998035.db2.gz GZUJSTCJHCLUOO-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO CC(C)C[NH+]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000067293534 396023980 /nfs/dbraw/zinc/02/39/80/396023980.db2.gz CYDQLRLWQRUUQY-UHFFFAOYSA-N 1 0 309.370 0.982 20 5 DCBDRO COCC[NH2+]CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000152478672 396010700 /nfs/dbraw/zinc/01/07/00/396010700.db2.gz GDVBKPNUYFBEJU-UHFFFAOYSA-N 1 0 310.354 0.749 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCO1 ZINC000163149563 396085939 /nfs/dbraw/zinc/08/59/39/396085939.db2.gz QFZWAQDJDDVMLJ-RDDDGLTNSA-N 1 0 312.301 0.504 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278083364 396105111 /nfs/dbraw/zinc/10/51/11/396105111.db2.gz HMTUGVOFYDUNCQ-KWQFWETISA-N 1 0 306.322 0.908 20 5 DCBDRO COC(=O)c1cc(NC(=O)C[C@H]2COCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000262284784 396118120 /nfs/dbraw/zinc/11/81/20/396118120.db2.gz XRSOSKVUFJTJPQ-NSHDSACASA-N 1 0 323.305 0.698 20 5 DCBDRO CCc1n[nH]c(C(=O)NCCN2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000278424651 396124094 /nfs/dbraw/zinc/12/40/94/396124094.db2.gz CEGJBDNEAXMMFO-UHFFFAOYSA-N 1 0 324.385 0.248 20 5 DCBDRO O=C(CC[N@@H+]1C[C@@H](O)[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278963616 396143128 /nfs/dbraw/zinc/14/31/28/396143128.db2.gz ZTKLCQSRLHFYPX-TXEJJXNPSA-N 1 0 313.285 0.100 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261924457 396080499 /nfs/dbraw/zinc/08/04/99/396080499.db2.gz SATNOBWNXRIPGH-AWEZNQCLSA-N 1 0 318.377 0.643 20 5 DCBDRO COc1ccc(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000261968846 396085063 /nfs/dbraw/zinc/08/50/63/396085063.db2.gz YQOZWHJXJLNBCP-ZDUSSCGKSA-N 1 0 324.337 0.641 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000075684543 396185314 /nfs/dbraw/zinc/18/53/14/396185314.db2.gz LSYPDWQZSSNVKJ-UKRRQHHQSA-N 1 0 323.397 0.712 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000076177564 396197374 /nfs/dbraw/zinc/19/73/74/396197374.db2.gz CJTPMVLUFQJYCG-CYBMUJFWSA-N 1 0 310.354 0.655 20 5 DCBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178523676 396198574 /nfs/dbraw/zinc/19/85/74/396198574.db2.gz UQDSPPHFWITJOM-DGCLKSJQSA-N 1 0 307.354 0.734 20 5 DCBDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000280722216 396216864 /nfs/dbraw/zinc/21/68/64/396216864.db2.gz KGLDDILZWOUJKL-AWEZNQCLSA-N 1 0 306.322 0.391 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000179186967 396224327 /nfs/dbraw/zinc/22/43/27/396224327.db2.gz AGQHQPGIXCYTBX-VHSXEESVSA-N 1 0 308.338 0.519 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283706750 396343848 /nfs/dbraw/zinc/34/38/48/396343848.db2.gz YXILHODXCMAXOV-UHFFFAOYSA-N 1 0 324.356 0.940 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047697 396382947 /nfs/dbraw/zinc/38/29/47/396382947.db2.gz PFOBWPLDRNJFGF-ZWNOBZJWSA-N 1 0 322.369 0.573 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000269068678 396383655 /nfs/dbraw/zinc/38/36/55/396383655.db2.gz YFMSUKLPXZNBIG-OLZOCXBDSA-N 1 0 322.369 0.717 20 5 DCBDRO CCn1cnc2c(c1=O)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000286337267 396389356 /nfs/dbraw/zinc/38/93/56/396389356.db2.gz XHLHUFLFWCIOIH-UHFFFAOYSA-N 1 0 318.337 0.426 20 5 DCBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000290678066 396469569 /nfs/dbraw/zinc/46/95/69/396469569.db2.gz TUYMMXJWTQSEIM-GFCCVEGCSA-N 1 0 324.381 0.993 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000580710310 396494544 /nfs/dbraw/zinc/49/45/44/396494544.db2.gz ZGIQMTHERPTVTH-XJFOESAGSA-N 1 0 310.354 0.699 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[C@@H](C)[NH+](C)C)c([N+](=O)[O-])n1 ZINC000594821195 396522151 /nfs/dbraw/zinc/52/21/51/396522151.db2.gz KPJZTPMVYYIFOL-SECBINFHSA-N 1 0 319.387 0.430 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000595054182 396546343 /nfs/dbraw/zinc/54/63/43/396546343.db2.gz ZAPNEDXMHDJMQH-JQWIXIFHSA-N 1 0 321.337 0.907 20 5 DCBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000595104046 396548861 /nfs/dbraw/zinc/54/88/61/396548861.db2.gz DAISHZKFPBOACT-UWVGGRQHSA-N 1 0 314.367 0.656 20 5 DCBDRO C[C@@H](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000595127144 396553865 /nfs/dbraw/zinc/55/38/65/396553865.db2.gz ZZTPTMNGZNXBLU-JTQLQIEISA-N 1 0 308.338 0.990 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000595282518 396579279 /nfs/dbraw/zinc/57/92/79/396579279.db2.gz PXRNNTWXQVUSNX-SECBINFHSA-N 1 0 308.338 0.244 20 5 DCBDRO CCc1cnc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000581998363 396599372 /nfs/dbraw/zinc/59/93/72/396599372.db2.gz GVWQSHXDBFSAHG-SNVBAGLBSA-N 1 0 311.367 0.961 20 5 DCBDRO CC[NH2+]CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000582002035 396600076 /nfs/dbraw/zinc/60/00/76/396600076.db2.gz AMMYUDUZKIHMCD-UHFFFAOYSA-N 1 0 318.337 0.905 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC(O)(C3CC3)C2)c1 ZINC000373753784 396611649 /nfs/dbraw/zinc/61/16/49/396611649.db2.gz LQTWGYLEABIONG-CYBMUJFWSA-N 1 0 308.334 0.791 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3nn(C)cc3[N+](=O)[O-])[C@H]2C1 ZINC000293794167 396633032 /nfs/dbraw/zinc/63/30/32/396633032.db2.gz CUUQIDIIYQMHDR-CMPLNLGQSA-N 1 0 323.353 0.264 20 5 DCBDRO CC(C)OC(=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562985137 396690031 /nfs/dbraw/zinc/69/00/31/396690031.db2.gz IYEZSCKFKBNQNF-NSHDSACASA-N 1 0 300.315 0.084 20 5 DCBDRO NC(=O)CC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000563008300 396693346 /nfs/dbraw/zinc/69/33/46/396693346.db2.gz URUFIYCPZLJLLX-LBPRGKRZSA-N 1 0 323.349 0.580 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000595991357 396704524 /nfs/dbraw/zinc/70/45/24/396704524.db2.gz HIYZUCCAUYZYNN-MEBBXXQBSA-N 1 0 320.349 0.581 20 5 DCBDRO C[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000304285237 396728630 /nfs/dbraw/zinc/72/86/30/396728630.db2.gz FNLYYKBKRCXULF-UMNHJUIQSA-N 1 0 300.384 0.978 20 5 DCBDRO NC(=O)c1cc(NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596088155 396716019 /nfs/dbraw/zinc/71/60/19/396716019.db2.gz YUSUZNRSDFJFOS-UHFFFAOYSA-N 1 0 322.365 0.952 20 5 DCBDRO Cc1ccc(C(=O)N(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000315859601 396790973 /nfs/dbraw/zinc/79/09/73/396790973.db2.gz AKZWEXMPBLROLH-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO O=C([C@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315687331 396791318 /nfs/dbraw/zinc/79/13/18/396791318.db2.gz BLSLQNQRIWJEAK-GFCCVEGCSA-N 1 0 305.338 0.390 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563438382 396736654 /nfs/dbraw/zinc/73/66/54/396736654.db2.gz CZXPKKSARFZORE-OLZOCXBDSA-N 1 0 320.349 0.347 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000610756224 396760116 /nfs/dbraw/zinc/76/01/16/396760116.db2.gz CQZYWBGZKMRVMH-OLZOCXBDSA-N 1 0 306.322 0.213 20 5 DCBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000590360131 396762114 /nfs/dbraw/zinc/76/21/14/396762114.db2.gz ZEMSOIYBMSOTOS-JTQLQIEISA-N 1 0 324.337 0.272 20 5 DCBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@H](CO)C[NH+]1CCCC1 ZINC000590371724 396763792 /nfs/dbraw/zinc/76/37/92/396763792.db2.gz DMXLZIQEZVXCAQ-LBPRGKRZSA-N 1 0 323.349 0.547 20 5 DCBDRO C[C@@H](CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[NH+](C)C ZINC000596430209 396773325 /nfs/dbraw/zinc/77/33/25/396773325.db2.gz KCNQNCBFJOWTEO-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO COc1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000610999291 396801849 /nfs/dbraw/zinc/80/18/49/396801849.db2.gz ZELCWSROIWVWJK-CYBMUJFWSA-N 1 0 321.337 0.688 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000319095183 396809449 /nfs/dbraw/zinc/80/94/49/396809449.db2.gz DCLOAJHPYQYBNO-UHFFFAOYSA-N 1 0 306.366 0.501 20 5 DCBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752095 396996995 /nfs/dbraw/zinc/99/69/95/396996995.db2.gz USGQYHGDXWPRFM-DDTOSNHZSA-N 1 0 309.370 0.225 20 5 DCBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000591749126 396997332 /nfs/dbraw/zinc/99/73/32/396997332.db2.gz FFGHWQPVYWFFBQ-SMDDNHRTSA-N 1 0 305.338 0.941 20 5 DCBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[N@@H+]2CC[C@H]1C2 ZINC000597708543 397071005 /nfs/dbraw/zinc/07/10/05/397071005.db2.gz ANABTNZWEGEGDL-JTQLQIEISA-N 1 0 319.317 0.896 20 5 DCBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000377511363 397090918 /nfs/dbraw/zinc/09/09/18/397090918.db2.gz JJPSFTVWJGZJMU-GXSJLCMTSA-N 1 0 322.321 0.288 20 5 DCBDRO C[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000592370574 397162572 /nfs/dbraw/zinc/16/25/72/397162572.db2.gz SJFKSHDNUMPBMN-VHSXEESVSA-N 1 0 314.367 0.738 20 5 DCBDRO CCC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592384706 397164997 /nfs/dbraw/zinc/16/49/97/397164997.db2.gz SRAVQGHMKKWQGA-UHFFFAOYSA-N 1 0 317.367 0.881 20 5 DCBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592180093 397114696 /nfs/dbraw/zinc/11/46/96/397114696.db2.gz HXQITKTYUBAJHY-AWEZNQCLSA-N 1 0 322.296 0.908 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592474887 397185093 /nfs/dbraw/zinc/18/50/93/397185093.db2.gz JLTKYXFXBIHALP-FZMZJTMJSA-N 1 0 322.365 0.890 20 5 DCBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475104 397185910 /nfs/dbraw/zinc/18/59/10/397185910.db2.gz NXHRWVDKQPELNG-WDMOLILDSA-N 1 0 322.365 0.970 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000592477041 397187422 /nfs/dbraw/zinc/18/74/22/397187422.db2.gz NMXADXQLUWVIIF-BXUZGUMPSA-N 1 0 322.365 0.606 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592549892 397208834 /nfs/dbraw/zinc/20/88/34/397208834.db2.gz PNACQNRIVSSCFP-ZDUSSCGKSA-N 1 0 321.333 0.880 20 5 DCBDRO CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000598341883 397215693 /nfs/dbraw/zinc/21/56/93/397215693.db2.gz HTEPLILGQRJHQT-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO CC1(C)CC[C@@H](CO)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648069 397267672 /nfs/dbraw/zinc/26/76/72/397267672.db2.gz NQBBXNVEEQOEHK-AAEUAGOBSA-N 1 0 312.370 0.635 20 5 DCBDRO [NH3+][C@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598664883 397271125 /nfs/dbraw/zinc/27/11/25/397271125.db2.gz JSIZDPIALCQVQS-GFCCVEGCSA-N 1 0 321.337 0.570 20 5 DCBDRO C[C@H](CCC[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666351 397271573 /nfs/dbraw/zinc/27/15/73/397271573.db2.gz XVRIOAWGVWQNQV-SNVBAGLBSA-N 1 0 323.353 0.960 20 5 DCBDRO O=[N+]([O-])c1ncn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000601958573 397273809 /nfs/dbraw/zinc/27/38/09/397273809.db2.gz NOMVLXRFLOBKQU-AWEZNQCLSA-N 1 0 303.322 0.823 20 5 DCBDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000386776054 397289724 /nfs/dbraw/zinc/28/97/24/397289724.db2.gz IOBMLXVZIRBNJM-CYBMUJFWSA-N 1 0 306.322 0.951 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577713171 397353141 /nfs/dbraw/zinc/35/31/41/397353141.db2.gz LCCZNUJLDXLRSD-LBPRGKRZSA-N 1 0 320.349 0.651 20 5 DCBDRO Cc1cc(OCC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000577744181 397356937 /nfs/dbraw/zinc/35/69/37/397356937.db2.gz GKSPRBWTKLGBGX-KBPBESRZSA-N 1 0 323.349 0.415 20 5 DCBDRO COc1cc(C[NH2+]CCN2CC[C@H](O)C2)c([N+](=O)[O-])cc1O ZINC000599019567 397324668 /nfs/dbraw/zinc/32/46/68/397324668.db2.gz RSISBQMBKGWUOB-NSHDSACASA-N 1 0 311.338 0.465 20 5 DCBDRO NC(=O)c1ccnc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000578585426 397455731 /nfs/dbraw/zinc/45/57/31/397455731.db2.gz FKDRMHAHYFITOG-JTQLQIEISA-N 1 0 305.338 0.763 20 5 DCBDRO COc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000578787550 397486956 /nfs/dbraw/zinc/48/69/56/397486956.db2.gz SCGFXEQGWBPVOI-RYUDHWBXSA-N 1 0 320.349 0.347 20 5 DCBDRO Cc1c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000579006564 397514932 /nfs/dbraw/zinc/51/49/32/397514932.db2.gz ONWCCJFJMCWEBC-CMPLNLGQSA-N 1 0 318.333 0.287 20 5 DCBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602904101 397519152 /nfs/dbraw/zinc/51/91/52/397519152.db2.gz ISVICUMOEUFGIF-CQSZACIVSA-N 1 0 322.365 0.532 20 5 DCBDRO C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000599909753 397538517 /nfs/dbraw/zinc/53/85/17/397538517.db2.gz ZEJOVLRYBMJOOX-JQWIXIFHSA-N 1 0 308.338 0.943 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1COCC[NH2+]1 ZINC000599907076 397538584 /nfs/dbraw/zinc/53/85/84/397538584.db2.gz KLEZKOCFJOFAKE-LBPRGKRZSA-N 1 0 308.338 0.425 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1COCC[NH2+]1 ZINC000599919766 397541055 /nfs/dbraw/zinc/54/10/55/397541055.db2.gz QESBCIXKAHZICR-GFCCVEGCSA-N 1 0 308.338 0.425 20 5 DCBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CC[NH+](C)CC1 ZINC000608891366 397758660 /nfs/dbraw/zinc/75/86/60/397758660.db2.gz RLUBQHLMPQKKNE-NSHDSACASA-N 1 0 309.370 0.299 20 5 DCBDRO C[N@@H+]1CC[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609201972 397763684 /nfs/dbraw/zinc/76/36/84/397763684.db2.gz GODNXDOLEMOJHT-LBPRGKRZSA-N 1 0 319.365 0.590 20 5 DCBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000609571767 397782666 /nfs/dbraw/zinc/78/26/66/397782666.db2.gz IQRVHORJQOTJMU-NSHDSACASA-N 1 0 321.381 0.821 20 5 DCBDRO CN(c1c([N+](=O)[O-])ncn1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609620242 397786204 /nfs/dbraw/zinc/78/62/04/397786204.db2.gz MSEBOYVHILKDRL-CYBMUJFWSA-N 1 0 322.413 0.933 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609674471 397789793 /nfs/dbraw/zinc/78/97/93/397789793.db2.gz GWIQFENCJBFMOW-GFCCVEGCSA-N 1 0 308.386 0.545 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000065866828 158034283 /nfs/dbraw/zinc/03/42/83/158034283.db2.gz RNTGYQQUXAALND-UHFFFAOYSA-N 1 0 313.358 0.184 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000070447478 158048234 /nfs/dbraw/zinc/04/82/34/158048234.db2.gz RSUAZCOBQMNGTJ-JTQLQIEISA-N 1 0 317.367 0.865 20 5 DCBDRO O=C(NCCc1cn2c(n1)CCCC2)c1[nH]ncc1[N+](=O)[O-] ZINC000135039041 158332711 /nfs/dbraw/zinc/33/27/11/158332711.db2.gz FTLHLLVOTASQJC-UHFFFAOYSA-N 1 0 304.310 0.823 20 5 DCBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000165539516 158365075 /nfs/dbraw/zinc/36/50/75/158365075.db2.gz YMCOPAOYZQJVQZ-HNNXBMFYSA-N 1 0 322.340 0.945 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171452489 158383606 /nfs/dbraw/zinc/38/36/06/158383606.db2.gz HTPJAJUEHJEIKG-GFCCVEGCSA-N 1 0 307.354 0.878 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000316982161 159003733 /nfs/dbraw/zinc/00/37/33/159003733.db2.gz DCBZOQVEZFNNTD-VHRBIJSZSA-N 1 0 305.334 0.896 20 5 DCBDRO Nc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806255 159011945 /nfs/dbraw/zinc/01/19/45/159011945.db2.gz YHWIKHHBYHWKDM-QWRGUYRKSA-N 1 0 320.349 0.770 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432861 159208489 /nfs/dbraw/zinc/20/84/89/159208489.db2.gz DBAJHMTZHUZJLP-TZMCWYRMSA-N 1 0 311.386 0.568 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000362888529 159273028 /nfs/dbraw/zinc/27/30/28/159273028.db2.gz JVCOKFANGXNWEL-OCCSQVGLSA-N 1 0 320.353 0.686 20 5 DCBDRO NC(=O)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987631 159368824 /nfs/dbraw/zinc/36/88/24/159368824.db2.gz GLOTVNBQOJOCRQ-NEPJUHHUSA-N 1 0 323.349 0.532 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000376111522 159839642 /nfs/dbraw/zinc/83/96/42/159839642.db2.gz GGRWVRAPEHGDLD-GWCFXTLKSA-N 1 0 311.363 0.967 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000133104440 287008607 /nfs/dbraw/zinc/00/86/07/287008607.db2.gz ALOYYFDUDAJXNE-SECBINFHSA-N 1 0 314.367 0.301 20 5 DCBDRO CC[N@@H+]1CCC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151655930 287035080 /nfs/dbraw/zinc/03/50/80/287035080.db2.gz CSRGCLYZLAMIJS-GFCCVEGCSA-N 1 0 324.385 0.822 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000247223851 287092111 /nfs/dbraw/zinc/09/21/11/287092111.db2.gz CXUSNFZFFMWROX-RISCZKNCSA-N 1 0 310.354 0.653 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CCC1 ZINC000342588654 415216416 /nfs/dbraw/zinc/21/64/16/415216416.db2.gz NATSCOBMFWBXMS-SNVBAGLBSA-N 1 0 320.349 0.711 20 5 DCBDRO COC(=O)c1cc(C(=O)NCC2([NH3+])CCC2)cc([N+](=O)[O-])c1 ZINC000342655340 415243723 /nfs/dbraw/zinc/24/37/23/415243723.db2.gz KHMNFIUMSXFSJS-UHFFFAOYSA-N 1 0 307.306 0.993 20 5 DCBDRO C[C@@]1(CCCO)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352884921 415358491 /nfs/dbraw/zinc/35/84/91/415358491.db2.gz BQRXUOPYJPBAMQ-KGLIPLIRSA-N 1 0 312.370 0.779 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H](C[NH3+])CC(C)C)c([N+](=O)[O-])n1 ZINC000353213062 415477087 /nfs/dbraw/zinc/47/70/87/415477087.db2.gz BODQKZSLNAHTPZ-SECBINFHSA-N 1 0 319.387 0.463 20 5 DCBDRO NC(=O)CC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090525194 415532288 /nfs/dbraw/zinc/53/22/88/415532288.db2.gz DQBZSCIHHYDLIP-LBPRGKRZSA-N 1 0 322.365 0.734 20 5 DCBDRO Nc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000289959316 415741286 /nfs/dbraw/zinc/74/12/86/415741286.db2.gz WXOLOCTYLHIDOJ-IUCAKERBSA-N 1 0 308.313 0.998 20 5 DCBDRO C[C@H]1[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000343887362 415766567 /nfs/dbraw/zinc/76/65/67/415766567.db2.gz FVXGUAQFSAFGEW-CMPLNLGQSA-N 1 0 310.358 0.573 20 5 DCBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151729783 415965455 /nfs/dbraw/zinc/96/54/55/415965455.db2.gz JCOVGFUONUGTEK-NEPJUHHUSA-N 1 0 324.385 0.963 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000298308590 416001710 /nfs/dbraw/zinc/00/17/10/416001710.db2.gz CWWIZMUGGDWWTH-UHFFFAOYSA-N 1 0 322.365 0.337 20 5 DCBDRO Cc1ccc(C[NH2+]CCNS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000298198701 415996078 /nfs/dbraw/zinc/99/60/78/415996078.db2.gz XTBHRHMTWGSDCO-UHFFFAOYSA-N 1 0 316.383 0.389 20 5 DCBDRO CC(C)[NH+]1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000132804631 415935945 /nfs/dbraw/zinc/93/59/45/415935945.db2.gz WCVUXHJABHVSIM-UHFFFAOYSA-N 1 0 324.385 0.963 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000357031496 416023927 /nfs/dbraw/zinc/02/39/27/416023927.db2.gz CNBFUVRFKFQUGS-NSHDSACASA-N 1 0 307.354 0.886 20 5 DCBDRO C[C@H](CCN1CCOCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357912011 416152148 /nfs/dbraw/zinc/15/21/48/416152148.db2.gz NYGXUNJKOYIYGI-SNVBAGLBSA-N 1 0 311.342 0.169 20 5 DCBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH3+])C1 ZINC000358129024 416197935 /nfs/dbraw/zinc/19/79/35/416197935.db2.gz UIJOBBFAEHJHQU-GHMZBOCLSA-N 1 0 308.338 0.581 20 5 DCBDRO C[C@@H]1C[N@H+](C)CCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662388 416225048 /nfs/dbraw/zinc/22/50/48/416225048.db2.gz DHJVDCBGBWIHCE-TZMCWYRMSA-N 1 0 309.366 0.970 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000178485504 416164205 /nfs/dbraw/zinc/16/42/05/416164205.db2.gz XJIJZWWGKQIEDF-ZDUSSCGKSA-N 1 0 309.370 0.445 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192490528 416307117 /nfs/dbraw/zinc/30/71/17/416307117.db2.gz JQAMEDAPDPRKAX-TXEJJXNPSA-N 1 0 307.354 0.510 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000264130922 416339007 /nfs/dbraw/zinc/33/90/07/416339007.db2.gz DZISOZAWJRYSAP-UHFFFAOYSA-N 1 0 313.358 0.287 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415472728 416344919 /nfs/dbraw/zinc/34/49/19/416344919.db2.gz YPSZTLBOALWTDT-JTQLQIEISA-N 1 0 310.285 0.622 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415507235 416345780 /nfs/dbraw/zinc/34/57/80/416345780.db2.gz SSBIASRPSTZYBB-LLVKDONJSA-N 1 0 323.353 0.629 20 5 DCBDRO COc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000360576946 416397553 /nfs/dbraw/zinc/39/75/53/416397553.db2.gz VFSPHYKCWMIEFL-UHFFFAOYSA-N 1 0 324.337 0.610 20 5 DCBDRO Cn1ccnc1[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068893 416535656 /nfs/dbraw/zinc/53/56/56/416535656.db2.gz PZSHCYJOAORYQQ-AAEUAGOBSA-N 1 0 320.353 0.375 20 5 DCBDRO CC1(C)COCCN1CCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594273983 416557815 /nfs/dbraw/zinc/55/78/15/416557815.db2.gz UEDIBXUYNCYFSP-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000594236374 416558676 /nfs/dbraw/zinc/55/86/76/416558676.db2.gz NDMKCWYKDNORAR-GHMZBOCLSA-N 1 0 319.365 1.388 20 5 DCBDRO O=c1c2c(ncn1Cc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000584051232 416494415 /nfs/dbraw/zinc/49/44/15/416494415.db2.gz NXYHUURNBKJMDE-UHFFFAOYSA-N 1 0 300.318 0.888 20 5 DCBDRO C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C[NH3+] ZINC000424020592 416606035 /nfs/dbraw/zinc/60/60/35/416606035.db2.gz SRODKONOZISQEB-WDEREUQCSA-N 1 0 308.338 0.200 20 5 DCBDRO Nc1nccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000548055821 416685089 /nfs/dbraw/zinc/68/50/89/416685089.db2.gz WDHWDWCXHCASIL-UHFFFAOYSA-N 1 0 305.338 0.929 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425057540 416680778 /nfs/dbraw/zinc/68/07/78/416680778.db2.gz MOFVEQZONZCUTP-WDEREUQCSA-N 1 0 307.354 0.803 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000440840262 416651149 /nfs/dbraw/zinc/65/11/49/416651149.db2.gz DXUYNPZQQUVXFV-ZETCQYMHSA-N 1 0 321.330 0.616 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000610484830 416657308 /nfs/dbraw/zinc/65/73/08/416657308.db2.gz IDABLKOFNSMTMX-ZDUSSCGKSA-N 1 0 309.370 0.588 20 5 DCBDRO COCC[N@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000518563092 416865546 /nfs/dbraw/zinc/86/55/46/416865546.db2.gz UZRFBNBQVUZPAG-GFCCVEGCSA-N 1 0 314.338 0.405 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NCCC[NH2+]Cc1cccnc1 ZINC000428142668 416878146 /nfs/dbraw/zinc/87/81/46/416878146.db2.gz SEVLRZULOLSZFO-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000518020858 416838053 /nfs/dbraw/zinc/83/80/53/416838053.db2.gz SOHUCNDPRLWCPR-UHFFFAOYSA-N 1 0 310.358 0.567 20 5 DCBDRO CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000519538265 416910312 /nfs/dbraw/zinc/91/03/12/416910312.db2.gz IUNOYLOEIXRUES-LBPRGKRZSA-N 1 0 321.381 0.498 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565548301 416991138 /nfs/dbraw/zinc/99/11/38/416991138.db2.gz GOECLQQRMGLDNW-GXSJLCMTSA-N 1 0 322.296 0.118 20 5 DCBDRO Cc1ccc(NCCCNC(=O)COC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000429993664 417011901 /nfs/dbraw/zinc/01/19/01/417011901.db2.gz UGFNYYCAOKSHPK-UHFFFAOYSA-N 1 0 322.365 0.810 20 5 DCBDRO Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000449597634 417155737 /nfs/dbraw/zinc/15/57/37/417155737.db2.gz ZMFNWPOZWVXHOE-RKDXNWHRSA-N 1 0 318.337 0.949 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000568902238 417193141 /nfs/dbraw/zinc/19/31/41/417193141.db2.gz ZSDAAKROGVQBPI-WCQYABFASA-N 1 0 308.313 0.478 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000568981383 417199527 /nfs/dbraw/zinc/19/95/27/417199527.db2.gz RSOBCJJQEXRFET-DGCLKSJQSA-N 1 0 310.354 0.796 20 5 DCBDRO CCOc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000449695852 417165848 /nfs/dbraw/zinc/16/58/48/417165848.db2.gz JCXJMIUZODCJED-GFCCVEGCSA-N 1 0 322.365 0.627 20 5 DCBDRO [NH3+]CCn1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC000570987213 417413299 /nfs/dbraw/zinc/41/32/99/417413299.db2.gz YYPPXYREWOVEAG-UHFFFAOYSA-N 1 0 302.294 0.348 20 5 DCBDRO COc1ccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571028474 417414980 /nfs/dbraw/zinc/41/49/80/417414980.db2.gz VAAGBNQZKADJPO-LLVKDONJSA-N 1 0 323.353 0.710 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000570663714 417378397 /nfs/dbraw/zinc/37/83/97/417378397.db2.gz SIMDXVQCSQVVDL-NSHDSACASA-N 1 0 323.353 0.710 20 5 DCBDRO C[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+](C2CC2)C1 ZINC000452171011 417456821 /nfs/dbraw/zinc/45/68/21/417456821.db2.gz NMYMIOYCKYRCDX-LLVKDONJSA-N 1 0 307.354 0.734 20 5 DCBDRO CN(C)C(=O)O[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000296618097 226053391 /nfs/dbraw/zinc/05/33/91/226053391.db2.gz GYVYHCNAUBHTIC-LBPRGKRZSA-N 1 0 324.337 0.529 20 5 DCBDRO CC1(C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCO[C@H]21 ZINC000451480634 287465559 /nfs/dbraw/zinc/46/55/59/287465559.db2.gz QTNDKWJYIURSQZ-IGQOVBAYSA-N 1 0 324.381 0.945 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000237062866 261157921 /nfs/dbraw/zinc/15/79/21/261157921.db2.gz SCNRSGDPWBHNNH-SECBINFHSA-N 1 0 317.367 0.737 20 5 DCBDRO C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000355743022 261361805 /nfs/dbraw/zinc/36/18/05/261361805.db2.gz NLFRAJVZYWDSPJ-LLVKDONJSA-N 1 0 322.365 0.639 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCO1 ZINC000417757224 262260450 /nfs/dbraw/zinc/26/04/50/262260450.db2.gz AXGLQWCEUSNGSG-GFCCVEGCSA-N 1 0 308.338 0.425 20 5 DCBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417904720 262264561 /nfs/dbraw/zinc/26/45/61/262264561.db2.gz AIIZIPKRQCQKQI-GFCCVEGCSA-N 1 0 324.385 0.869 20 5 DCBDRO C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000417913099 262265009 /nfs/dbraw/zinc/26/50/09/262265009.db2.gz PLAJKEOCBAYYEU-QWRGUYRKSA-N 1 0 310.358 0.560 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417929395 262265407 /nfs/dbraw/zinc/26/54/07/262265407.db2.gz AHCIWCIUTBLHRW-AWEZNQCLSA-N 1 0 321.381 0.340 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417940105 262266100 /nfs/dbraw/zinc/26/61/00/262266100.db2.gz LHYMWGMPFLVCLX-BETUJISGSA-N 1 0 304.350 0.998 20 5 DCBDRO Cc1c(CNC(=O)NC[C@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000418079558 262269161 /nfs/dbraw/zinc/26/91/61/262269161.db2.gz LAHOLYUOQAVWDJ-CYBMUJFWSA-N 1 0 321.381 0.606 20 5 DCBDRO C[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000418231402 262272740 /nfs/dbraw/zinc/27/27/40/262272740.db2.gz LJDJTQQQGHIFEH-LBPRGKRZSA-N 1 0 321.381 0.860 20 5 DCBDRO C[NH2+][C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420400193 262373207 /nfs/dbraw/zinc/37/32/07/262373207.db2.gz DEPLZZKHICHZCZ-LBPRGKRZSA-N 1 0 313.379 0.761 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC000420406466 262373771 /nfs/dbraw/zinc/37/37/71/262373771.db2.gz RKGRQTQRJHMXDO-UHFFFAOYSA-N 1 0 313.379 0.809 20 5 DCBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc([N+](=O)[O-])c1C ZINC000423668648 262453274 /nfs/dbraw/zinc/45/32/74/262453274.db2.gz KNRQGWSOJWFXLW-ZYHUDNBSSA-N 1 0 309.322 0.222 20 5 DCBDRO CCc1nn(C)c(N(C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000360904158 271164517 /nfs/dbraw/zinc/16/45/17/271164517.db2.gz OTBFDBSKANLZKQ-UHFFFAOYSA-N 1 0 324.429 0.964 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000420440696 271369671 /nfs/dbraw/zinc/36/96/71/271369671.db2.gz NMUHJTQAZBLUQK-YUMQZZPRSA-N 1 0 303.340 0.617 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000545191847 287987691 /nfs/dbraw/zinc/98/76/91/287987691.db2.gz OHRMIALNUGMGNJ-UHFFFAOYSA-N 1 0 317.353 0.840 20 5 DCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547728273 288073308 /nfs/dbraw/zinc/07/33/08/288073308.db2.gz GESWABUAIHKJOQ-SNVBAGLBSA-N 1 0 311.342 0.405 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CC[NH3+] ZINC000349941265 280198636 /nfs/dbraw/zinc/19/86/36/280198636.db2.gz WKCIYEFTZZBDIQ-PSASIEDQSA-N 1 0 312.374 0.681 20 5 DCBDRO C[C@H](C[S@@](C)=O)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563530185 288683190 /nfs/dbraw/zinc/68/31/90/288683190.db2.gz CUOTYRUWSNHSLF-NNUHMIRASA-N 1 0 316.379 0.691 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000564836127 288774261 /nfs/dbraw/zinc/77/42/61/288774261.db2.gz FFSZDGHUTSHERV-SECBINFHSA-N 1 0 307.306 0.929 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000165614683 302044343 /nfs/dbraw/zinc/04/43/43/302044343.db2.gz WPXXXKYFQMBETB-JTQLQIEISA-N 1 0 315.351 0.251 20 5 DCBDRO C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000570308767 332737986 /nfs/dbraw/zinc/73/79/86/332737986.db2.gz CKEONLUCIDYENV-NXEZZACHSA-N 1 0 314.367 0.595 20 5 DCBDRO CNC(=O)CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571315891 333730970 /nfs/dbraw/zinc/73/09/70/333730970.db2.gz PGZDAPGXPLGOJC-LBPRGKRZSA-N 1 0 311.338 0.450 20 5 DCBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000583744168 337328463 /nfs/dbraw/zinc/32/84/63/337328463.db2.gz PWTOVTXJLXPNKB-NSHDSACASA-N 1 0 322.365 0.320 20 5 DCBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000266318778 521493901 /nfs/dbraw/zinc/49/39/01/521493901.db2.gz RPYUDJIMMMZQBH-GFCCVEGCSA-N 1 0 309.370 0.982 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000156226370 522290084 /nfs/dbraw/zinc/29/00/84/522290084.db2.gz SPMHHYVLCVRFSU-SECBINFHSA-N 1 0 314.367 0.430 20 5 DCBDRO C[N@H+](CCCn1ccnc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130373768 522803633 /nfs/dbraw/zinc/80/36/33/522803633.db2.gz GYTBCFGOEOTPNB-CYBMUJFWSA-N 1 0 308.342 0.371 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000331743690 534758762 /nfs/dbraw/zinc/75/87/62/534758762.db2.gz GWRCYDGQKBTJMA-NSHDSACASA-N 1 0 308.342 0.273 20 5 DCBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246965501 525085145 /nfs/dbraw/zinc/08/51/45/525085145.db2.gz LKWOWJOBNYTJIQ-YRGRVCCFSA-N 1 0 309.370 0.321 20 5 DCBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246965482 525089275 /nfs/dbraw/zinc/08/92/75/525089275.db2.gz LKWOWJOBNYTJIQ-MBNYWOFBSA-N 1 0 309.370 0.321 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000189381679 525796592 /nfs/dbraw/zinc/79/65/92/525796592.db2.gz BGDOHNPRLFWRNO-LLVKDONJSA-N 1 0 322.365 0.192 20 5 DCBDRO NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000130626976 526962101 /nfs/dbraw/zinc/96/21/01/526962101.db2.gz UIPMYHUWLYXKLQ-NEPJUHHUSA-N 1 0 308.338 0.390 20 5 DCBDRO [NH3+]C1(CO)CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC000737765623 598896317 /nfs/dbraw/zinc/89/63/17/598896317.db2.gz VMALLNMGHKNLCC-UHFFFAOYSA-N 1 0 319.325 0.065 20 5 DCBDRO C[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736859390 598499241 /nfs/dbraw/zinc/49/92/41/598499241.db2.gz GVOVTPQHCUZYLC-QMMMGPOBSA-N 1 0 304.314 0.676 20 5 DCBDRO CC(C)(C)[NH2+]CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735623441 598499748 /nfs/dbraw/zinc/49/97/48/598499748.db2.gz OBQCEFNXWUNGPP-UHFFFAOYSA-N 1 0 306.330 0.970 20 5 DCBDRO C[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000820774946 606719121 /nfs/dbraw/zinc/71/91/21/606719121.db2.gz HHKJBXRJTYUBLG-PSASIEDQSA-N 1 0 318.341 0.556 20 5 DCBDRO C[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000820774955 606719151 /nfs/dbraw/zinc/71/91/51/606719151.db2.gz HHKJBXRJTYUBLG-WPRPVWTQSA-N 1 0 318.341 0.556 20 5 DCBDRO CC[N@H+]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000821241860 606719942 /nfs/dbraw/zinc/71/99/42/606719942.db2.gz PIOLKXQEWHPXRW-WPRPVWTQSA-N 1 0 318.341 0.922 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)CC2CC2)C1 ZINC001021766329 658370471 /nfs/dbraw/zinc/37/04/71/658370471.db2.gz JGJHHNWRTYKDBH-PHIMTYICSA-N 1 0 307.354 0.865 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1nnc[nH]1 ZINC001020781053 658461211 /nfs/dbraw/zinc/46/12/11/658461211.db2.gz DLQVCMZLEHPERE-XYPYZODXSA-N 1 0 316.321 0.764 20 5 DCBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000890883546 658734571 /nfs/dbraw/zinc/73/45/71/658734571.db2.gz HVHLYCMDBYCHOK-UHFFFAOYSA-N 1 0 324.381 0.803 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC1C[NH2+]C1 ZINC000262016578 661960990 /nfs/dbraw/zinc/96/09/90/661960990.db2.gz LFMCRTZQFSVOBA-UHFFFAOYSA-N 1 0 306.322 0.050 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC1CCC1 ZINC001029304624 662098016 /nfs/dbraw/zinc/09/80/16/662098016.db2.gz CGOOCSDOFXQXSX-AYRXBEOTSA-N 1 0 323.393 0.896 20 5 DCBDRO CCc1nn(C)c(N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000895247495 662156040 /nfs/dbraw/zinc/15/60/40/662156040.db2.gz UTZBDABLKWUGQE-JQWIXIFHSA-N 1 0 310.402 0.937 20 5 DCBDRO Cn1c2cc(NC[C@H]3CC[N@@H+]3C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000895768478 662213493 /nfs/dbraw/zinc/21/34/93/662213493.db2.gz CLLLEGVYHAKXNY-SECBINFHSA-N 1 0 305.338 0.901 20 5 DCBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896563216 662291399 /nfs/dbraw/zinc/29/13/99/662291399.db2.gz KMKMADZPOVVSMR-DOMZBBRYSA-N 1 0 320.393 0.888 20 5 DCBDRO Cn1cncc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431913 662443766 /nfs/dbraw/zinc/44/37/66/662443766.db2.gz UOKCGAYIMNTNHP-ZIAGYGMSSA-N 1 0 321.381 0.508 20 5 DCBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)C(N)=O)CC1 ZINC000985613208 662492566 /nfs/dbraw/zinc/49/25/66/662492566.db2.gz LESCYBCPXDMRNB-UHFFFAOYSA-N 1 0 320.349 0.503 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000900332563 663234543 /nfs/dbraw/zinc/23/45/43/663234543.db2.gz YXQKIGYTANCJIC-HIFRSBDPSA-N 1 0 307.350 0.709 20 5 DCBDRO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000903285485 663451034 /nfs/dbraw/zinc/45/10/34/663451034.db2.gz KYXYGOGONGZPLX-SWLSCSKDSA-N 1 0 309.366 0.939 20 5 DCBDRO Cc1c(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000907695366 663712646 /nfs/dbraw/zinc/71/26/46/663712646.db2.gz KXJQDOCNECXHKA-WFASDCNBSA-N 1 0 307.350 0.975 20 5 DCBDRO CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000941407567 665991313 /nfs/dbraw/zinc/99/13/13/665991313.db2.gz SPOLSWSRBJDNDI-HUUCEWRRSA-N 1 0 324.425 0.526 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)n1 ZINC000913284102 664298056 /nfs/dbraw/zinc/29/80/56/664298056.db2.gz MKIRRIHALIMLJF-OKILXGFUSA-N 1 0 307.354 0.742 20 5 DCBDRO CCc1ccc(C(=O)N2CCN(C)[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000913550205 664350805 /nfs/dbraw/zinc/35/08/05/664350805.db2.gz OVMPDVYQUJMBOV-ZDUSSCGKSA-N 1 0 307.350 0.906 20 5 DCBDRO NC(=O)CN1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000731454721 664864433 /nfs/dbraw/zinc/86/44/33/664864433.db2.gz LANPZYLWDAKDMB-UHFFFAOYSA-N 1 0 324.312 0.413 20 5 DCBDRO Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001001399080 666042091 /nfs/dbraw/zinc/04/20/91/666042091.db2.gz IPWYWMPREFZOOJ-ZIAGYGMSSA-N 1 0 322.365 0.976 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861544741 666942962 /nfs/dbraw/zinc/94/29/62/666942962.db2.gz PDJBGGBNMJRMHM-ZETCQYMHSA-N 1 0 312.301 0.786 20 5 DCBDRO C[C@]12C[NH2+]C[C@H]1CN(C[C@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000923427155 667531125 /nfs/dbraw/zinc/53/11/25/667531125.db2.gz SMPBJLNBSIRWNX-HEHGZKQESA-N 1 0 321.377 0.876 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000749648252 667959260 /nfs/dbraw/zinc/95/92/60/667959260.db2.gz RXLQGBVTJBEZRR-CMPLNLGQSA-N 1 0 300.336 0.405 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[NH+]1CCC1 ZINC000752291793 668015340 /nfs/dbraw/zinc/01/53/40/668015340.db2.gz FWYZBWPYOGHPPP-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707347 668135507 /nfs/dbraw/zinc/13/55/07/668135507.db2.gz SYFMGFQGHJJVEM-SYQHCUMBSA-N 1 0 311.382 0.536 20 5 DCBDRO C[NH+](C)C[C@@H]1NC(=O)N(CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000924514730 668213478 /nfs/dbraw/zinc/21/34/78/668213478.db2.gz SNEYLWSDMQIJSE-LBPRGKRZSA-N 1 0 306.322 0.619 20 5 DCBDRO C[NH+](C)C[C@@H]1NC(=O)N(CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000924624584 668222643 /nfs/dbraw/zinc/22/26/43/668222643.db2.gz MANAOSVPHHYXBT-LBPRGKRZSA-N 1 0 306.322 0.619 20 5 DCBDRO CNC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCC1 ZINC000761679474 668333980 /nfs/dbraw/zinc/33/39/80/668333980.db2.gz DBWIZDGGMKQSKJ-UHFFFAOYSA-N 1 0 308.338 0.405 20 5 DCBDRO C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763336874 668405447 /nfs/dbraw/zinc/40/54/47/668405447.db2.gz NWSPDZWGMFFKNK-KGLIPLIRSA-N 1 0 322.413 0.707 20 5 DCBDRO C[NH+](C)C[C@H](N)C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000876730745 668497976 /nfs/dbraw/zinc/49/79/76/668497976.db2.gz KTURKUPGEDZVTE-AWEZNQCLSA-N 1 0 321.381 0.132 20 5 DCBDRO CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774155782 668824697 /nfs/dbraw/zinc/82/46/97/668824697.db2.gz DDLQAYMDSXOKBT-GHMZBOCLSA-N 1 0 316.383 0.909 20 5 DCBDRO CN(C)C(=O)NCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000777715693 668890675 /nfs/dbraw/zinc/89/06/75/668890675.db2.gz GRPOVPGFCQLCBN-ZDUSSCGKSA-N 1 0 310.354 0.831 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC000879072125 668979640 /nfs/dbraw/zinc/97/96/40/668979640.db2.gz RNCTUXOXUYNREB-JQWIXIFHSA-N 1 0 305.338 0.970 20 5 DCBDRO CN1C(=O)[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]2C1=O ZINC000879532194 669056213 /nfs/dbraw/zinc/05/62/13/669056213.db2.gz SPFMVMRAODXCQS-PHIMTYICSA-N 1 0 319.317 0.520 20 5 DCBDRO CN1C(=O)[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C[C@H]2C1=O ZINC000879535985 669059565 /nfs/dbraw/zinc/05/95/65/669059565.db2.gz XJSHGMBNUCHATK-AOOOYVTPSA-N 1 0 307.281 0.781 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)cc1 ZINC000880072207 669154921 /nfs/dbraw/zinc/15/49/21/669154921.db2.gz WPMJVFXPAKPYKI-XHSDSOJGSA-N 1 0 321.377 0.769 20 5 DCBDRO C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc([N+](=O)[O-])cc1 ZINC000932182579 669330281 /nfs/dbraw/zinc/33/02/81/669330281.db2.gz DMNAVVSFYFKVFG-JTQLQIEISA-N 1 0 318.333 0.843 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000036296896 669336934 /nfs/dbraw/zinc/33/69/34/669336934.db2.gz HZXAMHDFGBFIRX-VIFPVBQESA-N 1 0 315.351 0.715 20 5 DCBDRO Cn1cc(CN2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000883441770 669688633 /nfs/dbraw/zinc/68/86/33/669688633.db2.gz XCUQKWVYQYIAQA-IONNQARKSA-N 1 0 307.276 0.897 20 5 DCBDRO COC(=O)c1cc(C)nc(N2CCC([NH3+])(CO)CC2)c1[N+](=O)[O-] ZINC000804458674 670295546 /nfs/dbraw/zinc/29/55/46/670295546.db2.gz MNCNQDLZUKUHLH-UHFFFAOYSA-N 1 0 324.337 0.375 20 5 DCBDRO [NH3+]C[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000818524015 671028184 /nfs/dbraw/zinc/02/81/84/671028184.db2.gz UOWYSNPSYPNACA-LBPRGKRZSA-N 1 0 303.322 0.798 20 5 DCBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000818553130 671030551 /nfs/dbraw/zinc/03/05/51/671030551.db2.gz LEYJFWMWVJQYRC-UHFFFAOYSA-N 1 0 316.321 0.624 20 5 DCBDRO CS(=O)(=O)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818971980 671081694 /nfs/dbraw/zinc/08/16/94/671081694.db2.gz DTEHAMHMHHZDRT-LBPRGKRZSA-N 1 0 302.352 0.653 20 5 DCBDRO C[C@H]1COCCN1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819018498 671085062 /nfs/dbraw/zinc/08/50/62/671085062.db2.gz UBSVBCWVMUUUGE-SWLSCSKDSA-N 1 0 309.366 0.939 20 5 DCBDRO CC[S@](=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819046869 671089428 /nfs/dbraw/zinc/08/94/28/671089428.db2.gz DMPGRWASNHNEJX-FIKIJFGZSA-N 1 0 316.379 0.693 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CN(C)CCO1 ZINC000819177150 671099894 /nfs/dbraw/zinc/09/98/94/671099894.db2.gz AYYSTGWHYKJWJX-GLQYFDAESA-N 1 0 309.366 0.937 20 5 DCBDRO [NH3+]CC12CC(C1)CN2C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000852858738 671176238 /nfs/dbraw/zinc/17/62/38/671176238.db2.gz IEXDQOIUNALZPE-UHFFFAOYSA-N 1 0 315.333 0.894 20 5 DCBDRO CN(CC1C[NH+](C)C1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21 ZINC000853553503 671243703 /nfs/dbraw/zinc/24/37/03/671243703.db2.gz PDSMXSSPSJKUJQ-UHFFFAOYSA-N 1 0 306.322 0.954 20 5 DCBDRO CC(C)(CCC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[N+](=O)[O-] ZINC000823152260 671372949 /nfs/dbraw/zinc/37/29/49/671372949.db2.gz OUYONSOEUSNECI-QWHCGFSZSA-N 1 0 313.398 0.880 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000825245439 671454070 /nfs/dbraw/zinc/45/40/70/671454070.db2.gz KIQAKEZYYZUGJG-RNCFNFMXSA-N 1 0 309.297 0.933 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000842801564 672038978 /nfs/dbraw/zinc/03/89/78/672038978.db2.gz MKEBLYWAMAICCN-OCAPTIKFSA-N 1 0 301.324 0.371 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000843062627 672057805 /nfs/dbraw/zinc/05/78/05/672057805.db2.gz LGKUYLYFXWHDEJ-ONGXEEELSA-N 1 0 324.255 0.847 20 5 DCBDRO CCOC(=O)C[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843078362 672059245 /nfs/dbraw/zinc/05/92/45/672059245.db2.gz YEDQGLOMCKQJKD-DGCLKSJQSA-N 1 0 312.322 0.532 20 5 DCBDRO Cn1cc(C[C@@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000843117456 672063448 /nfs/dbraw/zinc/06/34/48/672063448.db2.gz XYHWXYKORYBSCP-ZFWWWQNUSA-N 1 0 320.349 0.555 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CO)CN2CCCC2)c1 ZINC000843118117 672064052 /nfs/dbraw/zinc/06/40/52/672064052.db2.gz WOYBRPGOBFCMFY-ZFWWWQNUSA-N 1 0 309.366 0.675 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000843134961 672065636 /nfs/dbraw/zinc/06/56/36/672065636.db2.gz IIACTJQGLAJQNF-UHFFFAOYSA-N 1 0 319.321 0.730 20 5 DCBDRO Cc1nn(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000902641710 685458763 /nfs/dbraw/zinc/45/87/63/685458763.db2.gz AEUWMLYTQCWFGK-QWHCGFSZSA-N 1 0 309.370 0.588 20 5 DCBDRO COCC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001040699833 694597288 /nfs/dbraw/zinc/59/72/88/694597288.db2.gz GQTVBJCJUYIBQP-CHWSQXEVSA-N 1 0 311.382 0.613 20 5 DCBDRO Cc1cncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001020139094 693709918 /nfs/dbraw/zinc/70/99/18/693709918.db2.gz QFEJWCYJKPIBRT-AAVRWANBSA-N 1 0 304.350 0.792 20 5 DCBDRO CN(C)c1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001691315204 1157639201 /nfs/dbraw/zinc/63/92/01/1157639201.db2.gz YLCRTUXEEHFPRW-UKRRQHHQSA-N 1 0 320.393 0.966 20 5 DCBDRO CN(C)c1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001567494273 1160395364 /nfs/dbraw/zinc/39/53/64/1160395364.db2.gz WBDYIBNPVBBQKA-HUUCEWRRSA-N 1 0 320.393 0.966 20 5 DCBDRO COc1cccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001569932418 1161329617 /nfs/dbraw/zinc/32/96/17/1161329617.db2.gz PNJGRCCJQASPQP-LLVKDONJSA-N 1 0 323.349 0.790 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CC[C@@]3(C2)C[NH2+]CCO3)c1[N+](=O)[O-] ZINC001577603650 1164735956 /nfs/dbraw/zinc/73/59/56/1164735956.db2.gz TZUOXQQXFCPZNX-AWEZNQCLSA-N 1 0 323.353 0.475 20 5 DCBDRO CNc1c(C(=O)N2CCC([NH2+]CCO)CC2)cccc1[N+](=O)[O-] ZINC001578754262 1165096196 /nfs/dbraw/zinc/09/61/96/1165096196.db2.gz NHEMCLUBFQCTKX-UHFFFAOYSA-N 1 0 322.365 0.823 20 5 DCBDRO COc1ccc(C(=O)CNC(=O)[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001579188917 1165233599 /nfs/dbraw/zinc/23/35/99/1165233599.db2.gz SIKFOKGYXRVIAG-RKDXNWHRSA-N 1 0 309.322 0.886 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+][C@H]2C[C@H]21 ZINC001579242675 1165247609 /nfs/dbraw/zinc/24/76/09/1165247609.db2.gz XBBWRQJLIIEFBS-NWDGAFQWSA-N 1 0 306.322 0.859 20 5 DCBDRO C[C@@H](O)[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC001579414775 1165302407 /nfs/dbraw/zinc/30/24/07/1165302407.db2.gz OZUAMGRXODCSCC-HQJQHLMTSA-N 1 0 301.730 0.915 20 5 DCBDRO Cc1cc(S(=O)(=O)NCC2([NH3+])CC2)cc([N+](=O)[O-])c1F ZINC001579641000 1165368208 /nfs/dbraw/zinc/36/82/08/1165368208.db2.gz JSBILSPXJGNACC-UHFFFAOYSA-N 1 0 303.315 0.812 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001580384347 1165590984 /nfs/dbraw/zinc/59/09/84/1165590984.db2.gz ZKXCAUXZSZKYQA-OCCSQVGLSA-N 1 0 320.349 0.958 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001580666612 1165679035 /nfs/dbraw/zinc/67/90/35/1165679035.db2.gz SKYTXNBBHAVFAB-SSDOTTSWSA-N 1 0 301.249 0.591 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001580840181 1165732479 /nfs/dbraw/zinc/73/24/79/1165732479.db2.gz IVUHUHVBIPYHEN-CYBMUJFWSA-N 1 0 308.269 0.343 20 5 DCBDRO Nc1ncc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC001583990104 1166298500 /nfs/dbraw/zinc/29/85/00/1166298500.db2.gz XJDLDIJIDHXBPS-MNOVXSKESA-N 1 0 321.337 0.165 20 5 DCBDRO C[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1CO ZINC001590272168 1166833918 /nfs/dbraw/zinc/83/39/18/1166833918.db2.gz MJRSJVSETGTNKH-RNCFNFMXSA-N 1 0 318.337 0.978 20 5 DCBDRO O=[N+]([O-])c1cc(NC[C@H]2CSCC[NH2+]2)ccc1-c1nn[nH]n1 ZINC001593473422 1167860947 /nfs/dbraw/zinc/86/09/47/1167860947.db2.gz BMJZJLGIBPTJAS-VIFPVBQESA-N 1 0 321.366 0.892 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001620943558 1167961059 /nfs/dbraw/zinc/96/10/59/1167961059.db2.gz ATWFUJQDJCYXBS-WDEREUQCSA-N 1 0 308.338 0.355 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001604855445 1169711221 /nfs/dbraw/zinc/71/12/21/1169711221.db2.gz HVVKXJWNFWYXLK-ZDUSSCGKSA-N 1 0 319.325 0.253 20 5 DCBDRO C[NH+]1CCC(Nc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001609283725 1170911680 /nfs/dbraw/zinc/91/16/80/1170911680.db2.gz LVEJRQKYWUMMFP-UHFFFAOYSA-N 1 0 304.314 0.676 20 5 DCBDRO CO[C@H]1COCC[C@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620540556 1171404119 /nfs/dbraw/zinc/40/41/19/1171404119.db2.gz RPKNINUNWACOJV-OCCSQVGLSA-N 1 0 323.349 0.929 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001632796898 1171625687 /nfs/dbraw/zinc/62/56/87/1171625687.db2.gz KOWYBKDVPFVKAF-UHFFFAOYSA-N 1 0 300.403 0.576 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001635942887 1171717838 /nfs/dbraw/zinc/71/78/38/1171717838.db2.gz ZZHXMFHQBYUGPJ-NSHDSACASA-N 1 0 320.349 0.596 20 5 DCBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCN2CCO[C@H]1C2 ZINC001643189523 1171969085 /nfs/dbraw/zinc/96/90/85/1171969085.db2.gz MEGCSQAPNAQKTN-KGLIPLIRSA-N 1 0 322.365 0.161 20 5 DCBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCN3CCOC[C@@]3(CO)C2)cc1 ZINC001644676944 1172012757 /nfs/dbraw/zinc/01/27/57/1172012757.db2.gz SIAUADORWFBSPV-INIZCTEOSA-N 1 0 321.377 0.516 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001646378308 1172356778 /nfs/dbraw/zinc/35/67/78/1172356778.db2.gz DUKGDNOHRKWYJR-NSHDSACASA-N 1 0 309.370 0.946 20 5 DCBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])cnc3N)C[C@]2(C)C1 ZINC001648020183 1173064999 /nfs/dbraw/zinc/06/49/99/1173064999.db2.gz XAODOVBDCKVUEY-GJZGRUSLSA-N 1 0 319.365 0.986 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])[C@H]2C1 ZINC001648175540 1173068660 /nfs/dbraw/zinc/06/86/60/1173068660.db2.gz UGGRIQGSNOMBNA-LSJOCFKGSA-N 1 0 305.338 0.642 20 5 DCBDRO O=C(N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001650739565 1173731426 /nfs/dbraw/zinc/73/14/26/1173731426.db2.gz NOKLUGVTEOBVTP-JQWIXIFHSA-N 1 0 323.353 0.426 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001650895627 1173735352 /nfs/dbraw/zinc/73/53/52/1173735352.db2.gz FFRZUGPGEBIKRY-LLVKDONJSA-N 1 0 322.369 0.071 20 5 DCBDRO O=[N+]([O-])c1cc(CO)c(N2CC([NH2+][C@H]3CCOC3)C2)cc1F ZINC001651456473 1173749661 /nfs/dbraw/zinc/74/96/61/1173749661.db2.gz CJJSAZOGEQBDSG-JTQLQIEISA-N 1 0 311.313 0.793 20 5 DCBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC001659811488 1173937053 /nfs/dbraw/zinc/93/70/53/1173937053.db2.gz MFKKGDRCBOZYEI-KGLIPLIRSA-N 1 0 323.349 0.659 20 5 DCBDRO Nc1cc[nH+]c2c1CN(CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC001659861114 1173937080 /nfs/dbraw/zinc/93/70/80/1173937080.db2.gz KVQMUTZUFXEEJO-UHFFFAOYSA-N 1 0 315.333 0.792 20 5 DCBDRO O=C(NCC[N@H+](CCc1ccns1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001663722176 1174344978 /nfs/dbraw/zinc/34/49/78/1174344978.db2.gz FCYAYWJQPKJJFQ-CHWSQXEVSA-N 1 0 324.406 0.931 20 5 DCBDRO C[NH+](C)C1(CNS(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC001664696914 1174449765 /nfs/dbraw/zinc/44/97/65/1174449765.db2.gz GWKHKPMFYPVCMP-UHFFFAOYSA-N 1 0 300.340 0.362 20 5 DCBDRO Cc1nc(CC[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001668820216 1174845151 /nfs/dbraw/zinc/84/51/51/1174845151.db2.gz DHFYYTUUKBWRSC-XCUNLHGCSA-N 1 0 324.406 0.921 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001673151737 1175175983 /nfs/dbraw/zinc/17/59/83/1175175983.db2.gz DPYFQKCBLQAONT-UHFFFAOYSA-N 1 0 307.354 0.964 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]CCOCC(F)F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713159140 1180701823 /nfs/dbraw/zinc/70/18/23/1180701823.db2.gz QUUNGBUOCHGZIO-ZYUZMQFOSA-N 1 0 307.297 0.170 20 5 DCBDRO CN(CC[NH2+]Cc1ccncc1Cl)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713591182 1180949948 /nfs/dbraw/zinc/94/99/48/1180949948.db2.gz FIAYIFBQPQTCMF-ZYHUDNBSSA-N 1 0 312.757 0.948 20 5 DCBDRO Cc1cc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)no1 ZINC001714679932 1181475096 /nfs/dbraw/zinc/47/50/96/1181475096.db2.gz CPRYRLLGHQHEFG-UHFFFAOYSA-N 1 0 322.325 0.487 20 5 DCBDRO CCN(CC[NH2+]Cc1ccc(CO)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716217584 1182260127 /nfs/dbraw/zinc/26/01/27/1182260127.db2.gz YAKYYNCIOKADJK-HUUCEWRRSA-N 1 0 321.377 0.782 20 5 DCBDRO Cc1cccnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716292312 1182310390 /nfs/dbraw/zinc/31/03/90/1182310390.db2.gz HKUXQJDJGWWVRY-BTBCPRSTSA-N 1 0 304.350 0.817 20 5 DCBDRO Cc1nocc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001731949894 1185601170 /nfs/dbraw/zinc/60/11/70/1185601170.db2.gz WIHMWKAQOGXBQI-UHFFFAOYSA-N 1 0 322.325 0.487 20 5 DCBDRO CCN(CC[NH2+]Cc1ccnc(OC)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732774647 1185961811 /nfs/dbraw/zinc/96/18/11/1185961811.db2.gz HSGBXXGZCIULKI-VXGBXAGGSA-N 1 0 323.353 0.089 20 5 DCBDRO CCC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733803390 1186455622 /nfs/dbraw/zinc/45/56/22/1186455622.db2.gz VIEWWJDRYUEPSM-VXGBXAGGSA-N 1 0 323.353 0.596 20 5 DCBDRO CC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCOCC1 ZINC001754734037 1188913056 /nfs/dbraw/zinc/91/30/56/1188913056.db2.gz IHNIKJGBTWUWNY-UHFFFAOYSA-N 1 0 311.342 0.103 20 5 DCBDRO COc1cc(C)nc(N2CCN3CC[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164399505 718833202 /nfs/dbraw/zinc/83/32/02/718833202.db2.gz YOQNFZMFXIXIBL-LLVKDONJSA-N 1 0 307.354 0.401 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001164668718 719407912 /nfs/dbraw/zinc/40/79/12/719407912.db2.gz KBBVKCWAEKDOGP-NXEZZACHSA-N 1 0 314.729 0.401 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)n1 ZINC001164967889 722071039 /nfs/dbraw/zinc/07/10/39/722071039.db2.gz TYCXFMOFCIRNED-BETUJISGSA-N 1 0 319.365 0.993 20 5 DCBDRO CNS(=O)(=O)c1ccc(N[C@H]2CC[NH2+][C@@H]2C)c([N+](=O)[O-])c1 ZINC001578750198 1165095261 /nfs/dbraw/zinc/09/52/61/1165095261.db2.gz QCZHNCRANJPASI-SCZZXKLOSA-N 1 0 314.367 0.665 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c1[N+](=O)[O-] ZINC001167187727 747016006 /nfs/dbraw/zinc/01/60/06/747016006.db2.gz HLXVQOXCOUQNEG-SLHIUPAKSA-N 1 0 322.321 0.186 20 5 DCBDRO O=[N+]([O-])c1c(NCCOc2cccnc2)ncnc1C1C[NH2+]C1 ZINC001168619773 752751794 /nfs/dbraw/zinc/75/17/94/752751794.db2.gz UZYLJILRZKARIT-UHFFFAOYSA-N 1 0 316.321 0.958 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@@H]2C1 ZINC001048814577 754956705 /nfs/dbraw/zinc/95/67/05/754956705.db2.gz TYZBNNNCLPNBJD-LMLFDSFASA-N 1 0 321.299 0.994 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N2C[C@@H]3C[NH2+][C@@H]3C2)c1[N+](=O)[O-] ZINC001157619857 762433394 /nfs/dbraw/zinc/43/33/94/762433394.db2.gz PKOLDXXPGYCWOX-NTSWFWBYSA-N 1 0 313.701 0.233 20 5 DCBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2nccc(N)c2[N+](=O)[O-])O1 ZINC001170279431 762599228 /nfs/dbraw/zinc/59/92/28/762599228.db2.gz YQMYSRFOMMBLLU-GIPNMCIBSA-N 1 0 311.342 0.709 20 5 DCBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC(=O)NC2=O)c([N+](=O)[O-])c1 ZINC001170313280 762607853 /nfs/dbraw/zinc/60/78/53/762607853.db2.gz KKWRCIMIFWFJRW-ONGXEEELSA-N 1 0 321.333 0.787 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC2)C1 ZINC001086009640 759570478 /nfs/dbraw/zinc/57/04/78/759570478.db2.gz QRMLUVDPASITFK-JGZJWPJOSA-N 1 0 307.354 0.723 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)C1=COCCO1 ZINC001123019284 767915293 /nfs/dbraw/zinc/91/52/93/767915293.db2.gz BTLBPKXKQNQLDT-UHFFFAOYSA-N 1 0 313.335 0.750 20 5 DCBDRO CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001156228778 760488147 /nfs/dbraw/zinc/48/81/47/760488147.db2.gz NAHQWPUVSHLLRQ-ZCFIWIBFSA-N 1 0 315.717 0.752 20 5 DCBDRO [NH3+]Cc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978787 760528184 /nfs/dbraw/zinc/52/81/84/760528184.db2.gz UFZYBMVEQBQZKB-NEPJUHHUSA-N 1 0 313.379 0.869 20 5 DCBDRO COCCN1C[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1=O ZINC001169020118 760559153 /nfs/dbraw/zinc/55/91/53/760559153.db2.gz IMUSWIWNWZKRKV-MQYQWHSLSA-N 1 0 311.382 0.468 20 5 DCBDRO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001169018959 760559695 /nfs/dbraw/zinc/55/96/95/760559695.db2.gz FRTHXUIETCMLNB-XVIXHAIJSA-N 1 0 311.382 0.752 20 5 DCBDRO COc1nc(N2C[C@H]3C[C@@]3(C[NH+](C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001156385783 760882692 /nfs/dbraw/zinc/88/26/92/760882692.db2.gz RBVDXABOVXXDDV-YMTOWFKASA-N 1 0 323.353 0.790 20 5 DCBDRO O=C(CNC(=O)C1CC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124084309 768123267 /nfs/dbraw/zinc/12/32/67/768123267.db2.gz JVNMWYWLAHXQJX-UHFFFAOYSA-N 1 0 320.349 0.327 20 5 DCBDRO [NH3+]CCOCCOCCNc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001170513281 763484283 /nfs/dbraw/zinc/48/42/83/763484283.db2.gz GKXPSYKJQDGNOU-UHFFFAOYSA-N 1 0 324.337 0.242 20 5 DCBDRO [NH3+]CCOCCOCCNc1ccc2nc[nH]c2c1[N+](=O)[O-] ZINC001170512845 763487397 /nfs/dbraw/zinc/48/73/97/763487397.db2.gz PLGBHRFBYZWOGH-UHFFFAOYSA-N 1 0 309.326 0.875 20 5 DCBDRO Cn1cncc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001130896672 763560283 /nfs/dbraw/zinc/56/02/83/763560283.db2.gz KOMBLXXTLLLBSN-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170574699 763901137 /nfs/dbraw/zinc/90/11/37/763901137.db2.gz NUQUZYGGIRSIFX-KWQFWETISA-N 1 0 310.310 0.565 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170574698 763902113 /nfs/dbraw/zinc/90/21/13/763902113.db2.gz NUQUZYGGIRSIFX-KCJUWKMLSA-N 1 0 310.310 0.565 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1csnn1 ZINC001131972815 764155055 /nfs/dbraw/zinc/15/50/55/764155055.db2.gz VFGHQPGFXJAULJ-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135381003 765911312 /nfs/dbraw/zinc/91/13/12/765911312.db2.gz JFVGJBHIACRFRG-UHFFFAOYSA-N 1 0 322.365 0.715 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001118037457 766203008 /nfs/dbraw/zinc/20/30/08/766203008.db2.gz CPZAPUXTNAHYOK-VHSXEESVSA-N 1 0 308.338 0.544 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)C[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC001118921534 766470428 /nfs/dbraw/zinc/47/04/28/766470428.db2.gz WYHBWUDXUZKCCW-VHSXEESVSA-N 1 0 308.338 0.578 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cc[nH+]cc2)c1 ZINC001120860946 767267392 /nfs/dbraw/zinc/26/73/92/767267392.db2.gz YVPFGUWHEYHLDP-UHFFFAOYSA-N 1 0 322.346 0.802 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC[NH2+]CC1 ZINC001122288350 767761011 /nfs/dbraw/zinc/76/10/11/767761011.db2.gz SIHMMRYJHSTZOL-UHFFFAOYSA-N 1 0 321.381 0.296 20 5 DCBDRO C[NH+](C)CCC(=O)NCCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001094752408 769251801 /nfs/dbraw/zinc/25/18/01/769251801.db2.gz SPQSMKKOFYFQHC-UHFFFAOYSA-N 1 0 311.342 0.565 20 5 DCBDRO CCn1nc(C(C)=O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1C ZINC001233662528 769421005 /nfs/dbraw/zinc/42/10/05/769421005.db2.gz NGRRTWUMGSXIEZ-GFCCVEGCSA-N 1 0 312.390 0.777 20 5 DCBDRO Cc1c[nH]cc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001176042406 770007203 /nfs/dbraw/zinc/00/72/03/770007203.db2.gz FOUVHFAPKKAHGA-UHFFFAOYSA-N 1 0 320.353 0.875 20 5 DCBDRO C[C@@H]1Cc2n[nH]cc2C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001176143847 770032343 /nfs/dbraw/zinc/03/23/43/770032343.db2.gz AXHHRAAELKXCJV-ZWNOBZJWSA-N 1 0 320.353 0.570 20 5 DCBDRO CN(C(=O)CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C1CC1 ZINC001155161581 770418618 /nfs/dbraw/zinc/41/86/18/770418618.db2.gz JMPYSEVVKSTDGS-UHFFFAOYSA-N 1 0 320.353 0.494 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001155424428 770497597 /nfs/dbraw/zinc/49/75/97/770497597.db2.gz AERXHILUEZDOGB-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO COc1nc(NCC[C@H]2CCOC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155471288 770514092 /nfs/dbraw/zinc/51/40/92/770514092.db2.gz PXUYUBJSBZPFSJ-VIFPVBQESA-N 1 0 309.326 0.574 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)N1 ZINC001155574471 770550987 /nfs/dbraw/zinc/55/09/87/770550987.db2.gz HMEHLLIITGNDOP-TVQRCGJNSA-N 1 0 302.294 0.461 20 5 DCBDRO CC(C)Oc1nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155581865 770555196 /nfs/dbraw/zinc/55/51/96/770555196.db2.gz VMWRSIBQKGPZTB-YGRLFVJLSA-N 1 0 321.337 0.767 20 5 DCBDRO COc1cnc(N(c2ncccn2)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001155869480 770644757 /nfs/dbraw/zinc/64/47/57/770644757.db2.gz FIGKCHPSMBVDMP-UHFFFAOYSA-N 1 0 302.294 0.898 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c(C)ncc(C[NH3+])c2=N)n1 ZINC001156831094 770938362 /nfs/dbraw/zinc/93/83/62/770938362.db2.gz OWWDBJDHDMSREC-UHFFFAOYSA-N 1 0 318.293 0.209 20 5 DCBDRO O=[N+]([O-])c1cnc(NCCN2CCSCC2)nc1C1C[NH2+]C1 ZINC001157050313 771524664 /nfs/dbraw/zinc/52/46/64/771524664.db2.gz RDPBMEKIKMTPCB-UHFFFAOYSA-N 1 0 324.410 0.532 20 5 DCBDRO COC(=O)c1ccnc(NC(=N)NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157096319 771533220 /nfs/dbraw/zinc/53/32/20/771533220.db2.gz GSXVJSQMKAOEOI-UHFFFAOYSA-N 1 0 310.314 0.452 20 5 DCBDRO Cc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC001157761054 771665065 /nfs/dbraw/zinc/66/50/65/771665065.db2.gz LHSRCZGRIIZFMK-ZIAGYGMSSA-N 1 0 306.366 0.960 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC001158274250 771750631 /nfs/dbraw/zinc/75/06/31/771750631.db2.gz UFMWSGCAZRSELX-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO [NH3+][C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC12COC2 ZINC001158768333 771819600 /nfs/dbraw/zinc/81/96/00/771819600.db2.gz BKGDDLBHONCJKE-NSHDSACASA-N 1 0 301.306 0.702 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(C[NH2+]C3)CC2)n1 ZINC001159049497 771853155 /nfs/dbraw/zinc/85/31/55/771853155.db2.gz IVFREBQQTDIHBU-UHFFFAOYSA-N 1 0 306.322 0.966 20 5 DCBDRO COc1nc(N[C@@]2(C[NH3+])CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160510039 772052948 /nfs/dbraw/zinc/05/29/48/772052948.db2.gz DXYBNNASIDJXFK-AWEZNQCLSA-N 1 0 307.354 0.833 20 5 DCBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001161197738 772183604 /nfs/dbraw/zinc/18/36/04/772183604.db2.gz GAYUIJPJKDNERS-CYBMUJFWSA-N 1 0 311.342 0.005 20 5 DCBDRO CCCC[C@H](Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(N)=O ZINC001162283586 772352521 /nfs/dbraw/zinc/35/25/21/772352521.db2.gz FBPJEPTVOZFXML-VIFPVBQESA-N 1 0 308.342 0.528 20 5 DCBDRO COc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)nc(OC)c1[N+](=O)[O-] ZINC001162792911 772418707 /nfs/dbraw/zinc/41/87/07/772418707.db2.gz JAHMAUUSNRYLQX-DJLDLDEBSA-N 1 0 307.310 0.588 20 5 DCBDRO COC(=O)[C@@H](Nc1cccc2ncc([N+](=O)[O-])n21)C(C)(C)[NH3+] ZINC001162956314 772435971 /nfs/dbraw/zinc/43/59/71/772435971.db2.gz MDQPHVBVFXGRQP-LLVKDONJSA-N 1 0 307.310 0.933 20 5 DCBDRO O=[N+]([O-])c1cccc2cnc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)nc21 ZINC001163141637 772471021 /nfs/dbraw/zinc/47/10/21/772471021.db2.gz PNFAESSPEVZRDB-GMTAPVOTSA-N 1 0 301.306 0.937 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163147311 772471659 /nfs/dbraw/zinc/47/16/59/772471659.db2.gz OHENFQYZCILGSW-FBIMIBRVSA-N 1 0 308.294 0.175 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001163193053 772479889 /nfs/dbraw/zinc/47/98/89/772479889.db2.gz KUTOLQMMCYNYPA-AMIZOPFISA-N 1 0 308.294 0.319 20 5 DCBDRO COC(=O)c1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc([N+](=O)[O-])c1 ZINC001163252079 772492022 /nfs/dbraw/zinc/49/20/22/772492022.db2.gz DTWJKCZSUPEPED-BXUZGUMPSA-N 1 0 320.305 0.371 20 5 DCBDRO CCOc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001163255884 772494836 /nfs/dbraw/zinc/49/48/36/772494836.db2.gz ZXIZISNDJXEUQK-GXTWGEPZSA-N 1 0 306.322 0.984 20 5 DCBDRO NC(=O)c1ccnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163316983 772505285 /nfs/dbraw/zinc/50/52/85/772505285.db2.gz RRGTZBJBKKVARB-OTYXRUKQSA-N 1 0 321.337 0.412 20 5 DCBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001163444418 772525988 /nfs/dbraw/zinc/52/59/88/772525988.db2.gz DBQIDROAGKGYAQ-JTQLQIEISA-N 1 0 311.342 0.192 20 5 DCBDRO CCOC(=O)c1cn(-c2cc(OC)c([N+](=O)[O-])cn2)nc1C[NH3+] ZINC001163520222 772533512 /nfs/dbraw/zinc/53/35/12/772533512.db2.gz DYLKLDHCGKTZSD-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO CCOC(=O)c1cn(-c2cc(N)c([N+](=O)[O-])cn2)nc1C[NH3+] ZINC001163525613 772535597 /nfs/dbraw/zinc/53/55/97/772535597.db2.gz XSSFZRITYAJYQD-UHFFFAOYSA-N 1 0 306.282 0.393 20 5 DCBDRO C[NH2+]CCN(C)c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-] ZINC001163718712 772561293 /nfs/dbraw/zinc/56/12/93/772561293.db2.gz ATTCEIBVBIOZOQ-UHFFFAOYSA-N 1 0 303.706 0.480 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001163892295 772585573 /nfs/dbraw/zinc/58/55/73/772585573.db2.gz VGMBGEPZZVILRH-VIFPVBQESA-N 1 0 323.353 0.346 20 5 DCBDRO COc1nc(N2C[C@H](C)CC[C@@H]2C[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001164070919 772610512 /nfs/dbraw/zinc/61/05/12/772610512.db2.gz QETSOMOQIHQZNZ-RKDXNWHRSA-N 1 0 311.342 0.966 20 5 DCBDRO Nc1nc(N[C@H]2CCC[N@@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001164124250 772614454 /nfs/dbraw/zinc/61/44/54/772614454.db2.gz GUKIZXQROBOBSA-WCBMZHEXSA-N 1 0 310.383 0.959 20 5 DCBDRO O=C1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@H]1F ZINC001164140364 772616082 /nfs/dbraw/zinc/61/60/82/772616082.db2.gz YZAOJQRHTHSXQB-VIFPVBQESA-N 1 0 309.301 0.579 20 5 DCBDRO Cn1nccc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490355 772667689 /nfs/dbraw/zinc/66/76/89/772667689.db2.gz FXIRPXPTNVQFBS-CHWSQXEVSA-N 1 0 321.381 0.461 20 5 DCBDRO COCCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494807 772668156 /nfs/dbraw/zinc/66/81/56/772668156.db2.gz TYHKCNACAFVVHZ-CHWSQXEVSA-N 1 0 313.398 0.954 20 5 DCBDRO COc1nc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001165151458 772701652 /nfs/dbraw/zinc/70/16/52/772701652.db2.gz UZCKJFNQNCQFPV-IUCAKERBSA-N 1 0 309.326 0.400 20 5 DCBDRO COc1cc(N2CC(=O)NC3(CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC001165253166 772711541 /nfs/dbraw/zinc/71/15/41/772711541.db2.gz VYQUAJAXLKJBNW-UHFFFAOYSA-N 1 0 321.337 0.057 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1cc(Cl)ncc1[N+](=O)[O-] ZINC001165437958 772737123 /nfs/dbraw/zinc/73/71/23/772737123.db2.gz WJDBTCHXOWPDSN-VIFPVBQESA-N 1 0 300.702 0.594 20 5 DCBDRO CCOc1nc(N2CC[NH2+]C[C@@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC001165443732 772739414 /nfs/dbraw/zinc/73/94/14/772739414.db2.gz YSROPFWMHMCDIV-SNVBAGLBSA-N 1 0 310.310 0.340 20 5 DCBDRO COC(=O)C1(Nc2ccc(OC)c([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC001166923103 772880135 /nfs/dbraw/zinc/88/01/35/772880135.db2.gz WTPIVJOQZQEDDC-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COC[C@@H]3O)CC2)cn1 ZINC001207066843 773167754 /nfs/dbraw/zinc/16/77/54/773167754.db2.gz KFYJAQNNNDSCPC-OLZOCXBDSA-N 1 0 308.338 0.308 20 5 DCBDRO Cn1ncc2c1CCC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001195114220 773328794 /nfs/dbraw/zinc/32/87/94/773328794.db2.gz RVYNPWIZYTVNER-UHFFFAOYSA-N 1 0 317.349 0.938 20 5 DCBDRO CC[N@H+](C)[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001196220226 773559775 /nfs/dbraw/zinc/55/97/75/773559775.db2.gz VNWNUQYQUYFYJS-SECBINFHSA-N 1 0 317.371 0.043 20 5 DCBDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001209656330 773631494 /nfs/dbraw/zinc/63/14/94/773631494.db2.gz IAAOFYWKAPNSRZ-SECBINFHSA-N 1 0 321.337 0.767 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001196868743 773661986 /nfs/dbraw/zinc/66/19/86/773661986.db2.gz CAAOEFDEYIJHGR-CQSZACIVSA-N 1 0 311.338 0.829 20 5 DCBDRO Cc1nccnc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001197543530 773763737 /nfs/dbraw/zinc/76/37/37/773763737.db2.gz QXQBRMBQRNNTBK-PWSUYJOCSA-N 1 0 306.326 0.601 20 5 DCBDRO CN1C(=O)Cc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc21 ZINC001225421333 775675888 /nfs/dbraw/zinc/67/58/88/775675888.db2.gz KFKBHVUIPYCIIL-GFCCVEGCSA-N 1 0 307.370 0.568 20 5 DCBDRO CO[C@@H]1CC[N@H+](CCOc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC001227112042 775929108 /nfs/dbraw/zinc/92/91/08/775929108.db2.gz WAWQYEIAKICRND-SNVBAGLBSA-N 1 0 312.282 0.998 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cocn1 ZINC001481213090 939637589 /nfs/dbraw/zinc/63/75/89/939637589.db2.gz CEBURZGOLLYKDC-UHFFFAOYSA-N 1 0 308.298 0.178 20 5 DCBDRO Cn1nccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001268036265 939796702 /nfs/dbraw/zinc/79/67/02/939796702.db2.gz ONMDQGOYWRZCEZ-CHWSQXEVSA-N 1 0 321.381 0.604 20 5 DCBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC001462256171 1013056118 /nfs/dbraw/zinc/05/61/18/1013056118.db2.gz VJXOJVLMSUIMFL-ZDUSSCGKSA-N 1 0 314.363 0.277 20 5 DCBDRO C[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]C[C@H]1O ZINC001247825435 945576936 /nfs/dbraw/zinc/57/69/36/945576936.db2.gz BEZANGYFXZDNQL-NOZJJQNGSA-N 1 0 323.284 0.791 20 5 DCBDRO NC(=O)COC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001252677342 945985351 /nfs/dbraw/zinc/98/53/51/945985351.db2.gz CMEUDXKVUIZGFW-UHFFFAOYSA-N 1 0 323.349 0.940 20 5 DCBDRO NC(=O)C1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC001254565729 946409405 /nfs/dbraw/zinc/40/94/05/946409405.db2.gz GEGGQRVOEOJRQH-ZDUSSCGKSA-N 1 0 319.361 0.934 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001261838094 947457309 /nfs/dbraw/zinc/45/73/09/947457309.db2.gz WQAHGOOTOKCVEO-UHFFFAOYSA-N 1 0 320.349 0.287 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC001262568057 947729151 /nfs/dbraw/zinc/72/91/51/947729151.db2.gz KTNXHIMGAUFWIG-KFWWJZLASA-N 1 0 323.397 0.759 20 5 DCBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001326353040 948138326 /nfs/dbraw/zinc/13/83/26/948138326.db2.gz WJLDXIKPAGTANY-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO C[NH+](C)CC[C@H](N)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326575982 948204087 /nfs/dbraw/zinc/20/40/87/948204087.db2.gz AESNZCFVHGLLGL-LBPRGKRZSA-N 1 0 324.385 0.234 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)n1 ZINC001326664394 948238761 /nfs/dbraw/zinc/23/87/61/948238761.db2.gz PRKFCHRHNAUJBL-UHFFFAOYSA-N 1 0 323.353 0.265 20 5 DCBDRO [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC001326938162 948335616 /nfs/dbraw/zinc/33/56/16/948335616.db2.gz PSPHLPAQGUOADM-CMPLNLGQSA-N 1 0 323.353 0.676 20 5 DCBDRO O=C(NC1(C[NH2+]CCCF)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001327634824 948578604 /nfs/dbraw/zinc/57/86/04/948578604.db2.gz LZHSAPRDGURDMX-GHMZBOCLSA-N 1 0 303.334 0.266 20 5 DCBDRO COC(=O)c1cc(C(=O)NOCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001328309103 948821750 /nfs/dbraw/zinc/82/17/50/948821750.db2.gz HHGMUYVHUMJSFS-UHFFFAOYSA-N 1 0 311.294 0.604 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCC1CC[NH2+]CC1 ZINC001328846139 949131287 /nfs/dbraw/zinc/13/12/87/949131287.db2.gz JRNORULFGWEORR-UHFFFAOYSA-N 1 0 308.338 0.262 20 5 DCBDRO NC(=O)COC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001331418476 951114314 /nfs/dbraw/zinc/11/43/14/951114314.db2.gz LRKUSJLCNOARMW-UHFFFAOYSA-N 1 0 323.349 0.940 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH2+]CC1 ZINC001332318333 951585420 /nfs/dbraw/zinc/58/54/20/951585420.db2.gz LSUQHWJNVPSUOA-UHFFFAOYSA-N 1 0 321.381 0.662 20 5 DCBDRO COc1c(O)ccc(CNC[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001333725557 952141555 /nfs/dbraw/zinc/14/15/55/952141555.db2.gz YOQJJMWZUGXOTM-GFCCVEGCSA-N 1 0 324.381 0.644 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC001341155702 953213495 /nfs/dbraw/zinc/21/34/95/953213495.db2.gz FENASYMGERPETE-QWHCGFSZSA-N 1 0 321.381 0.866 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](CCCCO)CC1 ZINC001341273787 953221299 /nfs/dbraw/zinc/22/12/99/953221299.db2.gz CIRKKFADWLBBGL-UHFFFAOYSA-N 1 0 324.381 0.147 20 5 DCBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001341622940 953240980 /nfs/dbraw/zinc/24/09/80/953240980.db2.gz JEQRBTGUQKCREV-NWDGAFQWSA-N 1 0 324.385 0.232 20 5 DCBDRO CN(C(=O)COc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342028200 953265073 /nfs/dbraw/zinc/26/50/73/953265073.db2.gz XDTQXYVVDSJGGH-MSRIBSCDSA-N 1 0 309.297 0.789 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001343180983 953326844 /nfs/dbraw/zinc/32/68/44/953326844.db2.gz RZCVCPCWSCKVOE-NSHDSACASA-N 1 0 309.322 0.664 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001346296512 953849676 /nfs/dbraw/zinc/84/96/76/953849676.db2.gz NDMSUSNWIXKDMM-RISCZKNCSA-N 1 0 304.350 0.599 20 5 DCBDRO COc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001346532699 953913217 /nfs/dbraw/zinc/91/32/17/953913217.db2.gz USJAFPACSCAAHQ-GXFFZTMASA-N 1 0 320.349 0.930 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001347174517 954039226 /nfs/dbraw/zinc/03/92/26/954039226.db2.gz FFSVMAGEEJNAMH-HNNXBMFYSA-N 1 0 323.349 0.499 20 5 DCBDRO CN1CC(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 ZINC001347362158 954077364 /nfs/dbraw/zinc/07/73/64/954077364.db2.gz IWIBKDPNBDVXOA-UHFFFAOYSA-N 1 0 310.379 0.728 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001349840951 954905435 /nfs/dbraw/zinc/90/54/35/954905435.db2.gz NJEVOPCPUWTHQY-YNEHKIRRSA-N 1 0 321.381 0.980 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC001353285181 956005652 /nfs/dbraw/zinc/00/56/52/956005652.db2.gz KHAVWVMNYRTPNA-HBNTYKKESA-N 1 0 307.354 0.707 20 5 DCBDRO CC1([NH+]2CCC2)CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001289489706 956753713 /nfs/dbraw/zinc/75/37/13/956753713.db2.gz ATMXNUCUEGPFDG-UHFFFAOYSA-N 1 0 322.369 0.710 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]1CO ZINC001308103203 960166726 /nfs/dbraw/zinc/16/67/26/960166726.db2.gz DSZBTYJFOUZKND-LLVKDONJSA-N 1 0 309.322 0.999 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2([C@@H]3CCCO3)CCC2)c1 ZINC001308159546 960167858 /nfs/dbraw/zinc/16/78/58/960167858.db2.gz DPTQFVFDRBFRCA-OLZOCXBDSA-N 1 0 310.354 0.844 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001471876781 1016680603 /nfs/dbraw/zinc/68/06/03/1016680603.db2.gz IHDOJGLIWUPPGX-UHFFFAOYSA-N 1 0 320.349 0.891 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001545709852 1005557456 /nfs/dbraw/zinc/55/74/56/1005557456.db2.gz MNKCMHGGRSJIEQ-WCBMZHEXSA-N 1 0 305.338 0.927 20 5 DCBDRO CCC(CC)C[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001506096307 1017009061 /nfs/dbraw/zinc/00/90/61/1017009061.db2.gz JDBOAJSBRKWPMI-CHWSQXEVSA-N 1 0 313.398 0.641 20 5 DCBDRO COc1c(O)ccc(C[NH2+]CCOCCCO)c1[N+](=O)[O-] ZINC001474516225 1017021908 /nfs/dbraw/zinc/02/19/08/1017021908.db2.gz BLNZCQPVNAYKAG-UHFFFAOYSA-N 1 0 300.311 0.798 20 5 DCBDRO CCO[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C[NH+](C)C ZINC001558264930 1012339887 /nfs/dbraw/zinc/33/98/87/1012339887.db2.gz FHPFSBUSTRBCIM-JTQLQIEISA-N 1 0 310.354 0.874 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558548849 1012365574 /nfs/dbraw/zinc/36/55/74/1012365574.db2.gz IMFRIYVDBUUIFG-SECBINFHSA-N 1 0 306.322 0.380 20 5 DCBDRO NC(=O)c1ccnc(N[C@@H]2CCC[N@H+](CCCO)C2)c1[N+](=O)[O-] ZINC001559193491 1012406157 /nfs/dbraw/zinc/40/61/57/1012406157.db2.gz FNMRBZIXDQDSRZ-SNVBAGLBSA-N 1 0 323.353 0.347 20 5 DCBDRO O=C(CC[N@@H+]1CC[C@@H](O)[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001559915255 1012436638 /nfs/dbraw/zinc/43/66/38/1012436638.db2.gz JVWOONRDYKEKTP-BXUZGUMPSA-N 1 0 323.349 0.599 20 5 DCBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nc[nH]n1 ZINC001497468103 1018154113 /nfs/dbraw/zinc/15/41/13/1018154113.db2.gz HJQBZEUAPXHNJA-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO O=C(NCCN1CCC([NH2+]CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001501257713 1018991197 /nfs/dbraw/zinc/99/11/97/1018991197.db2.gz AYSKBFXFWXVMRO-HUUCEWRRSA-N 1 0 324.425 0.622 20 5 DCBDRO COC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090525242 185300320 /nfs/dbraw/zinc/30/03/20/185300320.db2.gz CQNRBNXOIVDSFJ-NSHDSACASA-N 1 0 309.322 0.642 20 5 DCBDRO CNC(=O)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090548736 185302309 /nfs/dbraw/zinc/30/23/09/185302309.db2.gz GJBLDCNMWKEOCZ-NSHDSACASA-N 1 0 308.338 0.215 20 5 DCBDRO C[C@@H]1C[N@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789399 232070410 /nfs/dbraw/zinc/07/04/10/232070410.db2.gz BFKLTQVDTZPDEB-CHWSQXEVSA-N 1 0 309.366 0.970 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000177096708 198665387 /nfs/dbraw/zinc/66/53/87/198665387.db2.gz QSJOCCXFAGIQRX-MNOVXSKESA-N 1 0 307.354 0.923 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264571240 283322501 /nfs/dbraw/zinc/32/25/01/283322501.db2.gz SIIVQHDUKVXGRS-ZDUSSCGKSA-N 1 0 320.349 0.664 20 5 DCBDRO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180421708 199156754 /nfs/dbraw/zinc/15/67/54/199156754.db2.gz KMESMWMDJKMMJG-JTQLQIEISA-N 1 0 309.322 0.925 20 5 DCBDRO C[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C(N)=O)C1 ZINC000187407676 237346664 /nfs/dbraw/zinc/34/66/64/237346664.db2.gz KTOIXBTUWIMWIP-PWSUYJOCSA-N 1 0 308.338 0.342 20 5 DCBDRO O=C(CC[NH2+]C1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320274508 291257356 /nfs/dbraw/zinc/25/73/56/291257356.db2.gz UTESVISINRVASM-UHFFFAOYSA-N 1 0 319.365 0.781 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000566101655 291269233 /nfs/dbraw/zinc/26/92/33/291269233.db2.gz HFQBWAJSZNYCAN-NSHDSACASA-N 1 0 309.370 0.994 20 5 DCBDRO O=C(CC[NH2+]CCn1cncn1)Nc1ccccc1[N+](=O)[O-] ZINC000566110441 291270773 /nfs/dbraw/zinc/27/07/73/291270773.db2.gz IVYMXFBEHSHZNI-UHFFFAOYSA-N 1 0 304.310 0.805 20 5 DCBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000566215952 291283618 /nfs/dbraw/zinc/28/36/18/291283618.db2.gz FSBTVVCAWNRRMB-VIFPVBQESA-N 1 0 314.367 0.738 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415659286 239615606 /nfs/dbraw/zinc/61/56/06/239615606.db2.gz VZMDCLUSRQSCHA-NXEZZACHSA-N 1 0 306.322 0.919 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496169 291308607 /nfs/dbraw/zinc/30/86/07/291308607.db2.gz PFBAHRYNBOLLFD-NWDGAFQWSA-N 1 0 320.349 0.217 20 5 DCBDRO Cc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000566491790 291307714 /nfs/dbraw/zinc/30/77/14/291307714.db2.gz ZCCCEACUDUYBIT-OLZOCXBDSA-N 1 0 304.350 0.647 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000567250679 291345322 /nfs/dbraw/zinc/34/53/22/291345322.db2.gz RYGNXIAEYOIEBR-UHFFFAOYSA-N 1 0 310.310 0.349 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000489314104 241092239 /nfs/dbraw/zinc/09/22/39/241092239.db2.gz OBPJJVSMJGDPPC-LBPRGKRZSA-N 1 0 309.370 0.898 20 5 DCBDRO CN1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569332511 291473464 /nfs/dbraw/zinc/47/34/64/291473464.db2.gz UFHVQLRRRLUNHH-RYUDHWBXSA-N 1 0 323.349 0.545 20 5 DCBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1O ZINC000569352596 291475397 /nfs/dbraw/zinc/47/53/97/291475397.db2.gz WKKKCVQSDBZKHB-LBPRGKRZSA-N 1 0 322.321 0.656 20 5 DCBDRO C[C@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000572346649 291562824 /nfs/dbraw/zinc/56/28/24/291562824.db2.gz JUZKMXPNCHDKPL-NSHDSACASA-N 1 0 308.338 0.977 20 5 DCBDRO COc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000020016513 182178385 /nfs/dbraw/zinc/17/83/85/182178385.db2.gz JKFXWNHTSWPILM-UHFFFAOYSA-N 1 0 315.351 0.634 20 5 DCBDRO COc1ccc(NC(=O)C[NH2+]C(C)(C)CC(N)=O)c([N+](=O)[O-])c1 ZINC000273528818 210845772 /nfs/dbraw/zinc/84/57/72/210845772.db2.gz RDAVJZWDBRYMSM-UHFFFAOYSA-N 1 0 324.337 0.786 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000063170831 184275745 /nfs/dbraw/zinc/27/57/45/184275745.db2.gz BJNQZOUASAUYDB-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO [NH3+][C@@H]1CCc2nc(NC(=O)Cn3cnc([N+](=O)[O-])n3)sc2C1 ZINC000343429636 253653104 /nfs/dbraw/zinc/65/31/04/253653104.db2.gz CSOVTXHFQSPYQF-ZCFIWIBFSA-N 1 0 323.338 0.098 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000347515227 254163702 /nfs/dbraw/zinc/16/37/02/254163702.db2.gz KITMVKZXHMCPSA-UHFFFAOYSA-N 1 0 307.354 0.933 20 5 DCBDRO C[C@H](C(=O)N(C)C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122271917 132162689 /nfs/dbraw/zinc/16/26/89/132162689.db2.gz VEKSLDJBAPNRKO-MNOVXSKESA-N 1 0 307.354 0.953 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322349 395718688 /nfs/dbraw/zinc/71/86/88/395718688.db2.gz ZJSPTGFDLTWBDO-PHIMTYICSA-N 1 0 311.363 0.743 20 5 DCBDRO CNS(=O)(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000037714758 395728473 /nfs/dbraw/zinc/72/84/73/395728473.db2.gz XGRXOTXAAJVJJK-UHFFFAOYSA-N 1 0 302.356 0.654 20 5 DCBDRO CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1[NH+](C)C ZINC000270743201 395803257 /nfs/dbraw/zinc/80/32/57/395803257.db2.gz AMSLDXANUPJEQV-GHMZBOCLSA-N 1 0 313.383 0.295 20 5 DCBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000111304201 395806672 /nfs/dbraw/zinc/80/66/72/395806672.db2.gz WCLZXXMYNNFDKR-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO CN1CCN(C)[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000225346812 395859097 /nfs/dbraw/zinc/85/90/97/395859097.db2.gz DUGLEDYNIZZPJU-VIFPVBQESA-N 1 0 310.383 0.962 20 5 DCBDRO NC(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000270677963 395796286 /nfs/dbraw/zinc/79/62/86/395796286.db2.gz MHTNRJHRYIFIQV-JQWIXIFHSA-N 1 0 324.337 0.077 20 5 DCBDRO CC[N@H+](C)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000272543609 395897940 /nfs/dbraw/zinc/89/79/40/395897940.db2.gz QGFOKIMPNFOHDJ-UHFFFAOYSA-N 1 0 302.356 0.606 20 5 DCBDRO COc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237130802 395903566 /nfs/dbraw/zinc/90/35/66/395903566.db2.gz NQFRNTBWAMNELA-UHFFFAOYSA-N 1 0 308.338 0.238 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H](C)C[NH3+] ZINC000237190382 395905765 /nfs/dbraw/zinc/90/57/65/395905765.db2.gz BGROKYBDBPIAPG-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000055194010 395913860 /nfs/dbraw/zinc/91/38/60/395913860.db2.gz RFNOHHIWPLDIDE-UHFFFAOYSA-N 1 0 321.381 0.666 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(N)=O ZINC000052831015 395871093 /nfs/dbraw/zinc/87/10/93/395871093.db2.gz WWBJSHRAVGNXBV-UHFFFAOYSA-N 1 0 310.310 0.349 20 5 DCBDRO COC(C[N@H+](CCCO)CCn1cc([N+](=O)[O-])cn1)OC ZINC000273602427 395932790 /nfs/dbraw/zinc/93/27/90/395932790.db2.gz LNCLBPSCKKROSW-UHFFFAOYSA-N 1 0 302.331 0.095 20 5 DCBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000157424358 396063164 /nfs/dbraw/zinc/06/31/64/396063164.db2.gz MZJXBKOSUZAQQR-RISCZKNCSA-N 1 0 307.350 0.973 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000171127588 396108235 /nfs/dbraw/zinc/10/82/35/396108235.db2.gz AIUDAAJXDGKYPF-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO CO[C@@H](C[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000278211897 396112676 /nfs/dbraw/zinc/11/26/76/396112676.db2.gz PAMHSKULVQZCPT-CQSZACIVSA-N 1 0 322.365 0.607 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175840021 396143087 /nfs/dbraw/zinc/14/30/87/396143087.db2.gz CJJDUBMQUPYIMJ-UHFFFAOYSA-N 1 0 323.353 0.115 20 5 DCBDRO COc1cc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c([N+](=O)[O-])cc1O ZINC000278576044 396132587 /nfs/dbraw/zinc/13/25/87/396132587.db2.gz FGNJNXMAMYZIOE-LKFCYVNXSA-N 1 0 312.322 0.939 20 5 DCBDRO COc1ccc(NC(=O)CN2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261909211 396078246 /nfs/dbraw/zinc/07/82/46/396078246.db2.gz XVJLFJSLFJCGKC-JTQLQIEISA-N 1 0 308.338 0.836 20 5 DCBDRO COC[C@@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262552900 396154933 /nfs/dbraw/zinc/15/49/33/396154933.db2.gz STNQWZSUAYGOEI-AWEZNQCLSA-N 1 0 308.338 0.874 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262561408 396155656 /nfs/dbraw/zinc/15/56/56/396155656.db2.gz VODBJWNXBHNWOA-YPMHNXCESA-N 1 0 304.350 0.878 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000183993328 396279892 /nfs/dbraw/zinc/27/98/92/396279892.db2.gz NFNZOOGIYAINIA-UHFFFAOYSA-N 1 0 310.354 0.529 20 5 DCBDRO CN1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000178923013 396214328 /nfs/dbraw/zinc/21/43/28/396214328.db2.gz JFCIZKUJUMJZBI-UHFFFAOYSA-N 1 0 313.379 0.715 20 5 DCBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)N1 ZINC000283152881 396312507 /nfs/dbraw/zinc/31/25/07/396312507.db2.gz ONTRKUQJQZIHPH-UHFFFAOYSA-N 1 0 322.296 0.908 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186548421 396352777 /nfs/dbraw/zinc/35/27/77/396352777.db2.gz TZJCXHZYTLHITB-STQMWFEESA-N 1 0 323.349 0.659 20 5 DCBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000268718254 396369169 /nfs/dbraw/zinc/36/91/69/396369169.db2.gz YMBADFGUWSWWAS-UHFFFAOYSA-N 1 0 324.337 0.272 20 5 DCBDRO CC[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269050509 396382910 /nfs/dbraw/zinc/38/29/10/396382910.db2.gz BUVUZKXJZACVJB-ZDUSSCGKSA-N 1 0 320.349 0.617 20 5 DCBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269661003 396434010 /nfs/dbraw/zinc/43/40/10/396434010.db2.gz WKRZBQHOCPRIOZ-LBPRGKRZSA-N 1 0 322.365 0.747 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371452099 396467049 /nfs/dbraw/zinc/46/70/49/396467049.db2.gz QAVUVQDEEOZPRZ-VXGBXAGGSA-N 1 0 307.354 0.924 20 5 DCBDRO Cc1cnc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000594576875 396487960 /nfs/dbraw/zinc/48/79/60/396487960.db2.gz DCYNNDNEKPLHOP-CQSZACIVSA-N 1 0 319.365 0.996 20 5 DCBDRO C[C@H](C[S@](C)=O)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580184384 396491669 /nfs/dbraw/zinc/49/16/69/396491669.db2.gz XUSZTSKQSOPIPQ-XYQMPLONSA-N 1 0 316.379 0.691 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000595228800 396566533 /nfs/dbraw/zinc/56/65/33/396566533.db2.gz MLTLDYCIMVFAKZ-SKDRFNHKSA-N 1 0 309.370 0.994 20 5 DCBDRO NC(=O)[C@@]1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000582428280 396609844 /nfs/dbraw/zinc/60/98/44/396609844.db2.gz GUQOKOYYYPVKCG-CQSZACIVSA-N 1 0 322.321 0.157 20 5 DCBDRO O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563096676 396702682 /nfs/dbraw/zinc/70/26/82/396702682.db2.gz FGEOETPOCWMYFK-IUODEOHRSA-N 1 0 319.365 0.954 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595992480 396704636 /nfs/dbraw/zinc/70/46/36/396704636.db2.gz RZYHUFUEQPZEPX-HNNXBMFYSA-N 1 0 320.349 0.501 20 5 DCBDRO CO[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000596065823 396713265 /nfs/dbraw/zinc/71/32/65/396713265.db2.gz UZGPOVDNNRTDOO-KGLIPLIRSA-N 1 0 312.370 0.947 20 5 DCBDRO CC(C)(O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596104448 396717474 /nfs/dbraw/zinc/71/74/74/396717474.db2.gz LBVJSMFMVCGKOS-UHFFFAOYSA-N 1 0 322.365 0.587 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596099727 396717832 /nfs/dbraw/zinc/71/78/32/396717832.db2.gz WFSMBRKGCFCCGO-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000563431924 396732921 /nfs/dbraw/zinc/73/29/21/396732921.db2.gz OGNZRPBHPWMMBU-KOLCDFICSA-N 1 0 306.322 0.352 20 5 DCBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000600313720 396796156 /nfs/dbraw/zinc/79/61/56/396796156.db2.gz JMIUPUQYAIMOER-GFCCVEGCSA-N 1 0 322.365 0.605 20 5 DCBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000600313722 396796475 /nfs/dbraw/zinc/79/64/75/396796475.db2.gz JMIUPUQYAIMOER-LBPRGKRZSA-N 1 0 322.365 0.605 20 5 DCBDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590661075 396819962 /nfs/dbraw/zinc/81/99/62/396819962.db2.gz IGFZGMZTUTXKKW-SECBINFHSA-N 1 0 309.322 0.980 20 5 DCBDRO COc1cccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600533086 396884785 /nfs/dbraw/zinc/88/47/85/396884785.db2.gz JQZADMLAZBWYBL-SNVBAGLBSA-N 1 0 309.322 0.400 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1C[NH2+]CCO1)OCCO2 ZINC000591284792 396893598 /nfs/dbraw/zinc/89/35/98/396893598.db2.gz KOSNNFCWOYEDMT-NSHDSACASA-N 1 0 309.322 0.444 20 5 DCBDRO COC1CC[NH+](CCNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000611599947 396894736 /nfs/dbraw/zinc/89/47/36/396894736.db2.gz ULTNGSOPIZZGDA-UHFFFAOYSA-N 1 0 323.353 0.644 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591304629 396898036 /nfs/dbraw/zinc/89/80/36/396898036.db2.gz LOVCJNKDTXCIMF-GWCFXTLKSA-N 1 0 318.333 0.744 20 5 DCBDRO O=C(NCCCN1CC[NH2+]CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000591348223 396903840 /nfs/dbraw/zinc/90/38/40/396903840.db2.gz FPJNRLCMIHGECC-UHFFFAOYSA-N 1 0 321.381 0.689 20 5 DCBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCOCC[NH3+] ZINC000600733188 396932231 /nfs/dbraw/zinc/93/22/31/396932231.db2.gz HSQRKJHTQJUIBG-NSHDSACASA-N 1 0 310.354 0.829 20 5 DCBDRO COCCC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000591752799 396997344 /nfs/dbraw/zinc/99/73/44/396997344.db2.gz BPHXHWRMLHELRN-ZDUSSCGKSA-N 1 0 312.370 0.949 20 5 DCBDRO Cn1ccc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000591760071 396998923 /nfs/dbraw/zinc/99/89/23/396998923.db2.gz CDNHWUUPVCTDAB-ZDUSSCGKSA-N 1 0 320.349 0.900 20 5 DCBDRO C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597653484 397045029 /nfs/dbraw/zinc/04/50/29/397045029.db2.gz JPBSDNCBOYGKCU-VHSXEESVSA-N 1 0 313.329 0.876 20 5 DCBDRO COc1ccc(NC(=O)[C@H](C)N2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC000601326423 397057318 /nfs/dbraw/zinc/05/73/18/397057318.db2.gz DXPFTBKRRNIAJQ-DCAQKATOSA-N 1 0 320.349 0.977 20 5 DCBDRO O=C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601328869 397059113 /nfs/dbraw/zinc/05/91/13/397059113.db2.gz BCOUQJFFOAHZTO-BETUJISGSA-N 1 0 316.361 0.920 20 5 DCBDRO C[C@H]1C[C@@H]([NH3+])CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601330529 397060563 /nfs/dbraw/zinc/06/05/63/397060563.db2.gz UQCMBKJGGQLCAA-CMPLNLGQSA-N 1 0 304.350 0.905 20 5 DCBDRO C[NH2+]CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000573224673 397148391 /nfs/dbraw/zinc/14/83/91/397148391.db2.gz KMPLQLKIBUVVRT-UHFFFAOYSA-N 1 0 322.369 0.431 20 5 DCBDRO COc1ccc(CC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000592342312 397156424 /nfs/dbraw/zinc/15/64/24/397156424.db2.gz XOHDCSSAPOXAKR-LBPRGKRZSA-N 1 0 323.349 0.641 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000592366775 397161200 /nfs/dbraw/zinc/16/12/00/397161200.db2.gz KWAWIIVXGRVLPF-QMMMGPOBSA-N 1 0 301.324 0.325 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000592376429 397163714 /nfs/dbraw/zinc/16/37/14/397163714.db2.gz LMXWZAHQGSCMBQ-BDAKNGLRSA-N 1 0 300.340 0.361 20 5 DCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000592442450 397180901 /nfs/dbraw/zinc/18/09/01/397180901.db2.gz PRQSEPNARLLZDO-MNOVXSKESA-N 1 0 322.365 0.496 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000592548076 397207484 /nfs/dbraw/zinc/20/74/84/397207484.db2.gz MILUYXINXJTNMT-ZDUSSCGKSA-N 1 0 321.333 0.880 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000592547592 397207940 /nfs/dbraw/zinc/20/79/40/397207940.db2.gz HNBQUEUCFSJJIW-QMMMGPOBSA-N 1 0 313.335 0.633 20 5 DCBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592562719 397215819 /nfs/dbraw/zinc/21/58/19/397215819.db2.gz KOKIYHNAHSAQAQ-PJXYFTJBSA-N 1 0 305.338 0.420 20 5 DCBDRO CC(C)[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[NH2+]1 ZINC000598569105 397249598 /nfs/dbraw/zinc/24/95/98/397249598.db2.gz AHKGAFCDMPIHEM-LBPRGKRZSA-N 1 0 308.338 0.213 20 5 DCBDRO C[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])[NH+](C)C ZINC000598586286 397250649 /nfs/dbraw/zinc/25/06/49/397250649.db2.gz DRLNNEXZZYNNCG-SNVBAGLBSA-N 1 0 310.358 0.583 20 5 DCBDRO [NH3+]C1(CNC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCC1 ZINC000598665213 397271352 /nfs/dbraw/zinc/27/13/52/397271352.db2.gz MPYYUJRIPUWPRQ-UHFFFAOYSA-N 1 0 321.337 0.714 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000574812906 397302268 /nfs/dbraw/zinc/30/22/68/397302268.db2.gz LMBVFPIYUDASBH-NXEZZACHSA-N 1 0 322.365 0.761 20 5 DCBDRO O=C(NCC1CC[NH2+]CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598917077 397307679 /nfs/dbraw/zinc/30/76/79/397307679.db2.gz UXQSLVCJNAXWRN-UHFFFAOYSA-N 1 0 306.322 0.649 20 5 DCBDRO CN(CCC[NH+](C)C)c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598607639 397257853 /nfs/dbraw/zinc/25/78/53/397257853.db2.gz BXSWROAQTDQAOR-UHFFFAOYSA-N 1 0 324.385 0.609 20 5 DCBDRO Cc1cc(S(=O)(=O)N(C)CCOCC[NH3+])ccc1[N+](=O)[O-] ZINC000599110603 397341175 /nfs/dbraw/zinc/34/11/75/397341175.db2.gz BXGTUPUKNSAUTG-UHFFFAOYSA-N 1 0 317.367 0.499 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577749861 397358109 /nfs/dbraw/zinc/35/81/09/397358109.db2.gz ZEUXOSCBQUQHRJ-QWHCGFSZSA-N 1 0 321.381 0.948 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(CCC[NH3+])nn1 ZINC000577363652 397326075 /nfs/dbraw/zinc/32/60/75/397326075.db2.gz CIQDBRQPTLADQH-UHFFFAOYSA-N 1 0 318.337 0.807 20 5 DCBDRO Nc1nc(N(Cc2cccc([N+](=O)[O-])c2)C2CC2)nc(N)[nH+]1 ZINC000599058744 397329338 /nfs/dbraw/zinc/32/93/38/397329338.db2.gz FSYLZWPUJZFQOB-UHFFFAOYSA-N 1 0 301.310 0.774 20 5 DCBDRO CNC(=O)CN1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602509213 397425504 /nfs/dbraw/zinc/42/55/04/397425504.db2.gz PJWLIXJBRHZRNV-UHFFFAOYSA-N 1 0 320.393 0.937 20 5 DCBDRO CN(CC(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000602551146 397438202 /nfs/dbraw/zinc/43/82/02/397438202.db2.gz NHPMNZJIEYRUMF-NSHDSACASA-N 1 0 308.338 0.136 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000602779390 397482634 /nfs/dbraw/zinc/48/26/34/397482634.db2.gz GAVGKXSXPNBXLB-AWEZNQCLSA-N 1 0 323.397 0.896 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN(CCO)Cc1cccnc1 ZINC000602789658 397486637 /nfs/dbraw/zinc/48/66/37/397486637.db2.gz XRIAYYUNWZWPKB-UHFFFAOYSA-N 1 0 305.338 0.989 20 5 DCBDRO [NH3+]CCCn1cc(C(=O)N2CCc3c2cccc3[N+](=O)[O-])nn1 ZINC000579462911 397570020 /nfs/dbraw/zinc/57/00/20/397570020.db2.gz KRHRAYACDDVVHF-UHFFFAOYSA-N 1 0 316.321 0.738 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)CC[NH3+] ZINC000599891806 397535698 /nfs/dbraw/zinc/53/56/98/397535698.db2.gz QDMFADPYORSMAN-UHFFFAOYSA-N 1 0 308.338 0.903 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000604552340 397643281 /nfs/dbraw/zinc/64/32/81/397643281.db2.gz JEBUPOBMZZIJDX-SNVBAGLBSA-N 1 0 309.370 0.946 20 5 DCBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000609624113 397787844 /nfs/dbraw/zinc/78/78/44/397787844.db2.gz ZPHHLNJFOVJJOJ-UHFFFAOYSA-N 1 0 309.370 0.680 20 5 DCBDRO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000064301211 158032172 /nfs/dbraw/zinc/03/21/72/158032172.db2.gz DUAXNNDSUTVJSU-LLVKDONJSA-N 1 0 310.358 0.425 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000087384293 158093413 /nfs/dbraw/zinc/09/34/13/158093413.db2.gz FZJNOJOKECKAFF-JTQLQIEISA-N 1 0 315.351 0.619 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000124931028 158249192 /nfs/dbraw/zinc/24/91/92/158249192.db2.gz YNXZQFYJXFZUSK-UHFFFAOYSA-N 1 0 312.395 0.976 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000262053876 158768418 /nfs/dbraw/zinc/76/84/18/158768418.db2.gz VEIUNQJFGJDGBT-CABZTGNLSA-N 1 0 309.370 0.994 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000316982162 159003831 /nfs/dbraw/zinc/00/38/31/159003831.db2.gz DCBZOQVEZFNNTD-ZKYQVNSYSA-N 1 0 305.334 0.896 20 5 DCBDRO CNc1c(C(=O)NCCOCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000318823295 159007082 /nfs/dbraw/zinc/00/70/82/159007082.db2.gz KHUZXVHBLIKNLW-UHFFFAOYSA-N 1 0 310.354 0.945 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367358529 159333327 /nfs/dbraw/zinc/33/33/27/159333327.db2.gz LPVHIPZEHUMZBD-UHFFFAOYSA-N 1 0 316.321 0.861 20 5 DCBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CC[NH2+]CC1 ZINC000237880548 287067810 /nfs/dbraw/zinc/06/78/10/287067810.db2.gz OMDRNCQQWXCENC-UHFFFAOYSA-N 1 0 302.290 0.482 20 5 DCBDRO Nc1c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000340834469 287149800 /nfs/dbraw/zinc/14/98/00/287149800.db2.gz WROGGGGTDOYOCD-NSHDSACASA-N 1 0 322.365 0.754 20 5 DCBDRO CC1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C[NH2+]C1 ZINC000399289924 287230565 /nfs/dbraw/zinc/23/05/65/287230565.db2.gz RJFCCIMVUJOKNM-UHFFFAOYSA-N 1 0 305.338 0.248 20 5 DCBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[NH2+]1 ZINC000420342161 287292720 /nfs/dbraw/zinc/29/27/20/287292720.db2.gz WUOZJVQNERQQPO-BXUZGUMPSA-N 1 0 304.350 0.994 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146263 415165902 /nfs/dbraw/zinc/16/59/02/415165902.db2.gz FDDQZUNDVIHAED-ZWNOBZJWSA-N 1 0 320.349 0.355 20 5 DCBDRO C[NH2+][C@H](C)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420445126 287298495 /nfs/dbraw/zinc/29/84/95/287298495.db2.gz ZXNWZZINBXVACO-SNVBAGLBSA-N 1 0 301.368 0.665 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000332115245 415256026 /nfs/dbraw/zinc/25/60/26/415256026.db2.gz HECNQHFWDYPVGV-UHFFFAOYSA-N 1 0 322.369 0.663 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(Cc3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000332138767 415265951 /nfs/dbraw/zinc/26/59/51/415265951.db2.gz LVKVMMBFFFLAKG-ZDUSSCGKSA-N 1 0 322.413 0.540 20 5 DCBDRO COc1ccc(OCC[N@H+](C)[C@@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352792128 415319871 /nfs/dbraw/zinc/31/98/71/415319871.db2.gz KRNSERRIQRRCBP-OLZOCXBDSA-N 1 0 312.322 0.674 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@@H]1O ZINC000352816217 415333267 /nfs/dbraw/zinc/33/32/67/415333267.db2.gz NIGFHOYABAIRKR-STQMWFEESA-N 1 0 309.322 0.615 20 5 DCBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000280823583 415544600 /nfs/dbraw/zinc/54/46/00/415544600.db2.gz YJAFWVBYEPYEKT-LLVKDONJSA-N 1 0 324.385 0.871 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353810867 415668212 /nfs/dbraw/zinc/66/82/12/415668212.db2.gz LUGWUQFYYNEHBD-LLVKDONJSA-N 1 0 307.354 0.790 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000290177756 415772252 /nfs/dbraw/zinc/77/22/52/415772252.db2.gz PIMPQNNZONOIFI-ZJUUUORDSA-N 1 0 307.354 0.952 20 5 DCBDRO C[C@]1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO[C@@H]1C1CC1 ZINC000344333142 415890364 /nfs/dbraw/zinc/89/03/64/415890364.db2.gz FNRAHZYLQHYHKS-MCIONIFRSA-N 1 0 310.354 0.699 20 5 DCBDRO Cc1nn(C)c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301278093 416080156 /nfs/dbraw/zinc/08/01/56/416080156.db2.gz LJNKHMUCHIEWTQ-NSHDSACASA-N 1 0 324.385 0.636 20 5 DCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000301183315 416077842 /nfs/dbraw/zinc/07/78/42/416077842.db2.gz OCXBUBUZERMKHA-NSHDSACASA-N 1 0 307.354 0.989 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000357031495 416023542 /nfs/dbraw/zinc/02/35/42/416023542.db2.gz CNBFUVRFKFQUGS-LLVKDONJSA-N 1 0 307.354 0.886 20 5 DCBDRO Cc1nn(C)c(N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301516437 416085330 /nfs/dbraw/zinc/08/53/30/416085330.db2.gz BXLSWVQLCWZCBY-GFCCVEGCSA-N 1 0 309.370 0.795 20 5 DCBDRO O=C(NC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000176208931 416120367 /nfs/dbraw/zinc/12/03/67/416120367.db2.gz WMSWAFKHWHQYQW-UHFFFAOYSA-N 1 0 307.354 0.782 20 5 DCBDRO COc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358072455 416188059 /nfs/dbraw/zinc/18/80/59/416188059.db2.gz ZNJDGJKDZLNTCL-CQSZACIVSA-N 1 0 309.322 0.400 20 5 DCBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH3+])C1 ZINC000358133503 416199501 /nfs/dbraw/zinc/19/95/01/416199501.db2.gz YSVXTFQAXDPLOZ-ZWNOBZJWSA-N 1 0 308.338 0.581 20 5 DCBDRO C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CC(C)(C)O ZINC000189904854 416272567 /nfs/dbraw/zinc/27/25/67/416272567.db2.gz LDDYEPRHQOVEST-GFCCVEGCSA-N 1 0 311.386 0.568 20 5 DCBDRO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C[NH3+])C1 ZINC000359204474 416313111 /nfs/dbraw/zinc/31/31/11/416313111.db2.gz DOKSCWYCQRZFCT-ZYHUDNBSSA-N 1 0 308.338 0.877 20 5 DCBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000331272425 416298965 /nfs/dbraw/zinc/29/89/65/416298965.db2.gz GVRQQCWGXHPAQG-JTQLQIEISA-N 1 0 310.354 0.840 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000415409427 416341874 /nfs/dbraw/zinc/34/18/74/416341874.db2.gz DHKQXJURLYADJI-VIFPVBQESA-N 1 0 322.321 0.362 20 5 DCBDRO CCc1n[nH]c(C(=O)NCC2(O)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000359367821 416344010 /nfs/dbraw/zinc/34/40/10/416344010.db2.gz XUZIHINDXWXTPO-UHFFFAOYSA-N 1 0 311.342 0.067 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415509265 416345661 /nfs/dbraw/zinc/34/56/61/416345661.db2.gz HJLRBXBHOSSTNX-VIFPVBQESA-N 1 0 308.338 0.807 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415510182 416345896 /nfs/dbraw/zinc/34/58/96/416345896.db2.gz JMDCCHAXKQGGIK-VIFPVBQESA-N 1 0 324.337 0.643 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000415850610 416355910 /nfs/dbraw/zinc/35/59/10/416355910.db2.gz XMPFEWMKKBCKQW-RDDDGLTNSA-N 1 0 310.285 0.478 20 5 DCBDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237899068 416329071 /nfs/dbraw/zinc/32/90/71/416329071.db2.gz DLZARSPFDMBQNP-AWEZNQCLSA-N 1 0 322.365 0.892 20 5 DCBDRO CCn1cc(S(=O)(=O)NC(C)(C)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000416509419 416372855 /nfs/dbraw/zinc/37/28/55/416372855.db2.gz RJFCMZWECUQGHF-UHFFFAOYSA-N 1 0 319.387 0.430 20 5 DCBDRO CC(C)([NH3+])CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419038256 416396132 /nfs/dbraw/zinc/39/61/32/416396132.db2.gz JLFSFPPAUGICDX-UHFFFAOYSA-N 1 0 308.338 0.107 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000423094218 416464255 /nfs/dbraw/zinc/46/42/55/416464255.db2.gz BDXGYWJYPXEFAJ-PWSUYJOCSA-N 1 0 320.349 0.359 20 5 DCBDRO C[C@H]1C[NH+](CCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000590570594 416527388 /nfs/dbraw/zinc/52/73/88/416527388.db2.gz XQFFIXQWFQOWNL-QWRGUYRKSA-N 1 0 309.370 1.483 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@@H]2c2ccco2)c1 ZINC000361944074 416528970 /nfs/dbraw/zinc/52/89/70/416528970.db2.gz OBXOKDYBDMGPAM-QWHCGFSZSA-N 1 0 322.321 0.819 20 5 DCBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423723547 416549723 /nfs/dbraw/zinc/54/97/23/416549723.db2.gz LQZCAWQSBPPPTJ-YGRLFVJLSA-N 1 0 301.306 1.409 20 5 DCBDRO CN1CCNC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423502707 416517840 /nfs/dbraw/zinc/51/78/40/416517840.db2.gz FGVQDTPVOCYKER-RDBSUJKOSA-N 1 0 322.413 0.768 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000597532886 416595829 /nfs/dbraw/zinc/59/58/29/416595829.db2.gz NNLDFXBNBNQKCG-GHMZBOCLSA-N 1 0 307.354 1.244 20 5 DCBDRO Nc1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)nc1[N+](=O)[O-] ZINC000596130863 416577216 /nfs/dbraw/zinc/57/72/16/416577216.db2.gz ZUJIZMRJWNHWAS-LLVKDONJSA-N 1 0 321.381 1.485 20 5 DCBDRO C[NH+](C)C1(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCOCC1 ZINC000547731957 416680455 /nfs/dbraw/zinc/68/04/55/416680455.db2.gz LTILSQRCFQYAHM-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000440357904 416632343 /nfs/dbraw/zinc/63/23/43/416632343.db2.gz OCNASTOLAZCKSI-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@H]2C)c([N+](=O)[O-])n1 ZINC000440816907 416649884 /nfs/dbraw/zinc/64/98/84/416649884.db2.gz AZQMBRBTFXWVGE-IUCAKERBSA-N 1 0 317.371 0.230 20 5 DCBDRO Nc1nc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489095 416658246 /nfs/dbraw/zinc/65/82/46/416658246.db2.gz APXIYJSXEIPFDH-LLVKDONJSA-N 1 0 322.369 0.658 20 5 DCBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000514725911 416672745 /nfs/dbraw/zinc/67/27/45/416672745.db2.gz GRCQAUHDTLKHGK-SECBINFHSA-N 1 0 300.340 0.348 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000370057143 416875299 /nfs/dbraw/zinc/87/52/99/416875299.db2.gz UQOFFHIURWNFIU-UHFFFAOYSA-N 1 0 302.334 0.948 20 5 DCBDRO CNc1nccc(C(=O)NCCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000564098787 416890390 /nfs/dbraw/zinc/89/03/90/416890390.db2.gz ZPPAIUVRSHGCMB-UHFFFAOYSA-N 1 0 321.381 1.493 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+](C)C ZINC000428983379 416939092 /nfs/dbraw/zinc/93/90/92/416939092.db2.gz VHUGCFPHBKKLCT-JTQLQIEISA-N 1 0 312.374 0.505 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000565951792 417035347 /nfs/dbraw/zinc/03/53/47/417035347.db2.gz JGTZGXXIMIYJRA-UHFFFAOYSA-N 1 0 303.322 0.875 20 5 DCBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000522000335 417041758 /nfs/dbraw/zinc/04/17/58/417041758.db2.gz ORJRQVRCXNEVTH-GWCFXTLKSA-N 1 0 323.353 0.676 20 5 DCBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430627568 287348018 /nfs/dbraw/zinc/34/80/18/287348018.db2.gz MHYCQHOIUXTHOW-VHSXEESVSA-N 1 0 308.338 0.963 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449601967 417155296 /nfs/dbraw/zinc/15/52/96/417155296.db2.gz NWRLOVOIHMHMCB-IUCAKERBSA-N 1 0 309.322 0.760 20 5 DCBDRO C[NH+](C)CCN(Cc1ccccn1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000433430526 417270418 /nfs/dbraw/zinc/27/04/18/417270418.db2.gz KZYAWBBIOCUBDQ-UHFFFAOYSA-N 1 0 317.353 0.930 20 5 DCBDRO [NH3+]C[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000569604383 417273470 /nfs/dbraw/zinc/27/34/70/417273470.db2.gz RORVCNAVPQVGRN-SECBINFHSA-N 1 0 300.340 0.349 20 5 DCBDRO Cc1nc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450468415 417232315 /nfs/dbraw/zinc/23/23/15/417232315.db2.gz GCCNGFYSFCKXNX-JTQLQIEISA-N 1 0 309.370 0.975 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415273714 417352551 /nfs/dbraw/zinc/35/25/51/417352551.db2.gz SGTVEXXBNANKLW-SNVBAGLBSA-N 1 0 306.322 0.791 20 5 DCBDRO COC(=O)COc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414870404 417309073 /nfs/dbraw/zinc/30/90/73/417309073.db2.gz SMZBMNXCMLZOIS-GFCCVEGCSA-N 1 0 323.349 0.988 20 5 DCBDRO Cn1cc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000570794208 417391697 /nfs/dbraw/zinc/39/16/97/417391697.db2.gz AFIHUDWHNWLFMZ-CQSZACIVSA-N 1 0 320.349 0.900 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451632745 417370279 /nfs/dbraw/zinc/37/02/79/417370279.db2.gz KPHFVDGFILFPCP-PHIMTYICSA-N 1 0 305.290 0.308 20 5 DCBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000415349512 417370283 /nfs/dbraw/zinc/37/02/83/417370283.db2.gz XPWYKPMGZXEQNN-SECBINFHSA-N 1 0 306.322 0.662 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000415362070 417373747 /nfs/dbraw/zinc/37/37/47/417373747.db2.gz AJNOZEWXDCDLNK-UHFFFAOYSA-N 1 0 324.337 0.658 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000452386006 417480555 /nfs/dbraw/zinc/48/05/55/417480555.db2.gz WIDANPFJALUEPL-SNVBAGLBSA-N 1 0 323.353 0.149 20 5 DCBDRO C[C@@H]1C[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000575923002 417563617 /nfs/dbraw/zinc/56/36/17/417563617.db2.gz SDGVQNBNDPZGOZ-RKDXNWHRSA-N 1 0 300.340 0.409 20 5 DCBDRO CC(C)[N@H+](C)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000457117808 417691042 /nfs/dbraw/zinc/69/10/42/417691042.db2.gz FYBLIENGNSFRJA-UHFFFAOYSA-N 1 0 321.381 0.979 20 5 DCBDRO CNc1nccc(C(=O)N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000577505781 417677818 /nfs/dbraw/zinc/67/78/18/417677818.db2.gz MLEUFOYHOXXTAZ-UHFFFAOYSA-N 1 0 321.381 1.445 20 5 DCBDRO Cc1nc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000226386275 261153111 /nfs/dbraw/zinc/15/31/11/261153111.db2.gz LTSHEDPQCBDQFN-LBPRGKRZSA-N 1 0 311.367 0.749 20 5 DCBDRO COc1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000313348316 261174425 /nfs/dbraw/zinc/17/44/25/261174425.db2.gz LCBDGOABRLWZOZ-NSHDSACASA-N 1 0 309.322 0.793 20 5 DCBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000354556326 261236577 /nfs/dbraw/zinc/23/65/77/261236577.db2.gz UIAFTTDZKCGPAF-LBPRGKRZSA-N 1 0 324.385 0.965 20 5 DCBDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000354681035 261257630 /nfs/dbraw/zinc/25/76/30/261257630.db2.gz ZJHDCENUXRLPGQ-ZDUSSCGKSA-N 1 0 320.349 0.469 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000357714372 261575624 /nfs/dbraw/zinc/57/56/24/261575624.db2.gz GYVMQOUGMUEUHT-IUCAKERBSA-N 1 0 317.392 0.886 20 5 DCBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C[C@H](C)[N@H+]1CCO ZINC000412381080 262187496 /nfs/dbraw/zinc/18/74/96/262187496.db2.gz SNQFUEMFXKNCHH-AOOOYVTPSA-N 1 0 324.337 0.223 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417170382 262247250 /nfs/dbraw/zinc/24/72/50/262247250.db2.gz CQLLAMUVAQPYCK-TXEJJXNPSA-N 1 0 320.349 0.964 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000417762092 262261373 /nfs/dbraw/zinc/26/13/73/262261373.db2.gz IEKSPFDMJGCWED-CYBMUJFWSA-N 1 0 322.365 0.815 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417913669 262264895 /nfs/dbraw/zinc/26/48/95/262264895.db2.gz QHBZNNYFHOHLMB-ZYHUDNBSSA-N 1 0 310.358 0.703 20 5 DCBDRO C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418773372 262288622 /nfs/dbraw/zinc/28/86/22/262288622.db2.gz CDFJHWZEXBGZCC-VIFPVBQESA-N 1 0 308.338 0.626 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418774184 262288655 /nfs/dbraw/zinc/28/86/55/262288655.db2.gz CXPNUQTXAYGWTE-MNOVXSKESA-N 1 0 320.349 0.592 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418923462 262298730 /nfs/dbraw/zinc/29/87/30/262298730.db2.gz MSTQQWLFTYIKHW-ZDUSSCGKSA-N 1 0 320.349 0.203 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419133665 262312563 /nfs/dbraw/zinc/31/25/63/262312563.db2.gz GGLNLVWJCXEZGV-ZJUUUORDSA-N 1 0 308.338 0.578 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419157782 262314699 /nfs/dbraw/zinc/31/46/99/262314699.db2.gz WQRJHCUMWWXERM-PWSUYJOCSA-N 1 0 322.365 0.872 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000420402435 262373922 /nfs/dbraw/zinc/37/39/22/262373922.db2.gz IVKPIZDAORUTQD-GFCCVEGCSA-N 1 0 313.379 0.809 20 5 DCBDRO CCn1cc(S(=O)(=O)NC(C)(C)CC[NH3+])c([N+](=O)[O-])n1 ZINC000422558697 262418174 /nfs/dbraw/zinc/41/81/74/262418174.db2.gz ZKHJQPQBCSNLJB-UHFFFAOYSA-N 1 0 305.360 0.217 20 5 DCBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc([N+](=O)[O-])c1C ZINC000423728018 262457247 /nfs/dbraw/zinc/45/72/47/262457247.db2.gz VQYIVIQTVDLDCR-LBPRGKRZSA-N 1 0 322.365 0.545 20 5 DCBDRO CO[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359230661 271107589 /nfs/dbraw/zinc/10/75/89/271107589.db2.gz YAJDDBMMRHUEJW-CHWSQXEVSA-N 1 0 323.349 0.938 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418736365 271253615 /nfs/dbraw/zinc/25/36/15/271253615.db2.gz UPGRUXANOCHMAL-NSHDSACASA-N 1 0 322.369 0.559 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420445796 271371833 /nfs/dbraw/zinc/37/18/33/271371833.db2.gz SQUQLBTXWQDDNW-ZJUUUORDSA-N 1 0 301.368 0.792 20 5 DCBDRO CCOC(=O)c1cc(C(=O)N2CC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000422757290 271382285 /nfs/dbraw/zinc/38/22/85/271382285.db2.gz HTQFSLBIWFYRSP-NSHDSACASA-N 1 0 307.306 0.945 20 5 DCBDRO CC(C)(CC[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424066957 271396829 /nfs/dbraw/zinc/39/68/29/271396829.db2.gz YZLIHTPZHQPZDF-UHFFFAOYSA-N 1 0 322.365 0.958 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000492561460 272135315 /nfs/dbraw/zinc/13/53/15/272135315.db2.gz KGSNVYBKOOIFJX-NFAHFFEMSA-N 1 0 305.334 0.791 20 5 DCBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000493248598 272177407 /nfs/dbraw/zinc/17/74/07/272177407.db2.gz FUEHCKKDWRUDHE-OOPLNXAUSA-N 1 0 303.318 0.807 20 5 DCBDRO COC(=O)NCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000496568444 272325585 /nfs/dbraw/zinc/32/55/85/272325585.db2.gz VEZALSXPPFWBAH-NSHDSACASA-N 1 0 313.310 0.280 20 5 DCBDRO C[NH2+]C1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])CC1 ZINC000095071555 273958152 /nfs/dbraw/zinc/95/81/52/273958152.db2.gz MVHVFTGTZQBYFJ-UHFFFAOYSA-N 1 0 300.340 0.362 20 5 DCBDRO CC(C)c1n[nH]c(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000269889588 276041373 /nfs/dbraw/zinc/04/13/73/276041373.db2.gz KCIJSMFLEKGJEV-CYBMUJFWSA-N 1 0 313.358 0.484 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237472678 278247217 /nfs/dbraw/zinc/24/72/17/278247217.db2.gz AOVQYXMLYBWUGR-VIFPVBQESA-N 1 0 304.310 0.595 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000261703383 279875204 /nfs/dbraw/zinc/87/52/04/279875204.db2.gz ISSZWAGCEOBQBR-CBAPKCEASA-N 1 0 303.315 0.702 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(=O)NCC[NH+](C)C ZINC000552081465 288264024 /nfs/dbraw/zinc/26/40/24/288264024.db2.gz JVVMWPSIIPGOJF-QMMMGPOBSA-N 1 0 314.367 0.452 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)CCc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000552436183 288275138 /nfs/dbraw/zinc/27/51/38/288275138.db2.gz QJIIFALPQAFDMP-KBPBESRZSA-N 1 0 307.350 0.661 20 5 DCBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1csc([N+](=O)[O-])c1 ZINC000556849965 288399779 /nfs/dbraw/zinc/39/97/79/288399779.db2.gz LVRNLOKXTMAQQQ-ZDUSSCGKSA-N 1 0 311.363 0.843 20 5 DCBDRO CCN1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000580064436 332923448 /nfs/dbraw/zinc/92/34/48/332923448.db2.gz CXHJKLMHYZFEOL-YPMHNXCESA-N 1 0 323.349 0.545 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000381446272 332656312 /nfs/dbraw/zinc/65/63/12/332656312.db2.gz GBMRFPLKSGNOAD-HTQZYQBOSA-N 1 0 303.340 0.617 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000582171492 335705956 /nfs/dbraw/zinc/70/59/56/335705956.db2.gz GTEGWZLNXZSFOG-SECBINFHSA-N 1 0 306.322 0.168 20 5 DCBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157645293 523624343 /nfs/dbraw/zinc/62/43/43/523624343.db2.gz KZUQQKCUUVURIY-MRVPVSSYSA-N 1 0 303.315 0.716 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+](C2CCCC2)CC1 ZINC000331380330 534758840 /nfs/dbraw/zinc/75/88/40/534758840.db2.gz FCLFLOZYFADUSR-UHFFFAOYSA-N 1 0 322.369 0.710 20 5 DCBDRO C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161587968 524988844 /nfs/dbraw/zinc/98/88/44/524988844.db2.gz AJTPHSGLVGFWPM-SNVBAGLBSA-N 1 0 306.322 0.226 20 5 DCBDRO Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000147509860 526267073 /nfs/dbraw/zinc/26/70/73/526267073.db2.gz HPKWJDMHNOEUHB-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000267337122 526713168 /nfs/dbraw/zinc/71/31/68/526713168.db2.gz HJWDNYXXTALTDT-NSHDSACASA-N 1 0 308.338 0.717 20 5 DCBDRO [NH3+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000237930875 527188014 /nfs/dbraw/zinc/18/80/14/527188014.db2.gz QJEOJEWGRFJPGT-MRVPVSSYSA-N 1 0 312.351 0.336 20 5 DCBDRO COCC[N@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821689155 606706996 /nfs/dbraw/zinc/70/69/96/606706996.db2.gz NHCNSCWWQSJBLV-UHFFFAOYSA-N 1 0 322.329 0.160 20 5 DCBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821240289 606731742 /nfs/dbraw/zinc/73/17/42/606731742.db2.gz FYOUBBLLEFINDW-LDYMZIIASA-N 1 0 318.341 0.922 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000891860863 657834651 /nfs/dbraw/zinc/83/46/51/657834651.db2.gz JJUPKLFIFHJEBT-UHFFFAOYSA-N 1 0 309.370 0.877 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933211075 658560813 /nfs/dbraw/zinc/56/08/13/658560813.db2.gz YTJJMRXCROQEEN-TZMCWYRMSA-N 1 0 310.354 0.653 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ncn1 ZINC001022063924 658815992 /nfs/dbraw/zinc/81/59/92/658815992.db2.gz PGDBZLRIMBCYOW-LYIQGSDWSA-N 1 0 305.338 0.187 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000725895551 659260250 /nfs/dbraw/zinc/26/02/50/659260250.db2.gz HACDOXUYLVYAGB-VHSXEESVSA-N 1 0 309.326 0.219 20 5 DCBDRO CC(C)(CCC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)[N+](=O)[O-] ZINC000889751737 662031889 /nfs/dbraw/zinc/03/18/89/662031889.db2.gz RYFGEPAKMUAIPO-STQMWFEESA-N 1 0 313.398 0.880 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896580775 662295298 /nfs/dbraw/zinc/29/52/98/662295298.db2.gz NJEXUALYNYZXST-FZMZJTMJSA-N 1 0 306.366 0.959 20 5 DCBDRO COc1ccc([C@@H](C[NH2+]CC[N+](=O)[O-])N2CCOCC2)cc1 ZINC000899860304 663194420 /nfs/dbraw/zinc/19/44/20/663194420.db2.gz QUWIPRGQDGPXKM-OAHLLOKOSA-N 1 0 309.366 0.935 20 5 DCBDRO Cc1nn(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c(C)c1[N+](=O)[O-] ZINC000902645715 663425746 /nfs/dbraw/zinc/42/57/46/663425746.db2.gz YGWKIYSEGOOQDL-KGLIPLIRSA-N 1 0 323.397 0.897 20 5 DCBDRO O=C(c1ccccc1)N1C[C@@H](C[NH2+]CC[N+](=O)[O-])N2CC[C@H]1C2 ZINC000905189256 663537261 /nfs/dbraw/zinc/53/72/61/663537261.db2.gz GZHGMVYPDYANFT-LSDHHAIUSA-N 1 0 318.377 0.452 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911657116 664099050 /nfs/dbraw/zinc/09/90/50/664099050.db2.gz SKQYCHYZTNRRCG-HZMBPMFUSA-N 1 0 318.333 0.908 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911657313 664099175 /nfs/dbraw/zinc/09/91/75/664099175.db2.gz SKQYCHYZTNRRCG-IINYFYTJSA-N 1 0 318.333 0.908 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+]C[C@H]2CCN2C)cc1[N+](=O)[O-] ZINC000922576922 666484330 /nfs/dbraw/zinc/48/43/30/666484330.db2.gz ZXODMJRZCKDETB-GFCCVEGCSA-N 1 0 323.349 0.940 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996439141 666785473 /nfs/dbraw/zinc/78/54/73/666785473.db2.gz CDJLZXNBAWCRFD-NXEZZACHSA-N 1 0 311.367 0.284 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000861512627 666937678 /nfs/dbraw/zinc/93/76/78/666937678.db2.gz NSZNLLVCRAVFDS-UHFFFAOYSA-N 1 0 312.301 0.788 20 5 DCBDRO CC1([NH+]2CCOCC2)CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000863314753 667126855 /nfs/dbraw/zinc/12/68/55/667126855.db2.gz WVCFRCSVMYFNND-UHFFFAOYSA-N 1 0 309.370 0.936 20 5 DCBDRO CCOC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000863574953 667159184 /nfs/dbraw/zinc/15/91/84/667159184.db2.gz DKBJOIHYKNJZBV-YPMHNXCESA-N 1 0 324.337 0.394 20 5 DCBDRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000863581327 667160003 /nfs/dbraw/zinc/16/00/03/667160003.db2.gz QIWFZWRUYGYAAA-OASPWFOLSA-N 1 0 314.363 0.793 20 5 DCBDRO Cc1nn(C)c(N2CCC([NH+]3CCN(C)CC3)CC2)c1[N+](=O)[O-] ZINC000866214179 667368670 /nfs/dbraw/zinc/36/86/70/667368670.db2.gz LMNSAKGBXCNJKH-UHFFFAOYSA-N 1 0 322.413 0.853 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887934868 667932785 /nfs/dbraw/zinc/93/27/85/667932785.db2.gz XYBQEXJDFRPHGB-DOMZBBRYSA-N 1 0 321.381 0.900 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000887934429 667933041 /nfs/dbraw/zinc/93/30/41/667933041.db2.gz IDDNZYHYCXVKSE-RISCZKNCSA-N 1 0 307.354 0.592 20 5 DCBDRO C[C@@H](CN1CCOCC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749674316 667960080 /nfs/dbraw/zinc/96/00/80/667960080.db2.gz HTAMQYGRMWWQRA-SWLSCSKDSA-N 1 0 309.366 0.939 20 5 DCBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839612507 668124444 /nfs/dbraw/zinc/12/44/44/668124444.db2.gz ARXZXSRFYMZDNJ-LXTVHRRPSA-N 1 0 324.425 0.669 20 5 DCBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839612501 668124539 /nfs/dbraw/zinc/12/45/39/668124539.db2.gz ARXZXSRFYMZDNJ-KBUPBQIOSA-N 1 0 324.425 0.669 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000874842406 668226418 /nfs/dbraw/zinc/22/64/18/668226418.db2.gz GUODPQODDJGOLR-STQMWFEESA-N 1 0 307.354 0.877 20 5 DCBDRO C[NH+](C)C[C@@H]1NC(=O)N(CCc2ccccc2[N+](=O)[O-])C1=O ZINC000924702879 668230901 /nfs/dbraw/zinc/23/09/01/668230901.db2.gz VNWQCAPWCDRPQT-NSHDSACASA-N 1 0 306.322 0.619 20 5 DCBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000764272263 668441833 /nfs/dbraw/zinc/44/18/33/668441833.db2.gz FCUXVZCSBFOOIL-NSHDSACASA-N 1 0 323.353 0.691 20 5 DCBDRO COC(=O)C[C@]1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000767033094 668556828 /nfs/dbraw/zinc/55/68/28/668556828.db2.gz SPFPUCYPWCUBFB-DZGCQCFKSA-N 1 0 324.333 0.940 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877169592 668570947 /nfs/dbraw/zinc/57/09/47/668570947.db2.gz DRTBFYQUFQHUEB-TXEJJXNPSA-N 1 0 315.333 0.907 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000934572509 669616621 /nfs/dbraw/zinc/61/66/21/669616621.db2.gz AXSHXDZDADUSHS-JOYOIKCWSA-N 1 0 307.354 0.699 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000716729901 670271423 /nfs/dbraw/zinc/27/14/23/670271423.db2.gz JOOWBAZUGYIWMJ-VIFPVBQESA-N 1 0 301.730 0.901 20 5 DCBDRO Cc1c([N+](=O)[O-])cc(S(=O)(=O)NCC[NH3+])c(C)c1[N+](=O)[O-] ZINC000842681659 670671416 /nfs/dbraw/zinc/67/14/16/670671416.db2.gz DZGJGSHEIAPAGJ-UHFFFAOYSA-N 1 0 318.311 0.357 20 5 DCBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000858640372 671025368 /nfs/dbraw/zinc/02/53/68/671025368.db2.gz PHLDSCBJHPADFW-JTQLQIEISA-N 1 0 301.368 0.746 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000818602979 671035032 /nfs/dbraw/zinc/03/50/32/671035032.db2.gz SYLOIAPDWIIJRK-QWRGUYRKSA-N 1 0 321.312 0.761 20 5 DCBDRO CCS(=O)(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819010723 671085452 /nfs/dbraw/zinc/08/54/52/671085452.db2.gz KHFPZIAVOHJFIB-LBPRGKRZSA-N 1 0 302.352 0.653 20 5 DCBDRO O=[N+]([O-])c1ccc(Cc2noc(C[C@H]3COCC[NH2+]3)n2)nc1 ZINC000822862100 671350400 /nfs/dbraw/zinc/35/04/00/671350400.db2.gz HQWADWLZKASTHR-JTQLQIEISA-N 1 0 305.294 0.495 20 5 DCBDRO COC(=O)Cc1ccc(NC[C@@H](O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000827373320 671525573 /nfs/dbraw/zinc/52/55/73/671525573.db2.gz ICXZRNWAYMESOF-LLVKDONJSA-N 1 0 311.338 0.645 20 5 DCBDRO [NH3+][C@@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000834400947 671758425 /nfs/dbraw/zinc/75/84/25/671758425.db2.gz NFRZQZKOZPXFBO-LBPRGKRZSA-N 1 0 303.322 0.798 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841147451 671914901 /nfs/dbraw/zinc/91/49/01/671914901.db2.gz HDMCFKHOVLZJOU-SSDOTTSWSA-N 1 0 312.713 0.746 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841203336 671919309 /nfs/dbraw/zinc/91/93/09/671919309.db2.gz MDBAEUBHCTYBPJ-UHFFFAOYSA-N 1 0 312.301 0.659 20 5 DCBDRO CN(CC[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842478250 672014142 /nfs/dbraw/zinc/01/41/42/672014142.db2.gz GGAFUANCFKTBQC-UHFFFAOYSA-N 1 0 321.381 0.134 20 5 DCBDRO [NH3+]CC[C@@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842859744 672043058 /nfs/dbraw/zinc/04/30/58/672043058.db2.gz MZDOWZKJLZCOHT-JTQLQIEISA-N 1 0 314.367 0.882 20 5 DCBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CCO ZINC000843105850 672062295 /nfs/dbraw/zinc/06/22/95/672062295.db2.gz XWEQCUAHUYKHNP-UONOGXRCSA-N 1 0 323.349 0.201 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H](CO)CN2CCCC2)cc1 ZINC000843114108 672063303 /nfs/dbraw/zinc/06/33/03/672063303.db2.gz CZKJZYLXKNPIDF-ZFWWWQNUSA-N 1 0 309.366 0.675 20 5 DCBDRO Cn1cc(C[C@H](CO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843115081 672063567 /nfs/dbraw/zinc/06/35/67/672063567.db2.gz KDNBSRRBEZLROQ-HIFRSBDPSA-N 1 0 320.349 0.555 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843479808 672102744 /nfs/dbraw/zinc/10/27/44/672102744.db2.gz UDTBLWHRDNCCMH-GFCCVEGCSA-N 1 0 322.321 0.154 20 5 DCBDRO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844040255 672141826 /nfs/dbraw/zinc/14/18/26/672141826.db2.gz UPSHIKDRXHSQCR-LLVKDONJSA-N 1 0 314.386 0.400 20 5 DCBDRO Cc1nn(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000902641711 685458239 /nfs/dbraw/zinc/45/82/39/685458239.db2.gz AEUWMLYTQCWFGK-STQMWFEESA-N 1 0 309.370 0.588 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]CCc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139556 693710179 /nfs/dbraw/zinc/71/01/79/693710179.db2.gz FKCYGBLSYZRJKG-CNVPUSNMSA-N 1 0 310.379 0.588 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C1(C(N)=O)CC1 ZINC001691457150 1157780595 /nfs/dbraw/zinc/78/05/95/1157780595.db2.gz VNLXXPDBDDFPRU-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001566177704 1159970840 /nfs/dbraw/zinc/97/08/40/1159970840.db2.gz WNZZPMWAEKETDJ-UHFFFAOYSA-N 1 0 319.325 0.204 20 5 DCBDRO O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC001574441056 1163726100 /nfs/dbraw/zinc/72/61/00/1163726100.db2.gz LOQXEMLYSSGCHQ-LLVKDONJSA-N 1 0 320.298 0.431 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC001576152797 1164253760 /nfs/dbraw/zinc/25/37/60/1164253760.db2.gz LMVDRDOMCQYLES-VIFPVBQESA-N 1 0 322.321 0.126 20 5 DCBDRO CNC(=O)c1ccc(N2CC[NH2+][C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001578562313 1165062076 /nfs/dbraw/zinc/06/20/76/1165062076.db2.gz BVIWEUSVKLPGHQ-LLVKDONJSA-N 1 0 308.338 0.115 20 5 DCBDRO [NH3+][C@]1(CO)CCCN(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC001580155517 1165521701 /nfs/dbraw/zinc/52/17/01/1165521701.db2.gz XUHYHMMNQUAKDW-OAHLLOKOSA-N 1 0 322.365 0.633 20 5 DCBDRO [NH3+][C@@]1(CO)CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001580154753 1165522456 /nfs/dbraw/zinc/52/24/56/1165522456.db2.gz LZXBJVPIYDIGDD-SZTZYQKNSA-N 1 0 305.334 0.920 20 5 DCBDRO NC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230058 1165542455 /nfs/dbraw/zinc/54/24/55/1165542455.db2.gz XWKVGZXWVWQAKX-KBPBESRZSA-N 1 0 311.386 0.649 20 5 DCBDRO [NH3+]CC1(NC(=O)COc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001580244988 1165546390 /nfs/dbraw/zinc/54/63/90/1165546390.db2.gz NTCLUYSZDDRIQF-UHFFFAOYSA-N 1 0 309.322 0.598 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001580330288 1165573030 /nfs/dbraw/zinc/57/30/30/1165573030.db2.gz ROCBZNNWLPQDGQ-GFCCVEGCSA-N 1 0 306.322 0.274 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)C1 ZINC001580413001 1165595394 /nfs/dbraw/zinc/59/53/94/1165595394.db2.gz FLDDDFVBEACIIW-VIFPVBQESA-N 1 0 307.306 0.929 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1CO ZINC001580541209 1165633121 /nfs/dbraw/zinc/63/31/21/1165633121.db2.gz NMXSKCDRHDMWRJ-NSHDSACASA-N 1 0 309.322 0.156 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC2(CC[NH2+]2)CC1 ZINC001580702836 1165692648 /nfs/dbraw/zinc/69/26/48/1165692648.db2.gz JVBNIIWLEVXNIV-UHFFFAOYSA-N 1 0 308.342 0.329 20 5 DCBDRO O=[N+]([O-])c1cc(F)c(CN2CCN(C3C[NH2+]C3)CC2)c(F)c1 ZINC001580875105 1165749638 /nfs/dbraw/zinc/74/96/38/1165749638.db2.gz YKVAJSULRCVKSL-UHFFFAOYSA-N 1 0 312.320 0.962 20 5 DCBDRO C[NH+](C)C[C@@H](CO)Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001591012449 1167079864 /nfs/dbraw/zinc/07/98/64/1167079864.db2.gz QGQXHUYUBYMSGH-LURJTMIESA-N 1 0 313.343 0.171 20 5 DCBDRO CN(CCC[NH+](C)C)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591018055 1167081795 /nfs/dbraw/zinc/08/17/95/1167081795.db2.gz WMAKDZOANOXEGH-UHFFFAOYSA-N 1 0 306.330 0.558 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001620969388 1167995812 /nfs/dbraw/zinc/99/58/12/1167995812.db2.gz IKICYZHRDLOWFV-JTQLQIEISA-N 1 0 307.354 0.986 20 5 DCBDRO C[NH+](C)[C@H]1CCCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604678890 1169653534 /nfs/dbraw/zinc/65/35/34/1169653534.db2.gz CZACPCLIHNWHEM-JTQLQIEISA-N 1 0 318.341 0.700 20 5 DCBDRO CNC(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001620586255 1171404171 /nfs/dbraw/zinc/40/41/71/1171404171.db2.gz PWWMYBOXERITPB-UHFFFAOYSA-N 1 0 323.349 0.858 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](Nc3ncccn3)C2)c1 ZINC001620647718 1171405914 /nfs/dbraw/zinc/40/59/14/1171405914.db2.gz BVOXYJSKCFZTAO-NSHDSACASA-N 1 0 303.326 0.768 20 5 DCBDRO COCC[C@H](CO)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001621283465 1171409111 /nfs/dbraw/zinc/40/91/11/1171409111.db2.gz UJMFADBGTKXZSU-SNVBAGLBSA-N 1 0 300.311 0.796 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)n1 ZINC001623488858 1171438476 /nfs/dbraw/zinc/43/84/76/1171438476.db2.gz PRYCBVUWNVXOJM-MNOVXSKESA-N 1 0 323.353 0.092 20 5 DCBDRO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001635940931 1171718000 /nfs/dbraw/zinc/71/80/00/1171718000.db2.gz ITPSKIWYDCHPGZ-LURJTMIESA-N 1 0 315.717 0.174 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001635942885 1171718531 /nfs/dbraw/zinc/71/85/31/1171718531.db2.gz ZZHXMFHQBYUGPJ-LLVKDONJSA-N 1 0 320.349 0.596 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641856929 1171930760 /nfs/dbraw/zinc/93/07/60/1171930760.db2.gz HQEAJMAIKKSMBG-OCCSQVGLSA-N 1 0 323.349 0.201 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001642675944 1171954187 /nfs/dbraw/zinc/95/41/87/1171954187.db2.gz IISUMNKAUSDJCP-UHFFFAOYSA-N 1 0 322.365 0.706 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CCC2CCOCC2)CC1 ZINC001642856061 1171958561 /nfs/dbraw/zinc/95/85/61/1171958561.db2.gz LAKWHRGHRATWMQ-ZIAGYGMSSA-N 1 0 311.382 0.613 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)n1 ZINC001643089208 1171965193 /nfs/dbraw/zinc/96/51/93/1171965193.db2.gz HKHYSSKEWRVZRK-NWDGAFQWSA-N 1 0 322.365 0.825 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001647836403 1173057188 /nfs/dbraw/zinc/05/71/88/1173057188.db2.gz KPSBIMBXIMMEIJ-CYBMUJFWSA-N 1 0 311.338 0.011 20 5 DCBDRO COC1(OC)CCOC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001648204853 1173069269 /nfs/dbraw/zinc/06/92/69/1173069269.db2.gz VQVBSMDOVCOOMH-NSHDSACASA-N 1 0 300.315 0.159 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001655309762 1173817897 /nfs/dbraw/zinc/81/78/97/1173817897.db2.gz SCLGZTJKWDBPDX-CQSZACIVSA-N 1 0 311.338 0.910 20 5 DCBDRO CC[N@H+](C)[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001657489821 1173911865 /nfs/dbraw/zinc/91/18/65/1173911865.db2.gz WLKPSWAMFUXYBT-SNVBAGLBSA-N 1 0 314.367 0.705 20 5 DCBDRO CC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001659074061 1173930050 /nfs/dbraw/zinc/93/00/50/1173930050.db2.gz ZXZMNYJYUVDVSR-OLZOCXBDSA-N 1 0 323.349 0.545 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001685506129 1176036170 /nfs/dbraw/zinc/03/61/70/1176036170.db2.gz SODLVJZHDITZOQ-DRZSPHRISA-N 1 0 322.369 0.431 20 5 DCBDRO COCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001724745241 1184541520 /nfs/dbraw/zinc/54/15/20/1184541520.db2.gz POYYCSRVEQISRS-AAVRWANBSA-N 1 0 313.398 0.953 20 5 DCBDRO C[N@H+](CCNC(=O)C1(C(N)=O)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753062779 1188488413 /nfs/dbraw/zinc/48/84/13/1188488413.db2.gz WJMINDAUPSFWOB-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164667607 719399466 /nfs/dbraw/zinc/39/94/66/719399466.db2.gz OGQSEZOTLRCXEX-GHMZBOCLSA-N 1 0 322.321 0.296 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCS(=O)CC1 ZINC001167686632 747589596 /nfs/dbraw/zinc/58/95/96/747589596.db2.gz TUQZGVVFLGNZMA-UHFFFAOYSA-N 1 0 300.384 0.943 20 5 DCBDRO CS(=O)(=O)c1ccc(-n2ccc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167732020 747936382 /nfs/dbraw/zinc/93/63/82/747936382.db2.gz IWLHZGIXRPQVOU-UHFFFAOYSA-N 1 0 310.335 0.685 20 5 DCBDRO Cn1nccc1CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126392951 748691584 /nfs/dbraw/zinc/69/15/84/748691584.db2.gz FSMOMRNUJYJGBF-UHFFFAOYSA-N 1 0 323.378 0.838 20 5 DCBDRO COc1nc(NC(=N)N2CC[NH+](C)CC2)nc(C)c1[N+](=O)[O-] ZINC001168737298 753995634 /nfs/dbraw/zinc/99/56/34/753995634.db2.gz YXTINHMDLMJXPB-UHFFFAOYSA-N 1 0 309.330 0.296 20 5 DCBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC001118176964 754924324 /nfs/dbraw/zinc/92/43/24/754924324.db2.gz RCQKHYAHMSEOKH-SECBINFHSA-N 1 0 317.367 0.880 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ccc([N+](=O)[O-])c(OC)n1 ZINC001155078148 759471472 /nfs/dbraw/zinc/47/14/72/759471472.db2.gz KQEDTEICJSIDEA-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncnc(OC)c1[N+](=O)[O-] ZINC001155077337 759472324 /nfs/dbraw/zinc/47/23/24/759472324.db2.gz AAVPIVKJCMMXDW-UHFFFAOYSA-N 1 0 322.281 0.215 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCOCCOCCOCCO)C1 ZINC001168969881 760534508 /nfs/dbraw/zinc/53/45/08/760534508.db2.gz GEZKZKCPHFUTDY-UONOGXRCSA-N 1 0 320.386 0.064 20 5 DCBDRO CCS(=O)(=O)N([C@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]C1 ZINC001169048616 760563156 /nfs/dbraw/zinc/56/31/56/760563156.db2.gz ABEDASDMJKCEBF-FRRDWIJNSA-N 1 0 319.427 0.836 20 5 DCBDRO CN(CCNC(=O)C1CC[NH+](C)CC1)c1ncccc1[N+](=O)[O-] ZINC001100298603 763469545 /nfs/dbraw/zinc/46/95/45/763469545.db2.gz ULPVTQPBLFJHNI-UHFFFAOYSA-N 1 0 321.381 0.884 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170572066 763875785 /nfs/dbraw/zinc/87/57/85/763875785.db2.gz GPKPGOUIEJUYBX-GZMMTYOYSA-N 1 0 310.310 0.565 20 5 DCBDRO Cn1cc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001124608505 768269645 /nfs/dbraw/zinc/26/96/45/768269645.db2.gz WVBSHSXFVJYKJL-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO COC(=O)Cc1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001170781926 765741424 /nfs/dbraw/zinc/74/14/24/765741424.db2.gz LEKRDKPJIUQPNV-PWSUYJOCSA-N 1 0 309.322 0.303 20 5 DCBDRO O=[N+]([O-])c1cc(Br)nc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001170781537 765743470 /nfs/dbraw/zinc/74/34/70/765743470.db2.gz RQXRGPJRLVBCHM-HTRCEHHLSA-N 1 0 317.143 0.745 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)n1 ZINC001135244445 765849618 /nfs/dbraw/zinc/84/96/18/765849618.db2.gz ABFBNKQDFIXKPG-GARJFASQSA-N 1 0 307.354 0.881 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116342074 765862365 /nfs/dbraw/zinc/86/23/65/765862365.db2.gz MDLCTYPERCGVPC-NEPJUHHUSA-N 1 0 322.365 0.555 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118044991 766206952 /nfs/dbraw/zinc/20/69/52/766206952.db2.gz OFFYMHIJLNVERB-VIFPVBQESA-N 1 0 306.322 0.291 20 5 DCBDRO Cc1c(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nnn1C ZINC001125169487 768366303 /nfs/dbraw/zinc/36/63/03/768366303.db2.gz COYJMHZOJLBDGT-UHFFFAOYSA-N 1 0 318.337 0.551 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cnc(Cl)cc1[N+](=O)[O-] ZINC001170992947 766370992 /nfs/dbraw/zinc/37/09/92/766370992.db2.gz LLINGXWJHRLJQS-UHFFFAOYSA-N 1 0 302.718 0.971 20 5 DCBDRO CC(C)N1CCC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001120511147 767051760 /nfs/dbraw/zinc/05/17/60/767051760.db2.gz GRVXYVAMNCLGBA-GXTWGEPZSA-N 1 0 311.386 0.615 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC001141281407 768573482 /nfs/dbraw/zinc/57/34/82/768573482.db2.gz XBQRVECZXAHIFW-SNVBAGLBSA-N 1 0 311.342 0.203 20 5 DCBDRO COC(=O)c1cc(C)nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001233999697 769518450 /nfs/dbraw/zinc/51/84/50/769518450.db2.gz BXINNCSWHKNFQG-GFCCVEGCSA-N 1 0 311.358 0.539 20 5 DCBDRO C[NH+]1CCC(CCO)(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC001153333750 769789766 /nfs/dbraw/zinc/78/97/66/769789766.db2.gz VCSGEQHJUFHDQY-UHFFFAOYSA-N 1 0 323.353 0.149 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2([C@H]3CCCCO3)CC2)c1 ZINC001176431655 770098708 /nfs/dbraw/zinc/09/87/08/770098708.db2.gz IBYVXAJAVXTKRL-QWHCGFSZSA-N 1 0 310.354 0.844 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@]3(CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC001177003225 770288630 /nfs/dbraw/zinc/28/86/30/770288630.db2.gz UERWWZCILYQGLC-HNNXBMFYSA-N 1 0 319.317 0.833 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001155154396 770415536 /nfs/dbraw/zinc/41/55/36/770415536.db2.gz WTTOAXYAOZEREO-LBPRGKRZSA-N 1 0 324.337 0.715 20 5 DCBDRO Cn1cccc1CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155211188 770430849 /nfs/dbraw/zinc/43/08/49/770430849.db2.gz UFRRCCIXRLAMMJ-UHFFFAOYSA-N 1 0 317.353 0.745 20 5 DCBDRO COc1ncnc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)c1[N+](=O)[O-] ZINC001155377930 770483278 /nfs/dbraw/zinc/48/32/78/770483278.db2.gz WTZPWKYVMFGGJI-LLVKDONJSA-N 1 0 322.369 0.253 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155483270 770519313 /nfs/dbraw/zinc/51/93/13/770519313.db2.gz RSDAGWMRLBCDIR-GGZOMVNGSA-N 1 0 322.321 0.423 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@]23C[NH2+]C[C@H]2COC3)c([N+](=O)[O-])c1 ZINC001155517454 770532941 /nfs/dbraw/zinc/53/29/41/770532941.db2.gz VGMZOBWEPLXMPK-UFBFGSQYSA-N 1 0 309.282 0.546 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001178455662 770758057 /nfs/dbraw/zinc/75/80/57/770758057.db2.gz KBHHWSRLVNRJNL-WDEREUQCSA-N 1 0 324.385 0.648 20 5 DCBDRO O=C(NCCCCCC[NH2+]CCn1cncn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178464499 770760584 /nfs/dbraw/zinc/76/05/84/770760584.db2.gz UITYJBHJGPWFLM-CHWSQXEVSA-N 1 0 324.385 0.210 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC(N3CC[NH+](C)CC3)C2)n1 ZINC001156295403 770779415 /nfs/dbraw/zinc/77/94/15/770779415.db2.gz LLOGBYNEJZOASG-UHFFFAOYSA-N 1 0 319.365 0.370 20 5 DCBDRO Cn1cc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1 ZINC001157454840 771613130 /nfs/dbraw/zinc/61/31/30/771613130.db2.gz UEAWJEIFDDTVIJ-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO COc1nc(N(CC[NH3+])c2cccnc2)nc(OC)c1[N+](=O)[O-] ZINC001158000602 771710167 /nfs/dbraw/zinc/71/01/67/771710167.db2.gz CYBLBQKENWXDQO-UHFFFAOYSA-N 1 0 320.309 0.894 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001158640561 771799866 /nfs/dbraw/zinc/79/98/66/771799866.db2.gz HAQWWNHRBKJXTL-FZMZJTMJSA-N 1 0 321.337 0.303 20 5 DCBDRO CO[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158705287 771810097 /nfs/dbraw/zinc/81/00/97/771810097.db2.gz HEEODSCHWOREOF-CRCLSJGQSA-N 1 0 308.125 0.854 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001159488625 771918144 /nfs/dbraw/zinc/91/81/44/771918144.db2.gz FFPQCWBXBSCGLF-KWQFWETISA-N 1 0 310.310 0.565 20 5 DCBDRO CSc1nc(Cl)nc(N[C@@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001159679062 771943489 /nfs/dbraw/zinc/94/34/89/771943489.db2.gz SEVQETRBELYMFA-NTSWFWBYSA-N 1 0 319.774 0.752 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001159864002 771970536 /nfs/dbraw/zinc/97/05/36/771970536.db2.gz INKTZFCXRNVINN-UHFFFAOYSA-N 1 0 318.717 0.210 20 5 DCBDRO O=[N+]([O-])c1cnc(NCc2ccnn2CCF)nc1C1C[NH2+]C1 ZINC001162022814 772315506 /nfs/dbraw/zinc/31/55/06/772315506.db2.gz KPLCUTNHEOHVLJ-UHFFFAOYSA-N 1 0 321.316 0.850 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ccc([N+](=O)[O-])c2cnccc21 ZINC001162125939 772329585 /nfs/dbraw/zinc/32/95/85/772329585.db2.gz AFIILKDYBASTMP-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cc(F)c[nH]1 ZINC001162724451 772411260 /nfs/dbraw/zinc/41/12/60/772411260.db2.gz PAQCGDYBLPEGCK-UHFFFAOYSA-N 1 0 324.316 0.705 20 5 DCBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1ncc([N+](=O)[O-])cn1 ZINC001162725086 772412160 /nfs/dbraw/zinc/41/21/60/772412160.db2.gz IZMOZZXWGLHUJX-NSHDSACASA-N 1 0 311.342 0.928 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163081925 772457136 /nfs/dbraw/zinc/45/71/36/772457136.db2.gz NXBSAWNPUIHKMM-NSHDSACASA-N 1 0 322.321 0.567 20 5 DCBDRO NC(=O)c1nc(NCC[C@H]2CCOC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001163081246 772457286 /nfs/dbraw/zinc/45/72/86/772457286.db2.gz KLRVHEDBWFSHCF-VIFPVBQESA-N 1 0 321.337 0.269 20 5 DCBDRO COc1nc(NCc2noc3c2C[NH2+]CC3)nc(C)c1[N+](=O)[O-] ZINC001163125935 772467915 /nfs/dbraw/zinc/46/79/15/772467915.db2.gz IOWZUTKDGZHUGV-UHFFFAOYSA-N 1 0 320.309 0.948 20 5 DCBDRO COC(=O)c1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc([N+](=O)[O-])c1 ZINC001163252080 772491792 /nfs/dbraw/zinc/49/17/92/772491792.db2.gz DTWJKCZSUPEPED-FZMZJTMJSA-N 1 0 320.305 0.371 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])c3nccn3c2)N1 ZINC001163252061 772492012 /nfs/dbraw/zinc/49/20/12/772492012.db2.gz TXNADQIMRBOZGL-MFKMUULPSA-N 1 0 302.294 0.233 20 5 DCBDRO C[C@H]1CC[C@@H](CO)N1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164304941 772642251 /nfs/dbraw/zinc/64/22/51/772642251.db2.gz SDDVDKBPHUSTAZ-QWRGUYRKSA-N 1 0 322.369 0.144 20 5 DCBDRO O=C(NCCC1(C[NH2+]CCn2cccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164494784 772668249 /nfs/dbraw/zinc/66/82/49/772668249.db2.gz RZMDSQPPAJLKOR-CHWSQXEVSA-N 1 0 321.381 0.424 20 5 DCBDRO O=C1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1(F)F ZINC001166975884 772895500 /nfs/dbraw/zinc/89/55/00/772895500.db2.gz BBHJMAQFJKQZNM-UHFFFAOYSA-N 1 0 313.264 0.486 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001205237668 772984101 /nfs/dbraw/zinc/98/41/01/772984101.db2.gz MJNBANAFABYNLC-AWEZNQCLSA-N 1 0 306.322 0.892 20 5 DCBDRO COc1c(O)ccc(C[NH2+]CC[C@@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC001207485361 773216980 /nfs/dbraw/zinc/21/69/80/773216980.db2.gz QANHICZVKFNOCT-VIFPVBQESA-N 1 0 309.322 0.925 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c1 ZINC001196083391 773536804 /nfs/dbraw/zinc/53/68/04/773536804.db2.gz MHXPOGXMYKCXEO-ZMJPVWNMSA-N 1 0 310.354 0.245 20 5 DCBDRO COC(=O)c1ncccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001222750873 775424785 /nfs/dbraw/zinc/42/47/85/775424785.db2.gz PEHGUPJZRPXXIK-GFCCVEGCSA-N 1 0 311.358 0.369 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1c(O)ccc2ccc(=O)oc21 ZINC001226596954 775843016 /nfs/dbraw/zinc/84/30/16/775843016.db2.gz PHCAMZRORZGZPS-LLVKDONJSA-O 1 0 322.337 0.861 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)CCC(=O)N2 ZINC001227246615 775950574 /nfs/dbraw/zinc/95/05/74/775950574.db2.gz XMBPLEATLJBDIW-GFCCVEGCSA-O 1 0 307.370 0.934 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001246155012 945350157 /nfs/dbraw/zinc/35/01/57/945350157.db2.gz WGZCQMSLUJDERC-ZLDLUXBVSA-N 1 0 302.334 0.230 20 5 DCBDRO COc1ccnc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001483732313 942772514 /nfs/dbraw/zinc/77/25/14/942772514.db2.gz GKQXOFFKLAEESL-CHWSQXEVSA-N 1 0 320.349 0.494 20 5 DCBDRO Cc1nccnc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484742191 943543934 /nfs/dbraw/zinc/54/39/34/943543934.db2.gz SIPFTTFSQDDKDI-TZMCWYRMSA-N 1 0 321.381 0.731 20 5 DCBDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246905548 945515206 /nfs/dbraw/zinc/51/52/06/945515206.db2.gz PJQAYPSTJNIKJM-UBHSHLNASA-N 1 0 305.334 0.637 20 5 DCBDRO [NH3+]CCc1nnn(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC001254466790 946396198 /nfs/dbraw/zinc/39/61/98/946396198.db2.gz MYJYKPFUMNFJMK-UHFFFAOYSA-N 1 0 317.353 0.924 20 5 DCBDRO C[C@@H](O)[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254465280 946398370 /nfs/dbraw/zinc/39/83/70/946398370.db2.gz WWPILDIVSYBMSP-IAQYHMDHSA-N 1 0 309.366 0.895 20 5 DCBDRO C[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254588341 946412899 /nfs/dbraw/zinc/41/28/99/946412899.db2.gz DLTVIOAUDZPTMQ-HOTUBEGUSA-N 1 0 320.349 0.030 20 5 DCBDRO CN(CCC[NH2+]CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322505281 946703058 /nfs/dbraw/zinc/70/30/58/946703058.db2.gz KNXKVOITAJCKJS-CHWSQXEVSA-N 1 0 309.370 0.066 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC001261503747 947321426 /nfs/dbraw/zinc/32/14/26/947321426.db2.gz KHKUJPNNXOVJKD-CABCVRRESA-N 1 0 307.350 0.379 20 5 DCBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001263155638 947813877 /nfs/dbraw/zinc/81/38/77/947813877.db2.gz AZVJCVHMTLBWQR-SNVBAGLBSA-N 1 0 323.374 0.934 20 5 DCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001325707209 947890191 /nfs/dbraw/zinc/89/01/91/947890191.db2.gz KOMWIXYWSIVTJR-NSHDSACASA-N 1 0 324.385 0.084 20 5 DCBDRO O=C(C[C@H]1COCC[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001325855958 947954567 /nfs/dbraw/zinc/95/45/67/947954567.db2.gz MICDQJJPOUSEMR-NSHDSACASA-N 1 0 323.353 0.333 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001326037125 948028318 /nfs/dbraw/zinc/02/83/18/948028318.db2.gz VXVFXYSIJURECH-LBPRGKRZSA-N 1 0 318.333 0.257 20 5 DCBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC001326166870 948079751 /nfs/dbraw/zinc/07/97/51/948079751.db2.gz PUPRHLIVMPYORY-JQWIXIFHSA-N 1 0 323.353 0.676 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001327854732 948646167 /nfs/dbraw/zinc/64/61/67/948646167.db2.gz BURDJFGQWYSWRD-GFCCVEGCSA-N 1 0 318.333 0.387 20 5 DCBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001327915851 948662641 /nfs/dbraw/zinc/66/26/41/948662641.db2.gz DVIALBYIZKDXFW-GHMZBOCLSA-N 1 0 308.338 0.308 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328769178 949086243 /nfs/dbraw/zinc/08/62/43/949086243.db2.gz DEIXXUYRBHJKDC-SNVBAGLBSA-N 1 0 320.349 0.551 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001331732239 951277427 /nfs/dbraw/zinc/27/74/27/951277427.db2.gz USSQOBZJHOEMSU-SNVBAGLBSA-N 1 0 308.338 0.059 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)CCO ZINC001332212152 951522386 /nfs/dbraw/zinc/52/23/86/951522386.db2.gz BMJKUTMWSKESEW-UHFFFAOYSA-N 1 0 310.354 0.633 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001333567192 952103611 /nfs/dbraw/zinc/10/36/11/952103611.db2.gz OUPNYVYJVMIBPH-SECBINFHSA-N 1 0 306.322 0.161 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001338462062 953016249 /nfs/dbraw/zinc/01/62/49/953016249.db2.gz KZOBBLMYQYIWTL-CYZMBNFOSA-N 1 0 307.354 0.638 20 5 DCBDRO Cc1c(CNC(=O)N2CCNCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC001338594912 953034945 /nfs/dbraw/zinc/03/49/45/953034945.db2.gz IIKJAADQRLAXHT-UHFFFAOYSA-N 1 0 321.381 0.608 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)C1 ZINC001339577280 953104135 /nfs/dbraw/zinc/10/41/35/953104135.db2.gz BYSPQVZUBMMHPV-LBPRGKRZSA-N 1 0 320.397 0.788 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001340729111 953191248 /nfs/dbraw/zinc/19/12/48/953191248.db2.gz RHMBRDLWHIEVJP-ZDUSSCGKSA-N 1 0 307.350 0.710 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001340895710 953202655 /nfs/dbraw/zinc/20/26/55/953202655.db2.gz YBSPGCPCIYUNBO-FOSCPWQOSA-N 1 0 307.354 0.841 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001341044696 953208412 /nfs/dbraw/zinc/20/84/12/953208412.db2.gz MCINBSSURPASAG-VXGBXAGGSA-N 1 0 307.354 0.843 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001341805597 953251222 /nfs/dbraw/zinc/25/12/22/953251222.db2.gz LOIIAMBZTXSZPK-OAHLLOKOSA-N 1 0 318.377 0.989 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001343057171 953320153 /nfs/dbraw/zinc/32/01/53/953320153.db2.gz WFRIHLSWOZBYLM-LBPRGKRZSA-N 1 0 309.322 0.420 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)OC[C@H]2CC[N@@H+]2C2CCOCC2)n1 ZINC001344932870 953562537 /nfs/dbraw/zinc/56/25/37/953562537.db2.gz WPBCGEVPYLNJSB-LLVKDONJSA-N 1 0 324.337 0.738 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348606023 954386166 /nfs/dbraw/zinc/38/61/66/954386166.db2.gz SZPNPFNFQPPMHR-VIFPVBQESA-N 1 0 306.322 0.148 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC23CCC[NH+](CCC2)C3)n1 ZINC001348901166 954523928 /nfs/dbraw/zinc/52/39/28/954523928.db2.gz UPABDSFKVNXTNV-UHFFFAOYSA-N 1 0 307.354 0.934 20 5 DCBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001349879730 954918409 /nfs/dbraw/zinc/91/84/09/954918409.db2.gz JZUNGYGBKGLFOH-LBPRGKRZSA-N 1 0 324.381 0.993 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)n1 ZINC001289377380 956746085 /nfs/dbraw/zinc/74/60/85/956746085.db2.gz UJROTKAFOVLACE-YGRLFVJLSA-N 1 0 307.354 0.835 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1C[N@H+](C)CCN1C ZINC001293745162 957424482 /nfs/dbraw/zinc/42/44/82/957424482.db2.gz OOIPAQFDJVBBHJ-ZWNOBZJWSA-N 1 0 321.381 0.541 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001464229799 1015890893 /nfs/dbraw/zinc/89/08/93/1015890893.db2.gz CWERPHCXZQQJGC-NWDGAFQWSA-N 1 0 320.349 0.500 20 5 DCBDRO COc1c(O)ccc(C[NH2+][C@@]2(CCO)CCOC2)c1[N+](=O)[O-] ZINC001474476497 1017016484 /nfs/dbraw/zinc/01/64/84/1017016484.db2.gz DFMPRWFDIYMMBV-AWEZNQCLSA-N 1 0 312.322 0.940 20 5 DCBDRO C[C@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC001477127165 1017255356 /nfs/dbraw/zinc/25/53/56/1017255356.db2.gz GAFYOUIFLKMLKY-GZMMTYOYSA-N 1 0 321.337 0.908 20 5 DCBDRO CC[C@@H]1C[N@H+](CC)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835118 1012428674 /nfs/dbraw/zinc/42/86/74/1012428674.db2.gz AKLDROZSRBPYMP-OCCSQVGLSA-N 1 0 311.386 0.568 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001560064925 1012441820 /nfs/dbraw/zinc/44/18/20/1012441820.db2.gz YATLAESZMIWFKA-SMDDNHRTSA-N 1 0 314.338 0.322 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1SC ZINC001522263517 1017475241 /nfs/dbraw/zinc/47/52/41/1017475241.db2.gz FELKLQSVNCBPFG-SNVBAGLBSA-N 1 0 313.379 0.969 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001659755294 1173935169 /nfs/dbraw/zinc/93/51/69/1173935169.db2.gz KUCTUIQVMPOBRJ-CQSZACIVSA-N 1 0 311.338 0.829 20 5 DCBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000374631909 282254759 /nfs/dbraw/zinc/25/47/59/282254759.db2.gz RLTLMGHZMYINKP-GARJFASQSA-N 1 0 307.354 0.836 20 5 DCBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000234962583 201912204 /nfs/dbraw/zinc/91/22/04/201912204.db2.gz CJNGBWOLBGWGTN-SCZZXKLOSA-N 1 0 315.351 0.571 20 5 DCBDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179239773 199003087 /nfs/dbraw/zinc/00/30/87/199003087.db2.gz JYDLXSKJSVSABS-NSHDSACASA-N 1 0 309.322 0.784 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000153270926 237015901 /nfs/dbraw/zinc/01/59/01/237015901.db2.gz XFRPJUKVZHICBG-CQSZACIVSA-N 1 0 311.338 0.402 20 5 DCBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000154258374 291212232 /nfs/dbraw/zinc/21/22/32/291212232.db2.gz LXQZWRDTCOJLEA-GFCCVEGCSA-N 1 0 324.385 0.813 20 5 DCBDRO CC(C)(C)NC(=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000317407113 291255129 /nfs/dbraw/zinc/25/51/29/291255129.db2.gz MRPSHNSVPWDEDA-NSHDSACASA-N 1 0 313.358 0.047 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000566272780 291290155 /nfs/dbraw/zinc/29/01/55/291290155.db2.gz KYCCVKONWFRGNM-UHFFFAOYSA-N 1 0 310.354 0.827 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000415581349 239604071 /nfs/dbraw/zinc/60/40/71/239604071.db2.gz NIHFLZPISUCGDI-ZWNOBZJWSA-N 1 0 308.338 0.913 20 5 DCBDRO C[C@@H](CC[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420415928 240024774 /nfs/dbraw/zinc/02/47/74/240024774.db2.gz GFPHQTYUAHHQTE-JTQLQIEISA-N 1 0 301.368 0.794 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC[N@@H+]1CCCOCC1 ZINC000420602199 240048779 /nfs/dbraw/zinc/04/87/79/240048779.db2.gz AUVNMKQMZLRYDN-UHFFFAOYSA-N 1 0 308.338 0.828 20 5 DCBDRO CCOC(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422740449 240180746 /nfs/dbraw/zinc/18/07/46/240180746.db2.gz BTQYMZCEDHLKHL-NSHDSACASA-N 1 0 307.306 0.863 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[NH2+]CC1 ZINC000422745000 240182452 /nfs/dbraw/zinc/18/24/52/240182452.db2.gz LHMRXRAEUURESA-UHFFFAOYSA-N 1 0 322.365 0.629 20 5 DCBDRO [NH3+]C[C@H]1CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000430550864 240397111 /nfs/dbraw/zinc/39/71/11/240397111.db2.gz GYRJOASXRWUPLD-SECBINFHSA-N 1 0 322.321 0.685 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000567708011 291371580 /nfs/dbraw/zinc/37/15/80/291371580.db2.gz HITRWHIJBUCLTQ-ZDUSSCGKSA-N 1 0 320.353 0.475 20 5 DCBDRO Cc1nccnc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567697350 291370774 /nfs/dbraw/zinc/37/07/74/291370774.db2.gz VJTYNSMADNFDMG-GFCCVEGCSA-N 1 0 306.326 0.083 20 5 DCBDRO CCn1ccnc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567892400 291388540 /nfs/dbraw/zinc/38/85/40/291388540.db2.gz VUXANLOMTXUNQN-CMPLNLGQSA-N 1 0 308.342 0.719 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264955494 204301267 /nfs/dbraw/zinc/30/12/67/204301267.db2.gz KZPRGBBVEBODBE-UHFFFAOYSA-N 1 0 307.354 0.796 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000042591651 183288929 /nfs/dbraw/zinc/28/89/29/183288929.db2.gz NROOWCCFMCBYRW-UHFFFAOYSA-N 1 0 320.393 0.891 20 5 DCBDRO NS(=O)(=O)c1ccc(NCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000110797979 194359949 /nfs/dbraw/zinc/35/99/49/194359949.db2.gz BGNANAPAFUJBMN-SECBINFHSA-N 1 0 314.367 0.654 20 5 DCBDRO COC(=O)[C@@H]1CSCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331390019 533033170 /nfs/dbraw/zinc/03/31/70/533033170.db2.gz AKTNDAAEZWYPPD-JTQLQIEISA-N 1 0 314.367 0.629 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000339765165 253140279 /nfs/dbraw/zinc/14/02/79/253140279.db2.gz WEQILAUYVPDFPJ-UONOGXRCSA-N 1 0 310.354 0.701 20 5 DCBDRO Cn1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000340996858 253332915 /nfs/dbraw/zinc/33/29/15/253332915.db2.gz QCTCJRKYWZDQOM-SNVBAGLBSA-N 1 0 323.353 0.003 20 5 DCBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347406088 254154900 /nfs/dbraw/zinc/15/49/00/254154900.db2.gz FRYHSMODCDJMQW-JTQLQIEISA-N 1 0 313.358 0.415 20 5 DCBDRO CC[NH+](CC)CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000348692974 254249355 /nfs/dbraw/zinc/24/93/55/254249355.db2.gz FSZZMILEYGSXCQ-UHFFFAOYSA-N 1 0 324.385 0.767 20 5 DCBDRO C[NH+](C)C/C=C/C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000271654711 209097694 /nfs/dbraw/zinc/09/76/94/209097694.db2.gz LIXVMLKWOCQJBT-PRXHZCDDSA-N 1 0 323.349 0.223 20 5 DCBDRO NC(=O)c1ccc(C[NH+]2CCC(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC000027343416 395694951 /nfs/dbraw/zinc/69/49/51/395694951.db2.gz ZOWRPIGBYPNOTB-UHFFFAOYSA-N 1 0 306.322 0.391 20 5 DCBDRO CNC(=O)CN1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000037562859 395727737 /nfs/dbraw/zinc/72/77/37/395727737.db2.gz BMUMEBWUQRFIJU-UHFFFAOYSA-N 1 0 312.395 0.956 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000046063752 395770607 /nfs/dbraw/zinc/77/06/07/395770607.db2.gz KSXRCSFVXPJTOM-UHFFFAOYSA-N 1 0 306.366 0.801 20 5 DCBDRO Cc1ccc(C[NH2+]CCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000220725578 395849420 /nfs/dbraw/zinc/84/94/20/395849420.db2.gz RGYDYFXEQWHSFZ-UHFFFAOYSA-N 1 0 301.368 0.932 20 5 DCBDRO C[C@@H](CC(N)=O)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273485485 395924650 /nfs/dbraw/zinc/92/46/50/395924650.db2.gz VPOLVKSGBHSGKE-VIFPVBQESA-N 1 0 315.351 0.222 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246888798 395960203 /nfs/dbraw/zinc/96/02/03/395960203.db2.gz VDOSRDVHAWEYHD-YUTCNCBUSA-N 1 0 310.354 0.653 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248178020 395983513 /nfs/dbraw/zinc/98/35/13/395983513.db2.gz VYAIVPGXOXULAI-DGCLKSJQSA-N 1 0 307.354 0.734 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261638104 396051796 /nfs/dbraw/zinc/05/17/96/396051796.db2.gz DQONIIREOLVKLX-LBPRGKRZSA-N 1 0 322.340 0.854 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[NH2+]CC1 ZINC000261652018 396052477 /nfs/dbraw/zinc/05/24/77/396052477.db2.gz FNBPPYSMHPOXQP-UHFFFAOYSA-N 1 0 308.338 0.837 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000261657001 396053114 /nfs/dbraw/zinc/05/31/14/396053114.db2.gz KDLNUWVPQKCSCH-GHMZBOCLSA-N 1 0 311.363 0.967 20 5 DCBDRO C[C@H](C[NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262531761 396151907 /nfs/dbraw/zinc/15/19/07/396151907.db2.gz MCHNHXBWYBIMBA-LLVKDONJSA-N 1 0 320.349 0.474 20 5 DCBDRO CC(C)C[C@@H]1COCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075743917 396186052 /nfs/dbraw/zinc/18/60/52/396186052.db2.gz ODAWVJVYDRJNBS-OCCSQVGLSA-N 1 0 312.370 0.899 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[NH+](C)C ZINC000282340347 396282217 /nfs/dbraw/zinc/28/22/17/396282217.db2.gz DRCNXWXMPHPJRF-UHFFFAOYSA-N 1 0 312.301 0.659 20 5 DCBDRO C[NH+](C)CCN1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000079884803 396271861 /nfs/dbraw/zinc/27/18/61/396271861.db2.gz UWTLMUMULTZSNW-UHFFFAOYSA-N 1 0 309.374 0.405 20 5 DCBDRO CCc1n[nH]c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265957575 396350063 /nfs/dbraw/zinc/35/00/63/396350063.db2.gz WGMHIROPCAGBGX-JTQLQIEISA-N 1 0 324.385 0.246 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047691 396382583 /nfs/dbraw/zinc/38/25/83/396382583.db2.gz PFOBWPLDRNJFGF-GWCFXTLKSA-N 1 0 322.369 0.573 20 5 DCBDRO O=C([C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1)N1CCCC1 ZINC000287581170 396410049 /nfs/dbraw/zinc/41/00/49/396410049.db2.gz XUPNZANHRSDSAK-LBPRGKRZSA-N 1 0 307.354 0.736 20 5 DCBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1(CO)CCOCC1 ZINC000191032473 396414686 /nfs/dbraw/zinc/41/46/86/396414686.db2.gz WAAANRGQGPHVIN-UHFFFAOYSA-N 1 0 311.338 0.230 20 5 DCBDRO NC(=O)C[C@@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269741928 396441665 /nfs/dbraw/zinc/44/16/65/396441665.db2.gz WDKNBLLIQMJJMK-SECBINFHSA-N 1 0 300.702 0.067 20 5 DCBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000289175578 396456176 /nfs/dbraw/zinc/45/61/76/396456176.db2.gz HYZFDYNQXPEXEM-HAQNSBGRSA-N 1 0 322.365 0.638 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2cccc(O)c2)c1 ZINC000581365445 396548356 /nfs/dbraw/zinc/54/83/56/396548356.db2.gz SHWLQPLHLHFFER-CQSZACIVSA-N 1 0 306.322 0.690 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@H](C)C[NH2+]1 ZINC000595108949 396550234 /nfs/dbraw/zinc/55/02/34/396550234.db2.gz RITIKQYELXQTLZ-RKDXNWHRSA-N 1 0 300.340 0.361 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595274886 396576786 /nfs/dbraw/zinc/57/67/86/396576786.db2.gz CSWSPNVGRRYACW-NSHDSACASA-N 1 0 322.369 0.429 20 5 DCBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595680377 396647969 /nfs/dbraw/zinc/64/79/69/396647969.db2.gz ZYZSQCBDQZEWIU-MRVWCRGKSA-N 1 0 312.370 0.635 20 5 DCBDRO CC(C)[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000595411342 396605074 /nfs/dbraw/zinc/60/50/74/396605074.db2.gz HHMIPIXASCERPH-JTQLQIEISA-N 1 0 314.367 0.608 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@H]21 ZINC000374622149 396676901 /nfs/dbraw/zinc/67/69/01/396676901.db2.gz KKCFQVDBATZKNC-WCFLWFBJSA-N 1 0 320.349 0.342 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000374632957 396677899 /nfs/dbraw/zinc/67/78/99/396677899.db2.gz WBULOZYDLJYLGS-QJPTWQEYSA-N 1 0 307.354 0.686 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000595981244 396702144 /nfs/dbraw/zinc/70/21/44/396702144.db2.gz BYOYASHWZIHVPX-SECBINFHSA-N 1 0 304.310 0.513 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000563156256 396709728 /nfs/dbraw/zinc/70/97/28/396709728.db2.gz KCXIPGWIEWYDOE-GFCCVEGCSA-N 1 0 322.365 0.780 20 5 DCBDRO CO[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000596065825 396713354 /nfs/dbraw/zinc/71/33/54/396713354.db2.gz UZGPOVDNNRTDOO-ZIAGYGMSSA-N 1 0 312.370 0.947 20 5 DCBDRO C[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596078582 396715696 /nfs/dbraw/zinc/71/56/96/396715696.db2.gz WRIFLLJXWIJSLN-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000610925107 396784452 /nfs/dbraw/zinc/78/44/52/396784452.db2.gz OLBOGVJFHGZIGM-LLVKDONJSA-N 1 0 308.338 0.906 20 5 DCBDRO Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000563433638 396734353 /nfs/dbraw/zinc/73/43/53/396734353.db2.gz PHZUMUBFBHIDPW-MWLCHTKSSA-N 1 0 308.313 0.791 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000316674406 396796431 /nfs/dbraw/zinc/79/64/31/396796431.db2.gz VZNOIIHFSVNNHD-ZWNOBZJWSA-N 1 0 308.338 0.581 20 5 DCBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)C(=O)NC1C[NH2+]C1 ZINC000563616342 396760663 /nfs/dbraw/zinc/76/06/63/396760663.db2.gz RBFAQVUUQXNILA-UHFFFAOYSA-N 1 0 320.349 0.122 20 5 DCBDRO CCN(CC[NH3+])S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000312277282 396762989 /nfs/dbraw/zinc/76/29/89/396762989.db2.gz OOJFDSMJAJAAQW-UHFFFAOYSA-N 1 0 303.340 0.573 20 5 DCBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000563722397 396772413 /nfs/dbraw/zinc/77/24/13/396772413.db2.gz FSXIDLQMKVLRNO-SNVBAGLBSA-N 1 0 313.358 0.151 20 5 DCBDRO COC(=O)c1ccnc(N2CCC([NH2+]CCO)CC2)c1[N+](=O)[O-] ZINC000590582404 396803094 /nfs/dbraw/zinc/80/30/94/396803094.db2.gz SWUPNVKVZVSBDT-UHFFFAOYSA-N 1 0 324.337 0.327 20 5 DCBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600531157 396885531 /nfs/dbraw/zinc/88/55/31/396885531.db2.gz DSPXEDGYSAJETQ-CQSZACIVSA-N 1 0 307.350 0.710 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000591374443 396911612 /nfs/dbraw/zinc/91/16/12/396911612.db2.gz GQYNOQSHYMUNKE-MNOVXSKESA-N 1 0 320.349 0.420 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2COCCN2)n1 ZINC000600708762 396924955 /nfs/dbraw/zinc/92/49/55/396924955.db2.gz FTPBILCTLULHIW-RWMBFGLXSA-N 1 0 309.370 0.853 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600701181 396922665 /nfs/dbraw/zinc/92/26/65/396922665.db2.gz DXAGASFLUFURHO-SNVBAGLBSA-N 1 0 312.301 0.922 20 5 DCBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCOCC[NH3+] ZINC000600733187 396932176 /nfs/dbraw/zinc/93/21/76/396932176.db2.gz HSQRKJHTQJUIBG-LLVKDONJSA-N 1 0 310.354 0.829 20 5 DCBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000570955408 396940859 /nfs/dbraw/zinc/94/08/59/396940859.db2.gz MHDIFJCHVOVJTJ-LBPRGKRZSA-N 1 0 307.310 0.346 20 5 DCBDRO C[C@H](CO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612030347 396984183 /nfs/dbraw/zinc/98/41/83/396984183.db2.gz GJCSVVYZEZSLEH-JTQLQIEISA-N 1 0 302.352 0.587 20 5 DCBDRO CCCc1n[nH]c(C(=O)N[C@H](CC[NH3+])C(F)F)c1[N+](=O)[O-] ZINC000571799948 396990308 /nfs/dbraw/zinc/99/03/08/396990308.db2.gz YNZVNVYHYMJZJR-SSDOTTSWSA-N 1 0 305.285 0.983 20 5 DCBDRO COC1(CO)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000618551207 396991506 /nfs/dbraw/zinc/99/15/06/396991506.db2.gz NUAWFFLGTVTXNT-UHFFFAOYSA-N 1 0 311.338 0.230 20 5 DCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618374532 396973451 /nfs/dbraw/zinc/97/34/51/396973451.db2.gz AQKXLBZOCZHIBD-LLVKDONJSA-N 1 0 324.337 0.536 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(Cl)c1 ZINC000601345586 397070047 /nfs/dbraw/zinc/07/00/47/397070047.db2.gz DFHFRBZFSZNKFQ-CBAPKCEASA-N 1 0 317.754 0.983 20 5 DCBDRO Cc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc(C)n1 ZINC000572596178 397075987 /nfs/dbraw/zinc/07/59/87/397075987.db2.gz NVASGUMXVDDBLT-CYBMUJFWSA-N 1 0 306.326 0.349 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572603618 397077711 /nfs/dbraw/zinc/07/77/11/397077711.db2.gz QBBNFZNYXBVHRX-NSHDSACASA-N 1 0 319.365 0.297 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000377450643 397083759 /nfs/dbraw/zinc/08/37/59/397083759.db2.gz DJWYTOQFRQFPCG-GFCCVEGCSA-N 1 0 307.354 0.878 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000572381812 397054688 /nfs/dbraw/zinc/05/46/88/397054688.db2.gz FTMVNRVSYYDCHG-GFCCVEGCSA-N 1 0 308.338 0.311 20 5 DCBDRO CCc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000377593228 397107473 /nfs/dbraw/zinc/10/74/73/397107473.db2.gz MJCXTRYGUJTCBQ-NXEZZACHSA-N 1 0 323.353 0.473 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH+](C)C ZINC000619472870 397135517 /nfs/dbraw/zinc/13/55/17/397135517.db2.gz KHQRYNYUMKJQOZ-UHFFFAOYSA-N 1 0 303.340 0.443 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCCO1 ZINC000592342973 397156106 /nfs/dbraw/zinc/15/61/06/397156106.db2.gz SBKJGKITZZKNQO-NSHDSACASA-N 1 0 309.322 0.550 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H](C)C[NH3+] ZINC000592369330 397162457 /nfs/dbraw/zinc/16/24/57/397162457.db2.gz PACNLOAYKGFERM-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[NH2+]CC2(C)C)c([N+](=O)[O-])n1 ZINC000592372957 397163084 /nfs/dbraw/zinc/16/30/84/397163084.db2.gz LKPVJHNLMTUPHN-UHFFFAOYSA-N 1 0 317.371 0.184 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCC(C)([NH3+])CC2)c([N+](=O)[O-])n1 ZINC000592379162 397164035 /nfs/dbraw/zinc/16/40/35/397164035.db2.gz IHSJGSCNLXIOMB-UHFFFAOYSA-N 1 0 317.371 0.313 20 5 DCBDRO C[C@H](CCCC[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592389707 397168103 /nfs/dbraw/zinc/16/81/03/397168103.db2.gz VDRUZKOPZQDBNE-SECBINFHSA-N 1 0 302.356 0.786 20 5 DCBDRO COc1cccnc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573477349 397173004 /nfs/dbraw/zinc/17/30/04/397173004.db2.gz GCVNPVRDECOBRM-LLVKDONJSA-N 1 0 307.310 0.346 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601557292 397176175 /nfs/dbraw/zinc/17/61/75/397176175.db2.gz NLWPQRIDYVFORL-YPMHNXCESA-N 1 0 307.354 0.782 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475109 397185995 /nfs/dbraw/zinc/18/59/95/397185995.db2.gz ORWSBYXJINRCOQ-AAEUAGOBSA-N 1 0 322.365 0.890 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000592476781 397187206 /nfs/dbraw/zinc/18/72/06/397187206.db2.gz ZEZVACSNPKJNDL-CYBMUJFWSA-N 1 0 318.377 0.962 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C1 ZINC000619787783 397192218 /nfs/dbraw/zinc/19/22/18/397192218.db2.gz UGUCFLQBOAIUOM-LLVKDONJSA-N 1 0 322.369 0.170 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555574 397213420 /nfs/dbraw/zinc/21/34/20/397213420.db2.gz ZVKXCYHYOODPME-RYUDHWBXSA-N 1 0 322.369 0.425 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000592557620 397214663 /nfs/dbraw/zinc/21/46/63/397214663.db2.gz LJKVPYWXXBRYCL-WDEREUQCSA-N 1 0 308.342 0.034 20 5 DCBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000598669350 397272474 /nfs/dbraw/zinc/27/24/74/397272474.db2.gz IBIMFGHSYPGBGT-HZMBPMFUSA-N 1 0 307.354 0.866 20 5 DCBDRO C[NH+](C)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598894845 397304505 /nfs/dbraw/zinc/30/45/05/397304505.db2.gz TXLXJNGTZODTCY-UHFFFAOYSA-N 1 0 309.326 0.394 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2Cc3ccccc3O2)c1 ZINC000390964166 397304705 /nfs/dbraw/zinc/30/47/05/397304705.db2.gz LXKRGCOHZQLPNU-UONOGXRCSA-N 1 0 318.333 0.746 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913895 397306594 /nfs/dbraw/zinc/30/65/94/397306594.db2.gz RTLSDEIKYPGQEV-LBPRGKRZSA-N 1 0 322.321 0.028 20 5 DCBDRO [NH3+]CC[C@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000598913815 397306641 /nfs/dbraw/zinc/30/66/41/397306641.db2.gz OPZLWZGXLHQVAC-VIFPVBQESA-N 1 0 316.264 0.632 20 5 DCBDRO CN1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574392795 397261981 /nfs/dbraw/zinc/26/19/81/397261981.db2.gz HCWGBNGVQRSQFZ-WDEREUQCSA-N 1 0 309.322 0.155 20 5 DCBDRO COC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1C1CC1 ZINC000593128272 397331730 /nfs/dbraw/zinc/33/17/30/397331730.db2.gz CPFSDLJAMCZPQP-QWHCGFSZSA-N 1 0 308.338 0.922 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593461186 397370856 /nfs/dbraw/zinc/37/08/56/397370856.db2.gz MGLVFRGYNJYRJM-ZDUSSCGKSA-N 1 0 324.356 0.638 20 5 DCBDRO O=C(CC[NH2+]C[C@@H](O)[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000578323432 397420743 /nfs/dbraw/zinc/42/07/43/397420743.db2.gz IJSAZBFRJTYPFB-SMDDNHRTSA-N 1 0 323.349 0.910 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(N3CCOCC3)CC2)n1 ZINC000599474319 397452453 /nfs/dbraw/zinc/45/24/53/397452453.db2.gz OGYCKJAEZPHDTQ-UHFFFAOYSA-N 1 0 309.370 0.588 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593548642 397389332 /nfs/dbraw/zinc/38/93/32/397389332.db2.gz QAECXLAOUYHUAB-AWEZNQCLSA-N 1 0 313.329 0.705 20 5 DCBDRO CO[C@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOC1 ZINC000602437926 397402035 /nfs/dbraw/zinc/40/20/35/397402035.db2.gz FOLHSFBRZAQIQP-HNNXBMFYSA-N 1 0 322.365 0.917 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000602765909 397479384 /nfs/dbraw/zinc/47/93/84/397479384.db2.gz MEPWYTZIANJLJF-UHFFFAOYSA-N 1 0 322.369 0.589 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000602819405 397494988 /nfs/dbraw/zinc/49/49/88/397494988.db2.gz AXHLQUDGMXMZJA-LBPRGKRZSA-N 1 0 311.386 0.752 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000578892017 397498756 /nfs/dbraw/zinc/49/87/56/397498756.db2.gz VZTDECKASBYSDW-JGVFFNPUSA-N 1 0 312.301 0.914 20 5 DCBDRO C[NH+](C)C/C=C/C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000491883962 397505346 /nfs/dbraw/zinc/50/53/46/397505346.db2.gz LYWIXAIQJUJWCC-ONEGZZNKSA-N 1 0 319.365 0.756 20 5 DCBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599689298 397505953 /nfs/dbraw/zinc/50/59/53/397505953.db2.gz IRXHUEXNZQQLLH-CYBMUJFWSA-N 1 0 322.365 0.747 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ccccc2F)c1 ZINC000579911175 397597461 /nfs/dbraw/zinc/59/74/61/397597461.db2.gz PDETWNTUJBCEPC-GFCCVEGCSA-N 1 0 324.312 0.960 20 5 DCBDRO C[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC000603432514 397611339 /nfs/dbraw/zinc/61/13/39/397611339.db2.gz RNIVHPZJAKBXKZ-UHFFFAOYSA-N 1 0 310.358 0.527 20 5 DCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000609269797 397768341 /nfs/dbraw/zinc/76/83/41/397768341.db2.gz WWEJFAUZPMUQEI-LLVKDONJSA-N 1 0 311.342 0.018 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000609674472 397789917 /nfs/dbraw/zinc/78/99/17/397789917.db2.gz GWIQFENCJBFMOW-LBPRGKRZSA-N 1 0 308.386 0.545 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000610336519 397814770 /nfs/dbraw/zinc/81/47/70/397814770.db2.gz VCSOJKQIBAZLQL-GXTWGEPZSA-N 1 0 320.353 0.686 20 5 DCBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000113196651 158145244 /nfs/dbraw/zinc/14/52/44/158145244.db2.gz NYPPLFXNQDABOH-NSHDSACASA-N 1 0 310.358 0.567 20 5 DCBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173596558 158407043 /nfs/dbraw/zinc/40/70/43/158407043.db2.gz FCSAJBSAUDAXGF-LBPRGKRZSA-N 1 0 309.370 0.982 20 5 DCBDRO [NH3+]CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237847333 158642146 /nfs/dbraw/zinc/64/21/46/158642146.db2.gz BLGAXQJNQJIHAF-UHFFFAOYSA-N 1 0 312.351 0.290 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000320777057 159010868 /nfs/dbraw/zinc/01/08/68/159010868.db2.gz LUKUSPFPLLUDBY-NEPJUHHUSA-N 1 0 320.349 0.770 20 5 DCBDRO Cc1c(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-] ZINC000323037020 159012648 /nfs/dbraw/zinc/01/26/48/159012648.db2.gz ATVWSYZRPMTBAR-UHFFFAOYSA-N 1 0 318.333 0.590 20 5 DCBDRO C[NH+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000330367935 159164370 /nfs/dbraw/zinc/16/43/70/159164370.db2.gz IHVSLMQSEOMTIM-UHFFFAOYSA-N 1 0 307.354 0.986 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368050084 159371685 /nfs/dbraw/zinc/37/16/85/159371685.db2.gz YPOHUGKVNFLIHK-MNOVXSKESA-N 1 0 320.349 0.770 20 5 DCBDRO O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000377679268 159933837 /nfs/dbraw/zinc/93/38/37/159933837.db2.gz NHYPHHZPRPTJBP-ZIAGYGMSSA-N 1 0 304.350 0.827 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000408054604 160024340 /nfs/dbraw/zinc/02/43/40/160024340.db2.gz SWKFCNUJDNSPNT-QWRGUYRKSA-N 1 0 307.354 0.885 20 5 DCBDRO C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[NH2+]1 ZINC000420342162 287292659 /nfs/dbraw/zinc/29/26/59/287292659.db2.gz WUOZJVQNERQQPO-RISCZKNCSA-N 1 0 304.350 0.994 20 5 DCBDRO CNC(=O)N[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000342364023 415155046 /nfs/dbraw/zinc/15/50/46/415155046.db2.gz PCBFWHTVNCFTGY-LLVKDONJSA-N 1 0 308.338 0.977 20 5 DCBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352394859 415162357 /nfs/dbraw/zinc/16/23/57/415162357.db2.gz VSPRDODQYAWKQR-UHFFFAOYSA-N 1 0 318.337 0.917 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000420410321 287295854 /nfs/dbraw/zinc/29/58/54/287295854.db2.gz ACFRJAQWMBMTGM-GFCCVEGCSA-N 1 0 313.379 0.666 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420414779 287296872 /nfs/dbraw/zinc/29/68/72/287296872.db2.gz HQPFZVWPAWFYSG-LLVKDONJSA-N 1 0 315.395 0.912 20 5 DCBDRO C[C@]1(CCCO)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352884923 415361505 /nfs/dbraw/zinc/36/15/05/415361505.db2.gz BQRXUOPYJPBAMQ-ZIAGYGMSSA-N 1 0 312.370 0.779 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353250390 415486548 /nfs/dbraw/zinc/48/65/48/415486548.db2.gz MQCRDKKAJQLFOY-VIFPVBQESA-N 1 0 317.371 0.089 20 5 DCBDRO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1C[C@@H](C)O ZINC000114709514 415721897 /nfs/dbraw/zinc/72/18/97/415721897.db2.gz FWYBITBQPLIYHG-PWSUYJOCSA-N 1 0 311.386 0.918 20 5 DCBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301177595 416075708 /nfs/dbraw/zinc/07/57/08/416075708.db2.gz GSTADDGZBHMUTB-UHFFFAOYSA-N 1 0 319.365 0.734 20 5 DCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000159100567 416006568 /nfs/dbraw/zinc/00/65/68/416006568.db2.gz CIGPQBUIKKEFIS-NSHDSACASA-N 1 0 309.370 0.984 20 5 DCBDRO COC(=O)CNC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363735 416084852 /nfs/dbraw/zinc/08/48/52/416084852.db2.gz WVZIAKRZGWBHKU-LLVKDONJSA-N 1 0 323.349 0.747 20 5 DCBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000331272426 416298214 /nfs/dbraw/zinc/29/82/14/416298214.db2.gz GVRQQCWGXHPAQG-SNVBAGLBSA-N 1 0 310.354 0.840 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000415501455 416345695 /nfs/dbraw/zinc/34/56/95/416345695.db2.gz MKXASOPLPSMXTJ-SNVBAGLBSA-N 1 0 310.310 0.713 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]([NH3+])CC ZINC000415779530 416353889 /nfs/dbraw/zinc/35/38/89/416353889.db2.gz HNWJYAGYOOTSGF-SNVBAGLBSA-N 1 0 308.338 0.949 20 5 DCBDRO Cc1c(C(=O)NCCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000237782216 416328829 /nfs/dbraw/zinc/32/88/29/416328829.db2.gz IIEKCHOZXWEMGC-UHFFFAOYSA-N 1 0 306.366 0.928 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419035970 416396018 /nfs/dbraw/zinc/39/60/18/416396018.db2.gz FVXQJKLVHSGHNT-GFCCVEGCSA-N 1 0 320.349 0.107 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000535706574 416523621 /nfs/dbraw/zinc/52/36/21/416523621.db2.gz HCBUEIPPIKOKJP-LBPRGKRZSA-N 1 0 324.381 0.900 20 5 DCBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@H]1C[NH2+]CCO1 ZINC000592070794 416539683 /nfs/dbraw/zinc/53/96/83/416539683.db2.gz XFCHAEOGLYGCPK-GFCCVEGCSA-N 1 0 317.305 0.912 20 5 DCBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000423723544 416550711 /nfs/dbraw/zinc/55/07/11/416550711.db2.gz LQZCAWQSBPPPTJ-QMTHXVAHSA-N 1 0 301.306 1.409 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595952981 416572999 /nfs/dbraw/zinc/57/29/99/416572999.db2.gz VYEBPTDHOWCTOT-GZMMTYOYSA-N 1 0 305.294 0.773 20 5 DCBDRO Nc1nc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000596570418 416584063 /nfs/dbraw/zinc/58/40/63/416584063.db2.gz KPCXFGUISRLXDL-NSHDSACASA-N 1 0 306.370 0.923 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000556976405 416721741 /nfs/dbraw/zinc/72/17/41/416721741.db2.gz ORBHZLOWGLDASA-KBPBESRZSA-N 1 0 322.365 0.530 20 5 DCBDRO O=C(CC[N@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166776 416764484 /nfs/dbraw/zinc/76/44/84/416764484.db2.gz VNSDCNWQQURGIR-RISCZKNCSA-N 1 0 323.349 0.599 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429052303 287333334 /nfs/dbraw/zinc/33/33/34/287333334.db2.gz KMOXYLYWAWMHHJ-VHSXEESVSA-N 1 0 324.337 0.646 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H]1CCC[NH2+]C1 ZINC000428136304 416878274 /nfs/dbraw/zinc/87/82/74/416878274.db2.gz TZLKYPLVTAONPO-LLVKDONJSA-N 1 0 321.333 0.777 20 5 DCBDRO CC(C)([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429661703 287340237 /nfs/dbraw/zinc/34/02/37/287340237.db2.gz BNNPBYMATXZQOR-VIFPVBQESA-N 1 0 324.337 0.646 20 5 DCBDRO O=C(C[NH2+]C[C@H]1CCCO1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521861041 417029566 /nfs/dbraw/zinc/02/95/66/417029566.db2.gz VGDRDAYUVYXFMN-CQSZACIVSA-N 1 0 323.349 0.858 20 5 DCBDRO O=C1[C@@H](N2CCC[NH2+]CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000430967791 417092534 /nfs/dbraw/zinc/09/25/34/417092534.db2.gz UYXPCTZYBFKGBM-AWEZNQCLSA-N 1 0 304.350 0.995 20 5 DCBDRO C[NH2+][C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430626746 287348034 /nfs/dbraw/zinc/34/80/34/287348034.db2.gz SEJDQIOSTZQGLH-GFCCVEGCSA-N 1 0 304.350 0.778 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNS(C)(=O)=O ZINC000449057956 417117641 /nfs/dbraw/zinc/11/76/41/417117641.db2.gz FRSSAHFYQVMWGZ-SNVBAGLBSA-N 1 0 301.368 0.665 20 5 DCBDRO CC1=CC[N@H+](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000568412283 417135379 /nfs/dbraw/zinc/13/53/79/417135379.db2.gz QQCKYXZXXYVBMI-UHFFFAOYSA-N 1 0 305.338 0.954 20 5 DCBDRO O=C1NCCC[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000568483121 417141843 /nfs/dbraw/zinc/14/18/43/417141843.db2.gz GFQOPYSBYYCTPE-LBPRGKRZSA-N 1 0 319.365 0.638 20 5 DCBDRO CC(C)(C(=O)N[C@H]1C[NH2+]CCC1(F)F)n1cc([N+](=O)[O-])cn1 ZINC000449661066 417162210 /nfs/dbraw/zinc/16/22/10/417162210.db2.gz HRKUZDACNFVMPW-VIFPVBQESA-N 1 0 317.296 0.640 20 5 DCBDRO CC(C)(C(=O)N[C@@H]1C[NH2+]CCC1(F)F)n1cc([N+](=O)[O-])cn1 ZINC000449661055 417159823 /nfs/dbraw/zinc/15/98/23/417159823.db2.gz HRKUZDACNFVMPW-SECBINFHSA-N 1 0 317.296 0.640 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000415308649 417362411 /nfs/dbraw/zinc/36/24/11/417362411.db2.gz ZEWVMYMXRMPMIZ-JTQLQIEISA-N 1 0 306.322 0.662 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451100073 417299316 /nfs/dbraw/zinc/29/93/16/417299316.db2.gz PTQLDPXLARIDFR-WFASDCNBSA-N 1 0 309.366 0.939 20 5 DCBDRO Cc1cc(C[C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000571198744 417432663 /nfs/dbraw/zinc/43/26/63/417432663.db2.gz XJGQKPHYONPVIQ-RNCFNFMXSA-N 1 0 308.342 0.405 20 5 DCBDRO O=C1NC(=O)[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000451625088 417367348 /nfs/dbraw/zinc/36/73/48/417367348.db2.gz OWINFNAUSFRLBR-AOOOYVTPSA-N 1 0 305.290 0.178 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000575329775 417528159 /nfs/dbraw/zinc/52/81/59/417528159.db2.gz QMIONCPVYRRELP-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC[C@H]2C2CC2)c1 ZINC000576467313 417612191 /nfs/dbraw/zinc/61/21/91/417612191.db2.gz WQAXXCSQZORCSC-OLZOCXBDSA-N 1 0 312.395 0.980 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237852289 261163045 /nfs/dbraw/zinc/16/30/45/261163045.db2.gz SJLGYMQUTPBXAW-JTQLQIEISA-N 1 0 301.306 0.954 20 5 DCBDRO O=C([C@@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000314996450 261174542 /nfs/dbraw/zinc/17/45/42/261174542.db2.gz BLSLQNQRIWJEAK-LBPRGKRZSA-N 1 0 305.338 0.390 20 5 DCBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCS(=O)(=O)CC1 ZINC000354407872 261215532 /nfs/dbraw/zinc/21/55/32/261215532.db2.gz KTWIAZUQZIEPJL-JTQLQIEISA-N 1 0 316.383 0.594 20 5 DCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1[nH]ncc1[N+](=O)[O-] ZINC000354421237 261217442 /nfs/dbraw/zinc/21/74/42/261217442.db2.gz NWRBHAXKFYVYSU-JTQLQIEISA-N 1 0 310.358 0.074 20 5 DCBDRO Cc1c(CC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358053461 261621266 /nfs/dbraw/zinc/62/12/66/261621266.db2.gz IRBUEUGIMRDVNI-HNNXBMFYSA-N 1 0 307.350 0.629 20 5 DCBDRO [NH3+]C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000358131780 261637304 /nfs/dbraw/zinc/63/73/04/261637304.db2.gz WDVVWLAFTNNOTG-GFCCVEGCSA-N 1 0 319.321 0.804 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)N(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC000417844491 262263615 /nfs/dbraw/zinc/26/36/15/262263615.db2.gz HNWMHBZWNQOIIJ-LLVKDONJSA-N 1 0 310.354 0.927 20 5 DCBDRO C[C@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC000418085747 262269693 /nfs/dbraw/zinc/26/96/93/262269693.db2.gz WOLDAQKOQCRPGG-VIFPVBQESA-N 1 0 318.337 0.974 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418925633 262298466 /nfs/dbraw/zinc/29/84/66/262298466.db2.gz SESKLQJLMXFSDC-GFCCVEGCSA-N 1 0 320.349 0.203 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419157766 262314771 /nfs/dbraw/zinc/31/47/71/262314771.db2.gz WPYSFYDKZCWLMG-QWRGUYRKSA-N 1 0 320.349 0.592 20 5 DCBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000420005590 262357095 /nfs/dbraw/zinc/35/70/95/262357095.db2.gz XQRYRUBNGAAIGJ-CYBMUJFWSA-N 1 0 312.326 0.128 20 5 DCBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000420005591 262357280 /nfs/dbraw/zinc/35/72/80/262357280.db2.gz XQRYRUBNGAAIGJ-ZDUSSCGKSA-N 1 0 312.326 0.128 20 5 DCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000420250361 262367623 /nfs/dbraw/zinc/36/76/23/262367623.db2.gz SVMZNEUHKNVYQB-NSHDSACASA-N 1 0 307.354 0.814 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+]CCN2C)c1 ZINC000420263613 262368466 /nfs/dbraw/zinc/36/84/66/262368466.db2.gz CEHQFZAVGDXANB-LLVKDONJSA-N 1 0 308.338 0.697 20 5 DCBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000420393450 262373282 /nfs/dbraw/zinc/37/32/82/262373282.db2.gz QOIAZQGBDTYMTK-RISCZKNCSA-N 1 0 322.365 0.971 20 5 DCBDRO [NH3+][C@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420403915 262373970 /nfs/dbraw/zinc/37/39/70/262373970.db2.gz LQYYLZMMRSUDQO-LBPRGKRZSA-N 1 0 313.379 0.890 20 5 DCBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000420466357 262374259 /nfs/dbraw/zinc/37/42/59/262374259.db2.gz AUAVTWMWHRZGQT-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000358655971 271063178 /nfs/dbraw/zinc/06/31/78/271063178.db2.gz YUNQDWFJHABFEG-OAHLLOKOSA-N 1 0 322.365 0.503 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000422726850 271380542 /nfs/dbraw/zinc/38/05/42/271380542.db2.gz GCSRSPXDAMCNDL-GFCCVEGCSA-N 1 0 320.349 0.501 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000429032098 271444156 /nfs/dbraw/zinc/44/41/56/271444156.db2.gz WFAVJCYGXUNWSH-MNOVXSKESA-N 1 0 324.385 0.634 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435245792 271558193 /nfs/dbraw/zinc/55/81/93/271558193.db2.gz DNSVUWXGOYQQFS-LBPRGKRZSA-N 1 0 307.354 0.843 20 5 DCBDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459786601 272009058 /nfs/dbraw/zinc/00/90/58/272009058.db2.gz BUVCWVQFJUCCNX-UHIISALHSA-N 1 0 312.322 0.338 20 5 DCBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CCO)CC3)nc2c1 ZINC000274840071 275037535 /nfs/dbraw/zinc/03/75/35/275037535.db2.gz OIAZRZIGEUJDBY-UHFFFAOYSA-N 1 0 305.338 0.976 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000342707509 277131854 /nfs/dbraw/zinc/13/18/54/277131854.db2.gz STPBRYODZDQITJ-RYUDHWBXSA-N 1 0 306.322 0.213 20 5 DCBDRO [NH3+][C@@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000261993246 279666901 /nfs/dbraw/zinc/66/69/01/279666901.db2.gz YRIXGMDIRSIQNU-JTQLQIEISA-N 1 0 307.306 0.833 20 5 DCBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555290533 288348008 /nfs/dbraw/zinc/34/80/08/288348008.db2.gz MBAXXZWHVZLUIS-SNVBAGLBSA-N 1 0 310.358 0.074 20 5 DCBDRO CCC(O)(CC)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563003055 288615062 /nfs/dbraw/zinc/61/50/62/288615062.db2.gz OHTVQBUBIQGVOI-GFCCVEGCSA-N 1 0 300.359 0.683 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000563431926 288674307 /nfs/dbraw/zinc/67/43/07/288674307.db2.gz OGNZRPBHPWMMBU-ONGXEEELSA-N 1 0 306.322 0.352 20 5 DCBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000564722774 288761873 /nfs/dbraw/zinc/76/18/73/288761873.db2.gz PZRYUOBCNRINKM-LBPRGKRZSA-N 1 0 318.337 0.565 20 5 DCBDRO C[NH+](C)[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000132764418 289354089 /nfs/dbraw/zinc/35/40/89/289354089.db2.gz OEULACIUDVULOZ-GFCCVEGCSA-N 1 0 308.338 0.213 20 5 DCBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1[NH3+] ZINC000332003398 300189358 /nfs/dbraw/zinc/18/93/58/300189358.db2.gz PQUAHXHXHUROGT-WPRPVWTQSA-N 1 0 307.306 0.785 20 5 DCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000584303320 332231472 /nfs/dbraw/zinc/23/14/72/332231472.db2.gz QSAMQLPNVJBECV-LBPRGKRZSA-N 1 0 320.349 0.074 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 ZINC000570280849 332734831 /nfs/dbraw/zinc/73/48/31/332734831.db2.gz QIKYFTOTSYAMQM-MRVPVSSYSA-N 1 0 309.278 0.123 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577410610 341908748 /nfs/dbraw/zinc/90/87/48/341908748.db2.gz AEDHPJNOCYEGLF-RYUDHWBXSA-N 1 0 319.321 0.371 20 5 DCBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000160420845 521757629 /nfs/dbraw/zinc/75/76/29/521757629.db2.gz KDDWKHLQTSRPLU-UHFFFAOYSA-N 1 0 324.385 0.321 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000266713582 523780945 /nfs/dbraw/zinc/78/09/45/523780945.db2.gz JRQJPSRPAHMMHO-UHFFFAOYSA-N 1 0 307.350 0.710 20 5 DCBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415377743 534774346 /nfs/dbraw/zinc/77/43/46/534774346.db2.gz BLMWPDWCRXJWCA-GARJFASQSA-N 1 0 305.338 0.921 20 5 DCBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N1CC[NH+](C)CC1 ZINC000184403984 524714587 /nfs/dbraw/zinc/71/45/87/524714587.db2.gz PIGFAVPXPCDZIT-NSHDSACASA-N 1 0 321.381 0.543 20 5 DCBDRO CC(C)(C)[C@H](CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181481008 526692934 /nfs/dbraw/zinc/69/29/34/526692934.db2.gz CCLBVMADAZISAR-RYUDHWBXSA-N 1 0 300.359 0.539 20 5 DCBDRO [NH3+]CCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000160050468 527180298 /nfs/dbraw/zinc/18/02/98/527180298.db2.gz XEUBYYDUMGKYFP-UHFFFAOYSA-N 1 0 322.321 0.748 20 5 DCBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821241858 606719752 /nfs/dbraw/zinc/71/97/52/606719752.db2.gz PIOLKXQEWHPXRW-SCZZXKLOSA-N 1 0 318.341 0.922 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1nnc[nH]1 ZINC001022869272 658714612 /nfs/dbraw/zinc/71/46/12/658714612.db2.gz UWKBIMOWIPVRQW-DTORHVGOSA-N 1 0 322.350 0.825 20 5 DCBDRO Cc1nonc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983649106 661997009 /nfs/dbraw/zinc/99/70/09/661997009.db2.gz NXGRPRGQIPQVHD-DNRKLUKYSA-N 1 0 309.326 0.028 20 5 DCBDRO Cc1nccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983657730 662001735 /nfs/dbraw/zinc/00/17/35/662001735.db2.gz LZGRRASUGPKNFW-HKUMRIAESA-N 1 0 319.365 0.435 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000895009920 662042876 /nfs/dbraw/zinc/04/28/76/662042876.db2.gz HPFCAZAKJGKMCV-CQSZACIVSA-N 1 0 313.329 0.729 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896577849 662294921 /nfs/dbraw/zinc/29/49/21/662294921.db2.gz SMCPEMZJWRJCFS-RISCZKNCSA-N 1 0 321.381 0.662 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903875101 663491252 /nfs/dbraw/zinc/49/12/52/663491252.db2.gz MOQMGUKJUNLASX-NSHDSACASA-N 1 0 308.338 0.454 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905904683 663588084 /nfs/dbraw/zinc/58/80/84/663588084.db2.gz MQEDJEIKMATAJS-DZGCQCFKSA-N 1 0 310.350 0.929 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911936171 664126754 /nfs/dbraw/zinc/12/67/54/664126754.db2.gz YBXGASDRVIFTBT-UHFFFAOYSA-N 1 0 322.365 0.827 20 5 DCBDRO COc1ccc(C(=O)N(C)CC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912611652 664195644 /nfs/dbraw/zinc/19/56/44/664195644.db2.gz SAQNKGMEXSOPIM-UHFFFAOYSA-N 1 0 311.338 0.600 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000912612319 664195893 /nfs/dbraw/zinc/19/58/93/664195893.db2.gz NMNQHHJEKOPVHK-UHFFFAOYSA-N 1 0 311.338 0.356 20 5 DCBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000913537249 664338654 /nfs/dbraw/zinc/33/86/54/664338654.db2.gz DKXIKVAMMOTDLK-PHIMTYICSA-N 1 0 306.322 0.062 20 5 DCBDRO NC(=O)C(=O)N1CCC(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000998026112 665388845 /nfs/dbraw/zinc/38/88/45/665388845.db2.gz UUIQADFLRYVXFM-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO Cc1c(C[NH2+]C[C@@]2(CO)COCCN2C)cccc1[N+](=O)[O-] ZINC000922533833 666476670 /nfs/dbraw/zinc/47/66/70/666476670.db2.gz FFGPTQUEQADION-OAHLLOKOSA-N 1 0 309.366 0.686 20 5 DCBDRO Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000996428856 666790537 /nfs/dbraw/zinc/79/05/37/666790537.db2.gz JHLWPTWGNNAWKR-CHWSQXEVSA-N 1 0 307.354 0.166 20 5 DCBDRO Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428761 666790669 /nfs/dbraw/zinc/79/06/69/666790669.db2.gz HCHKDEQZHWTPHK-VXGBXAGGSA-N 1 0 308.338 0.729 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000923353203 667514672 /nfs/dbraw/zinc/51/46/72/667514672.db2.gz IHUQRLQNDVYLMC-CVEARBPZSA-N 1 0 320.393 0.608 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923353206 667514738 /nfs/dbraw/zinc/51/47/38/667514738.db2.gz IHUQRLQNDVYLMC-JKSUJKDBSA-N 1 0 320.393 0.608 20 5 DCBDRO C[C@]12C[NH2+]C[C@H]1CN(C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2 ZINC000923427156 667531300 /nfs/dbraw/zinc/53/13/00/667531300.db2.gz SMPBJLNBSIRWNX-WOSRLPQWSA-N 1 0 321.377 0.876 20 5 DCBDRO O=[N+]([O-])c1c(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)nc2sccn21 ZINC000872758315 667935949 /nfs/dbraw/zinc/93/59/49/667935949.db2.gz RKRPNGWNCIPDRL-VHSXEESVSA-N 1 0 323.378 0.949 20 5 DCBDRO Cc1cc(F)cc(C(=O)NC[C@H]2C[C@H](O)C[N@H+]2C)c1[N+](=O)[O-] ZINC000924992185 668262062 /nfs/dbraw/zinc/26/20/62/668262062.db2.gz ZIVWNBDHBPRISB-MNOVXSKESA-N 1 0 311.313 0.837 20 5 DCBDRO Cc1ccc(NC(=O)N2CCNCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000925893538 668355173 /nfs/dbraw/zinc/35/51/73/668355173.db2.gz DZWYXWMIBXYRDM-UHFFFAOYSA-N 1 0 307.354 0.930 20 5 DCBDRO Cc1cc(NC(=O)N2CCNCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000926086285 668373456 /nfs/dbraw/zinc/37/34/56/668373456.db2.gz KTNBZOABJVVRFP-UHFFFAOYSA-N 1 0 307.354 0.930 20 5 DCBDRO Cc1cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000762720879 668374444 /nfs/dbraw/zinc/37/44/44/668374444.db2.gz FHQVVSCDBFOXSG-AWEZNQCLSA-N 1 0 308.338 0.282 20 5 DCBDRO C[C@@H]1COC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000926150762 668379995 /nfs/dbraw/zinc/37/99/95/668379995.db2.gz NWFVBCMBAGURFN-ZWNOBZJWSA-N 1 0 314.363 0.993 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCN(CCCO)C3)C2)c1 ZINC000877558771 668628463 /nfs/dbraw/zinc/62/84/63/668628463.db2.gz NDNPKAROAOJCBC-HSBZDZAISA-N 1 0 323.397 0.931 20 5 DCBDRO Cc1ccc(C[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877721162 668642287 /nfs/dbraw/zinc/64/22/87/668642287.db2.gz YETAPBGKDIVRHK-TXEJJXNPSA-N 1 0 303.318 0.950 20 5 DCBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000931125433 669137481 /nfs/dbraw/zinc/13/74/81/669137481.db2.gz HXQXBZIEJAXWLA-GFCCVEGCSA-N 1 0 309.370 0.948 20 5 DCBDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000931393857 669188656 /nfs/dbraw/zinc/18/86/56/669188656.db2.gz MQRCEUCQHRBFIE-BETUJISGSA-N 1 0 304.350 0.972 20 5 DCBDRO Cc1nn(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794711863 669860827 /nfs/dbraw/zinc/86/08/27/669860827.db2.gz KZLPPHIBRJDBKG-AWEZNQCLSA-N 1 0 318.337 0.803 20 5 DCBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000850593980 670921308 /nfs/dbraw/zinc/92/13/08/670921308.db2.gz KGCCIJSRNXPROJ-MRVPVSSYSA-N 1 0 303.340 0.490 20 5 DCBDRO Cc1c(C(=O)NC[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818007594 670962219 /nfs/dbraw/zinc/96/22/19/670962219.db2.gz FEQQBIQVWLNBKF-JTQLQIEISA-N 1 0 324.293 0.530 20 5 DCBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000858608579 671020497 /nfs/dbraw/zinc/02/04/97/671020497.db2.gz UCHQCIOTDHKVEX-UHFFFAOYSA-N 1 0 317.371 0.219 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000819178384 671101099 /nfs/dbraw/zinc/10/10/99/671101099.db2.gz WSWOQKPECLQHNE-TUKIKUTGSA-N 1 0 309.366 0.937 20 5 DCBDRO COc1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000852820624 671166774 /nfs/dbraw/zinc/16/67/74/671166774.db2.gz SKGANQVCPJZFNI-VIFPVBQESA-N 1 0 308.294 0.323 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000820342413 671193776 /nfs/dbraw/zinc/19/37/76/671193776.db2.gz MNSVDGICNJUOQZ-AWEZNQCLSA-N 1 0 307.354 0.654 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000853337436 671228002 /nfs/dbraw/zinc/22/80/02/671228002.db2.gz IYJYAYYPRZMJRB-CQSZACIVSA-N 1 0 324.312 0.849 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000823641704 671403706 /nfs/dbraw/zinc/40/37/06/671403706.db2.gz KUZSORHJCJHUAB-QWRGUYRKSA-N 1 0 309.370 0.945 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000827191367 671518027 /nfs/dbraw/zinc/51/80/27/671518027.db2.gz CLGXKTSOFITDPY-GFCCVEGCSA-N 1 0 309.370 0.948 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000841147269 671915307 /nfs/dbraw/zinc/91/53/07/671915307.db2.gz AKJGKAGZCUFABE-SSDOTTSWSA-N 1 0 312.713 0.746 20 5 DCBDRO CCn1cc(S(=O)(=O)NCCCCCC[NH3+])c([N+](=O)[O-])n1 ZINC000842921412 672046999 /nfs/dbraw/zinc/04/69/99/672046999.db2.gz ZJTIKDZWPWYCSS-UHFFFAOYSA-N 1 0 319.387 0.609 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)c1ccccc1 ZINC000843060839 672057257 /nfs/dbraw/zinc/05/72/57/672057257.db2.gz CROCNRPYRIVOHN-NILFDRSVSA-N 1 0 320.349 0.864 20 5 DCBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CCO ZINC000843105848 672061962 /nfs/dbraw/zinc/06/19/62/672061962.db2.gz XWEQCUAHUYKHNP-KBPBESRZSA-N 1 0 323.349 0.201 20 5 DCBDRO COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCC[NH2+]1 ZINC000843476431 672101949 /nfs/dbraw/zinc/10/19/49/672101949.db2.gz DUAPZXROGWVMCQ-CQSZACIVSA-N 1 0 308.338 0.675 20 5 DCBDRO COc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001020139844 693710913 /nfs/dbraw/zinc/71/09/13/693710913.db2.gz ODHJCROSMFODOJ-YJFSRANCSA-N 1 0 310.310 0.085 20 5 DCBDRO CC1(C)C[NH2+]CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001576478820 1164359439 /nfs/dbraw/zinc/35/94/39/1164359439.db2.gz QAMIAHQLMURRLR-LLVKDONJSA-N 1 0 322.365 0.651 20 5 DCBDRO CCN1C[C@H](NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1=O ZINC001577759575 1164784074 /nfs/dbraw/zinc/78/40/74/1164784074.db2.gz HNNGBOWTVUOVAG-IAQYHMDHSA-N 1 0 320.349 0.506 20 5 DCBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001578942657 1165165052 /nfs/dbraw/zinc/16/50/52/1165165052.db2.gz DNKGHXKBOYWCKO-DZGCQCFKSA-N 1 0 322.365 0.890 20 5 DCBDRO COc1c(O)ccc(CN2CCC(O)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC001579136643 1165221421 /nfs/dbraw/zinc/22/14/21/1165221421.db2.gz PGKYTTIOLFAPJQ-UHFFFAOYSA-N 1 0 311.338 0.595 20 5 DCBDRO COc1ccc(NC(=O)CN2C[C@H]3CC[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001579226334 1165244779 /nfs/dbraw/zinc/24/47/79/1165244779.db2.gz PJROHVUSKAFRFF-QMTHXVAHSA-N 1 0 320.349 0.836 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC([NH3+])CC1 ZINC001579242693 1165248716 /nfs/dbraw/zinc/24/87/16/1165248716.db2.gz XWPCMGUMQFTHSY-UHFFFAOYSA-N 1 0 322.365 0.756 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC001579667929 1165373839 /nfs/dbraw/zinc/37/38/39/1165373839.db2.gz YFCXPPQDJMPCMN-VHRBIJSZSA-N 1 0 322.365 0.986 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH2+]C[C@H]2CO)c1 ZINC001579734758 1165384481 /nfs/dbraw/zinc/38/44/81/1165384481.db2.gz ZRECBAGNCJZMNQ-LBPRGKRZSA-N 1 0 323.349 0.465 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1C[NH2+]CCC1(F)F ZINC001580579067 1165643190 /nfs/dbraw/zinc/64/31/90/1165643190.db2.gz VCYYMUNOFCURTH-MRVPVSSYSA-N 1 0 303.269 0.152 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001580841214 1165733182 /nfs/dbraw/zinc/73/31/82/1165733182.db2.gz YHTUOFKEPZKZBP-CQSZACIVSA-N 1 0 304.306 0.133 20 5 DCBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590167042 1166796478 /nfs/dbraw/zinc/79/64/78/1166796478.db2.gz BLPYDFMHFZLRCW-CABZTGNLSA-N 1 0 318.337 0.978 20 5 DCBDRO CC[NH+](CC)CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590689682 1166974316 /nfs/dbraw/zinc/97/43/16/1166974316.db2.gz FVTVKEMHYQJTSK-UHFFFAOYSA-N 1 0 306.330 0.924 20 5 DCBDRO C[NH+](C)C[C@@H](CO)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591011479 1167078141 /nfs/dbraw/zinc/07/81/41/1167078141.db2.gz AZZLKMFVTDAQPX-VIFPVBQESA-N 1 0 307.314 0.109 20 5 DCBDRO C[N@H+]1C[C@H]2CN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196217 1167145354 /nfs/dbraw/zinc/14/53/54/1167145354.db2.gz HTWWIHJYALLNCC-PHIMTYICSA-N 1 0 315.337 0.773 20 5 DCBDRO C[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001591773895 1167374447 /nfs/dbraw/zinc/37/44/47/1167374447.db2.gz NAZJIKXYKOHFPO-OCAPTIKFSA-N 1 0 304.314 0.357 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CCC[C@@H]1CO ZINC001593480839 1167867482 /nfs/dbraw/zinc/86/74/82/1167867482.db2.gz CYRXGRTWLUDCLH-SECBINFHSA-N 1 0 304.310 0.732 20 5 DCBDRO COc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001596969931 1167999583 /nfs/dbraw/zinc/99/95/83/1167999583.db2.gz BPFZBJNYKUZRFP-IAQYHMDHSA-N 1 0 323.349 0.675 20 5 DCBDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603834352 1169408029 /nfs/dbraw/zinc/40/80/29/1169408029.db2.gz JTOWBUVERNLOQC-UWVGGRQHSA-N 1 0 318.337 0.978 20 5 DCBDRO CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H](C)CO ZINC001604322140 1169553414 /nfs/dbraw/zinc/55/34/14/1169553414.db2.gz WPOPAWMMFMBCCW-VIFPVBQESA-N 1 0 306.326 0.978 20 5 DCBDRO C[NH+](C)C[C@H](CO)Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001604678027 1169653218 /nfs/dbraw/zinc/65/32/18/1169653218.db2.gz UJGLOTYVWUCQOW-SECBINFHSA-N 1 0 307.314 0.109 20 5 DCBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609114716 1170814258 /nfs/dbraw/zinc/81/42/58/1170814258.db2.gz SUIQKMQHBLLZQZ-IUCAKERBSA-N 1 0 306.326 0.881 20 5 DCBDRO C[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC001609172884 1170842542 /nfs/dbraw/zinc/84/25/42/1170842542.db2.gz BCERFRYXTVVLJI-RNCFNFMXSA-N 1 0 318.337 0.978 20 5 DCBDRO CC[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001609202608 1170868092 /nfs/dbraw/zinc/86/80/92/1170868092.db2.gz MFAFNZKLFAVILF-RNCFNFMXSA-N 1 0 318.337 0.978 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001609266633 1170904212 /nfs/dbraw/zinc/90/42/12/1170904212.db2.gz WLWYEAJSURNQQC-ZDUSSCGKSA-N 1 0 321.341 0.499 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC001609599874 1171039552 /nfs/dbraw/zinc/03/95/52/1171039552.db2.gz FTDFALQLUBBXJY-SMDDNHRTSA-N 1 0 316.321 0.589 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@@H]21 ZINC001612770333 1171364162 /nfs/dbraw/zinc/36/41/62/1171364162.db2.gz ZFEPJTWAOQFZEY-CABZTGNLSA-N 1 0 305.338 0.619 20 5 DCBDRO C[C@H]1[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001612939397 1171365478 /nfs/dbraw/zinc/36/54/78/1171365478.db2.gz CHMAUODMQVSLQV-WPRPVWTQSA-N 1 0 314.367 0.747 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](CO)[C@H]3CCOC3)C2)c1 ZINC001621286382 1171408604 /nfs/dbraw/zinc/40/86/04/1171408604.db2.gz XSKVXLARCUTWSD-ZSVAQUKISA-N 1 0 310.354 0.729 20 5 DCBDRO CCO[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C[NH+](C)C ZINC001623261462 1171435133 /nfs/dbraw/zinc/43/51/33/1171435133.db2.gz RECVBJQPUIKDJT-SNVBAGLBSA-N 1 0 311.342 0.500 20 5 DCBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001628045376 1171517751 /nfs/dbraw/zinc/51/77/51/1171517751.db2.gz HFGJPSOHWZCWLY-UHFFFAOYSA-N 1 0 311.342 0.283 20 5 DCBDRO CN(C(=O)c1cnc(N)c([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC001628115682 1171520381 /nfs/dbraw/zinc/52/03/81/1171520381.db2.gz RQDPINZCQOIASW-LBPRGKRZSA-N 1 0 305.338 0.738 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCCN2CC[NH+](C)CC2)n1 ZINC001629018558 1171541207 /nfs/dbraw/zinc/54/12/07/1171541207.db2.gz IQKAUCKYBLHUST-UHFFFAOYSA-N 1 0 307.354 0.275 20 5 DCBDRO C[C@H]1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001631783159 1171600197 /nfs/dbraw/zinc/60/01/97/1171600197.db2.gz AYTBWTSWHGSDIP-RFQIPJPRSA-N 1 0 310.398 0.136 20 5 DCBDRO CCO[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001637702735 1171775360 /nfs/dbraw/zinc/77/53/60/1171775360.db2.gz JNCBHQLRQXKPBW-SNVBAGLBSA-N 1 0 312.326 0.392 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCc2ccnc(N)c2C1 ZINC001642211947 1171939040 /nfs/dbraw/zinc/93/90/40/1171939040.db2.gz HOTKYENLSXMSAL-UHFFFAOYSA-N 1 0 316.321 0.662 20 5 DCBDRO NC(=O)c1ccnc(NC[C@@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC001642713785 1171953676 /nfs/dbraw/zinc/95/36/76/1171953676.db2.gz YTUNQGQJWPDNJK-JTQLQIEISA-N 1 0 323.353 0.347 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)n1 ZINC001643089209 1171964572 /nfs/dbraw/zinc/96/45/72/1171964572.db2.gz HKHYSSKEWRVZRK-RYUDHWBXSA-N 1 0 322.365 0.825 20 5 DCBDRO Cc1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)c(N)c1[N+](=O)[O-] ZINC001653218154 1173782635 /nfs/dbraw/zinc/78/26/35/1173782635.db2.gz VDENLEHCELWPNF-JQWIXIFHSA-N 1 0 319.365 0.812 20 5 DCBDRO Cc1ccc(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)c(N)c1[N+](=O)[O-] ZINC001653218147 1173782681 /nfs/dbraw/zinc/78/26/81/1173782681.db2.gz VDENLEHCELWPNF-CMPLNLGQSA-N 1 0 319.365 0.812 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC001655019274 1173815063 /nfs/dbraw/zinc/81/50/63/1173815063.db2.gz RZXXMPZMQQRNBJ-UHFFFAOYSA-N 1 0 322.413 0.792 20 5 DCBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)c1 ZINC001656257569 1173854973 /nfs/dbraw/zinc/85/49/73/1173854973.db2.gz DAKWNVJWTZKUJZ-LBPRGKRZSA-N 1 0 300.336 0.234 20 5 DCBDRO COc1cc(C[NH2+]C[C@H](O)c2ccnn2C)c([N+](=O)[O-])cc1O ZINC001657031452 1173904398 /nfs/dbraw/zinc/90/43/98/1173904398.db2.gz OSGUQAPBYHMBCN-ZDUSSCGKSA-N 1 0 322.321 0.866 20 5 DCBDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659064045 1173929525 /nfs/dbraw/zinc/92/95/25/1173929525.db2.gz IQLCEGHDSKRNNZ-STQMWFEESA-N 1 0 324.381 0.143 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2C[C@@H]3COC[C@@H]32)cc1 ZINC001659972533 1173938056 /nfs/dbraw/zinc/93/80/56/1173938056.db2.gz NEBVSASGLJFFID-BGNCJLHMSA-N 1 0 308.334 0.614 20 5 DCBDRO CCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCCO)CC1 ZINC001690134272 1177178305 /nfs/dbraw/zinc/17/83/05/1177178305.db2.gz MBJIGSFYMJDOCO-ZIAGYGMSSA-N 1 0 313.398 0.737 20 5 DCBDRO CC[NH2+]CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000151341149 1180541061 /nfs/dbraw/zinc/54/10/61/1180541061.db2.gz GJWHWWXDSIKFOV-SNVBAGLBSA-N 1 0 308.338 0.439 20 5 DCBDRO COc1ncccc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713591348 1180950472 /nfs/dbraw/zinc/95/04/72/1180950472.db2.gz KJYQSGYLSRVLJD-VXGBXAGGSA-N 1 0 308.338 0.303 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1ncnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001734017473 1186521965 /nfs/dbraw/zinc/52/19/65/1186521965.db2.gz NNUBRKUFYOQHDR-GHMZBOCLSA-N 1 0 324.385 0.055 20 5 DCBDRO C[NH+](C)CCC(=O)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001753386137 1187956282 /nfs/dbraw/zinc/95/62/82/1187956282.db2.gz TUXQMVWCFQPPJE-UHFFFAOYSA-N 1 0 306.366 0.847 20 5 DCBDRO CCN(CC[NH2+]Cc1ncccc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754045253 1188720646 /nfs/dbraw/zinc/72/06/46/1188720646.db2.gz JSJKOVKVSOENHS-TZMCWYRMSA-N 1 0 306.366 0.993 20 5 DCBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921940 721868339 /nfs/dbraw/zinc/86/83/39/721868339.db2.gz FDNJRWZFMPDFFH-OLZOCXBDSA-N 1 0 320.397 0.787 20 5 DCBDRO Cc1c(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nnn1C ZINC001125175279 751831157 /nfs/dbraw/zinc/83/11/57/751831157.db2.gz QNHQXOHTRWJYPU-UHFFFAOYSA-N 1 0 318.337 0.551 20 5 DCBDRO COCC[NH2+]CCNC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001579047428 1165194683 /nfs/dbraw/zinc/19/46/83/1165194683.db2.gz UTMZVSZEVZRRIE-UHFFFAOYSA-N 1 0 310.354 0.938 20 5 DCBDRO [NH3+][C@H]1CN(c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])C[C@H]1O ZINC001167089147 746968328 /nfs/dbraw/zinc/96/83/28/746968328.db2.gz PKQQKKQYGWLYDU-WRWORJQWSA-N 1 0 309.713 0.700 20 5 DCBDRO O=[N+]([O-])c1c(N2C[C@H]3[C@H](CF)[C@H]3C2)ncnc1N1CC[NH2+]CC1 ZINC001167222434 747025083 /nfs/dbraw/zinc/02/50/83/747025083.db2.gz QBOMIMFBFVHFTO-RTCCRHLQSA-N 1 0 322.344 0.446 20 5 DCBDRO Cc1cc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])nn1C ZINC001167765454 748144444 /nfs/dbraw/zinc/14/44/44/748144444.db2.gz KZRISBNETNWBFW-UHFFFAOYSA-N 1 0 303.326 0.726 20 5 DCBDRO O=C(CCn1ccnn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126270638 748354684 /nfs/dbraw/zinc/35/46/84/748354684.db2.gz WTTRERNXMMLAIP-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO Cc1nnc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]1 ZINC001126907097 750101843 /nfs/dbraw/zinc/10/18/43/750101843.db2.gz GJWRWQZHDMQEDO-UHFFFAOYSA-N 1 0 318.337 0.470 20 5 DCBDRO O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCO)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001048525224 754791393 /nfs/dbraw/zinc/79/13/93/754791393.db2.gz PFBLMCVOKBIQGQ-XVIXHAIJSA-N 1 0 311.382 0.393 20 5 DCBDRO [NH3+][C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC001165147436 757248550 /nfs/dbraw/zinc/24/85/50/757248550.db2.gz IPUYNMQWZLPLFJ-SVRRBLITSA-N 1 0 308.672 0.696 20 5 DCBDRO COc1ccc(C[C@H](C)N2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170351730 762625257 /nfs/dbraw/zinc/62/52/57/762625257.db2.gz HIJBZRQGDAKWFD-HZMBPMFUSA-N 1 0 323.349 0.721 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(=O)[nH]n1 ZINC001123091320 767925950 /nfs/dbraw/zinc/92/59/50/767925950.db2.gz OZMANJQMZCBRSN-UHFFFAOYSA-N 1 0 317.305 0.610 20 5 DCBDRO [NH3+]CCN(CCO)c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1 ZINC001155953546 760262037 /nfs/dbraw/zinc/26/20/37/760262037.db2.gz WRSKBJKNRXVMPF-UHFFFAOYSA-N 1 0 303.322 0.809 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccncn1 ZINC001168804046 760463011 /nfs/dbraw/zinc/46/30/11/760463011.db2.gz FFOQAJNJHJEAPR-UHFFFAOYSA-N 1 0 319.325 0.028 20 5 DCBDRO COC(=O)c1cc(C)nc(-n2cc(CC[NH3+])cn2)c1[N+](=O)[O-] ZINC001168946538 760520195 /nfs/dbraw/zinc/52/01/95/760520195.db2.gz LXYFLXVJSKCIBA-UHFFFAOYSA-N 1 0 305.294 0.772 20 5 DCBDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985093 760531376 /nfs/dbraw/zinc/53/13/76/760531376.db2.gz CUBNAZBNSQIMAY-UKKRHICBSA-N 1 0 301.343 0.088 20 5 DCBDRO CCOC(=O)[C@@H]1CCOC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168991547 760538024 /nfs/dbraw/zinc/53/80/24/760538024.db2.gz HIHFTFQISRYDQI-LPWJVIDDSA-N 1 0 300.355 0.990 20 5 DCBDRO CN1Cc2cc(-n3cncc3C[C@@H]([NH3+])CO)cc([N+](=O)[O-])c2N1 ZINC001169076462 760561593 /nfs/dbraw/zinc/56/15/93/760561593.db2.gz TWNKEBOIWWISGR-SNVBAGLBSA-N 1 0 318.337 0.415 20 5 DCBDRO NC(=O)c1nc(NCC23CC[NH+](CC2)CC3)ccc1[N+](=O)[O-] ZINC001169793162 760860653 /nfs/dbraw/zinc/86/06/53/760860653.db2.gz MEUBYVNNXYHHPK-UHFFFAOYSA-N 1 0 305.338 0.987 20 5 DCBDRO Cc1cc(N(C)CCNC(=O)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001100115304 763326259 /nfs/dbraw/zinc/32/62/59/763326259.db2.gz JOJSKTKVOXOBEG-UHFFFAOYSA-N 1 0 321.381 0.946 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2nc(CC[NH3+])nc2C)n1 ZINC001158132743 763542089 /nfs/dbraw/zinc/54/20/89/763542089.db2.gz QBEOGHZABIAEAZ-UHFFFAOYSA-N 1 0 320.313 0.042 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnns1 ZINC001124164265 768155894 /nfs/dbraw/zinc/15/58/94/768155894.db2.gz VQUYRUPBZNHIOM-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO CCOC(=O)c1ccc(N[C@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170783213 765754070 /nfs/dbraw/zinc/75/40/70/765754070.db2.gz QTSXMQFRAQLKFB-JQWIXIFHSA-N 1 0 309.322 0.764 20 5 DCBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CC=CC1 ZINC001116631804 765890086 /nfs/dbraw/zinc/89/00/86/765890086.db2.gz NTXVLLNSVRHMGK-UHFFFAOYSA-N 1 0 318.333 0.313 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)Cn1c(C)ncc1[N+](=O)[O-] ZINC001136211184 766260317 /nfs/dbraw/zinc/26/03/17/766260317.db2.gz IJUSWSLWLSVJQU-UHFFFAOYSA-N 1 0 313.358 0.184 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1c(Cl)cncc1[N+](=O)[O-] ZINC001170995812 766386258 /nfs/dbraw/zinc/38/62/58/766386258.db2.gz WKGCDPKNJZYEIO-UHFFFAOYSA-N 1 0 302.718 0.971 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001170996085 766388470 /nfs/dbraw/zinc/38/84/70/766388470.db2.gz HXHBSBCOFJGGTJ-UHFFFAOYSA-N 1 0 322.321 0.166 20 5 DCBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c(F)c1 ZINC001580875904 1165748533 /nfs/dbraw/zinc/74/85/33/1165748533.db2.gz ULIKTYVAHLTKEL-VIFPVBQESA-N 1 0 320.298 0.431 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001121291694 767499878 /nfs/dbraw/zinc/49/98/78/767499878.db2.gz OSDPAGOSXYFIBO-QJPTWQEYSA-N 1 0 307.354 0.556 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-c2nn[nH]n2)cc1 ZINC001231073630 769165076 /nfs/dbraw/zinc/16/50/76/769165076.db2.gz MDQWXHGAEYKENX-LLVKDONJSA-N 1 0 306.346 0.229 20 5 DCBDRO NC(=O)C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172907249 769514265 /nfs/dbraw/zinc/51/42/65/769514265.db2.gz RLJOZKOBDWLOJG-YPMHNXCESA-N 1 0 320.349 0.161 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C(CO)(CO)CO)CC2 ZINC001172901004 769514479 /nfs/dbraw/zinc/51/44/79/769514479.db2.gz IOQKJGDZYKYHEZ-ZDUSSCGKSA-N 1 0 310.350 0.148 20 5 DCBDRO O=C(N[C@@H]1CCC[C@H]1[NH+]1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001175181129 769876770 /nfs/dbraw/zinc/87/67/70/769876770.db2.gz RWIGAGHPLNOQAE-VXGBXAGGSA-N 1 0 323.353 0.426 20 5 DCBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)no1 ZINC001154434224 770178913 /nfs/dbraw/zinc/17/89/13/770178913.db2.gz VPXONNGOHWORFM-UHFFFAOYSA-N 1 0 322.325 0.534 20 5 DCBDRO O=C1CCCCN1CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001154632497 770248986 /nfs/dbraw/zinc/24/89/86/770248986.db2.gz TYBZDPIHJVKIPL-UHFFFAOYSA-N 1 0 320.353 0.496 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001154765894 770288053 /nfs/dbraw/zinc/28/80/53/770288053.db2.gz LMMJUGMDTNHVQY-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCOC[C@H]2C[NH+](C)C)n1 ZINC001154984585 770359344 /nfs/dbraw/zinc/35/93/44/770359344.db2.gz JWPHUFSHDAQVPT-SNVBAGLBSA-N 1 0 324.337 0.543 20 5 DCBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)[nH]n1 ZINC001155191327 770425984 /nfs/dbraw/zinc/42/59/84/770425984.db2.gz HCXFUDWGHPAFLQ-UHFFFAOYSA-N 1 0 321.341 0.270 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001155375630 770481021 /nfs/dbraw/zinc/48/10/21/770481021.db2.gz GFRAQLDFHUGHFI-CYBMUJFWSA-N 1 0 321.381 0.396 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001155393531 770488987 /nfs/dbraw/zinc/48/89/87/770488987.db2.gz CEDCNHRNCVYCOV-UHFFFAOYSA-N 1 0 307.289 0.826 20 5 DCBDRO COC(=O)c1cnc(N[C@@H]2COCCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155462019 770509820 /nfs/dbraw/zinc/50/98/20/770509820.db2.gz OAZKVIUCTAIRKK-LLVKDONJSA-N 1 0 322.321 0.567 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001155479036 770516443 /nfs/dbraw/zinc/51/64/43/770516443.db2.gz QXDNRYKJGAKEIS-NSHDSACASA-N 1 0 308.338 0.717 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cnc3cc([N+](=O)[O-])ccc3n2)N1 ZINC001155570399 770547651 /nfs/dbraw/zinc/54/76/51/770547651.db2.gz MSQLKJTUCPQFIP-FZMZJTMJSA-N 1 0 314.305 0.528 20 5 DCBDRO CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458485 770758960 /nfs/dbraw/zinc/75/89/60/770758960.db2.gz JAJRJMOGDQFEAO-VXGBXAGGSA-N 1 0 314.386 0.054 20 5 DCBDRO CNc1nccc(C(=O)NCCNc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC001182433926 771480355 /nfs/dbraw/zinc/48/03/55/771480355.db2.gz NBNIWADNQFBYCU-UHFFFAOYSA-N 1 0 316.321 0.690 20 5 DCBDRO CNC(=O)CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001157012175 771518061 /nfs/dbraw/zinc/51/80/61/771518061.db2.gz UHQMVYZMTSUMJR-UHFFFAOYSA-N 1 0 314.367 0.388 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC(=N)SCC[NH3+])n1 ZINC001157136146 771545406 /nfs/dbraw/zinc/54/54/06/771545406.db2.gz FALZFRPNNDKMPI-UHFFFAOYSA-N 1 0 313.343 0.690 20 5 DCBDRO COC(=O)c1ccnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001157988804 771708260 /nfs/dbraw/zinc/70/82/60/771708260.db2.gz ONARTXDZOKIGAW-SECBINFHSA-N 1 0 317.305 0.778 20 5 DCBDRO CCOC(=O)c1ccnc(-n2cc(CC[NH3+])cn2)c1[N+](=O)[O-] ZINC001158105438 771726931 /nfs/dbraw/zinc/72/69/31/771726931.db2.gz NCXBYSQOWHBECQ-UHFFFAOYSA-N 1 0 305.294 0.853 20 5 DCBDRO Cc1nc(N2CCO[C@@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158314901 771758088 /nfs/dbraw/zinc/75/80/88/771758088.db2.gz NPQFPHRMARIPSL-LBPRGKRZSA-N 1 0 307.354 0.994 20 5 DCBDRO COc1nc(N2CCC[C@@](C)(C[NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001158678388 771806793 /nfs/dbraw/zinc/80/67/93/771806793.db2.gz HJQIVTJKBCBVFC-ZDUSSCGKSA-N 1 0 311.342 0.967 20 5 DCBDRO COC(=O)c1cnc(-n2[nH]c(=O)c(CC[NH3+])c2C)c([N+](=O)[O-])c1 ZINC001159293084 771891544 /nfs/dbraw/zinc/89/15/44/771891544.db2.gz AVLKCISGMKPPRK-UHFFFAOYSA-N 1 0 321.293 0.477 20 5 DCBDRO COC(=O)[C@H]1C[C@H]1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001161048601 772158459 /nfs/dbraw/zinc/15/84/59/772158459.db2.gz KSUVZDYPDIDGHJ-CBAPKCEASA-N 1 0 307.310 0.293 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001161568037 772246229 /nfs/dbraw/zinc/24/62/29/772246229.db2.gz RAEDEOXXHSYSJH-UHFFFAOYSA-N 1 0 323.353 0.285 20 5 DCBDRO COC[C@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C1CC1 ZINC001161721629 772272463 /nfs/dbraw/zinc/27/24/63/772272463.db2.gz YOTNJTYPEULTFN-NSHDSACASA-N 1 0 322.369 0.631 20 5 DCBDRO [NH3+]C1CCN(CCNc2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1 ZINC001161867218 772291739 /nfs/dbraw/zinc/29/17/39/772291739.db2.gz DZUUCDHRUZQTJX-UHFFFAOYSA-N 1 0 315.761 0.717 20 5 DCBDRO COC(=O)c1ccc(C[NH3+])n1-c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001161939667 772303031 /nfs/dbraw/zinc/30/30/31/772303031.db2.gz PZXQWXMBONYWIF-UHFFFAOYSA-N 1 0 306.278 0.573 20 5 DCBDRO COc1nc(N[C@@H](C)CN2CC[NH2+]CC2)nc(C)c1[N+](=O)[O-] ZINC001162090819 772324428 /nfs/dbraw/zinc/32/44/28/772324428.db2.gz XHKOYCXGHUQBRX-VIFPVBQESA-N 1 0 310.358 0.407 20 5 DCBDRO COc1cc(C)c([N+](=O)[O-])cc1N(CC[NH3+])S(C)(=O)=O ZINC001162128517 772329992 /nfs/dbraw/zinc/32/99/92/772329992.db2.gz GPAMHLQSUMWUBO-UHFFFAOYSA-N 1 0 303.340 0.637 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ccc2nsnc2c1[N+](=O)[O-] ZINC001162129124 772330769 /nfs/dbraw/zinc/33/07/69/772330769.db2.gz SQZIUCAMPKYNMN-UHFFFAOYSA-N 1 0 317.352 0.324 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001162532119 772386721 /nfs/dbraw/zinc/38/67/21/772386721.db2.gz LNSWYXGYTHSUDN-UHFFFAOYSA-N 1 0 321.293 0.358 20 5 DCBDRO O=[N+]([O-])c1cc(N[C@H]2COCCC23C[NH2+]C3)cn2cnnc12 ZINC001163079040 772455397 /nfs/dbraw/zinc/45/53/97/772455397.db2.gz KCZSVVLHCWTLTH-NSHDSACASA-N 1 0 304.310 0.428 20 5 DCBDRO NC(=O)c1nc(NCC[C@@H]2CCOC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001163081245 772456502 /nfs/dbraw/zinc/45/65/02/772456502.db2.gz KLRVHEDBWFSHCF-SECBINFHSA-N 1 0 321.337 0.269 20 5 DCBDRO COC(=O)Cc1ccc(NC[C@@]23C[NH2+][C@@H](CO2)C3)cc1[N+](=O)[O-] ZINC001163203349 772481315 /nfs/dbraw/zinc/48/13/15/772481315.db2.gz JCYPGQYOBVGHCR-DOMZBBRYSA-N 1 0 321.333 0.853 20 5 DCBDRO CCOC(=O)c1cn(-c2ncc([N+](=O)[O-])c(OC)n2)nc1C[NH3+] ZINC001163520488 772533787 /nfs/dbraw/zinc/53/37/87/772533787.db2.gz FCDUUDYXROGIGK-UHFFFAOYSA-N 1 0 322.281 0.215 20 5 DCBDRO CCOC(=O)c1cn(-c2cc([N+](=O)[O-])cc[n+]2[O-])nc1C[NH3+] ZINC001163520453 772533790 /nfs/dbraw/zinc/53/37/90/772533790.db2.gz DTTFKFJHQGMNOT-UHFFFAOYSA-N 1 0 307.266 0.049 20 5 DCBDRO CCOC(=O)c1cn(-c2ncc([N+](=O)[O-])cc2N)nc1C[NH3+] ZINC001163522943 772534475 /nfs/dbraw/zinc/53/44/75/772534475.db2.gz UUTMCUABQHZILV-UHFFFAOYSA-N 1 0 306.282 0.393 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])cc1N[C@H]1CCCC[C@@]12C[NH2+]CCO2 ZINC001163650043 772552255 /nfs/dbraw/zinc/55/22/55/772552255.db2.gz JFUMIVCOVYQVAL-UONOGXRCSA-N 1 0 308.338 0.941 20 5 DCBDRO CC(C)(O)[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001190331352 772618793 /nfs/dbraw/zinc/61/87/93/772618793.db2.gz FOSSABFGQLCIAD-CQSZACIVSA-N 1 0 309.366 0.849 20 5 DCBDRO COC(=O)c1cnc(N2C[C@@H]3C[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165150815 772701732 /nfs/dbraw/zinc/70/17/32/772701732.db2.gz TXWKQCKRUYOXDO-QWRGUYRKSA-N 1 0 306.322 0.774 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC001165151473 772701789 /nfs/dbraw/zinc/70/17/89/772701789.db2.gz RQJSXBWSULUZRY-GHMZBOCLSA-N 1 0 320.353 0.649 20 5 DCBDRO COC(=O)c1cnc(-n2ncc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001165219470 772707436 /nfs/dbraw/zinc/70/74/36/772707436.db2.gz SPOTUERKSUOEFK-UHFFFAOYSA-N 1 0 303.278 0.608 20 5 DCBDRO O=[N+]([O-])c1cc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc2[nH]ccc21 ZINC001165283311 772716491 /nfs/dbraw/zinc/71/64/91/772716491.db2.gz RROULZSQBMVKQQ-OTYXRUKQSA-N 1 0 303.322 0.489 20 5 DCBDRO Cc1cnc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c([N+](=O)[O-])c1 ZINC001165343910 772725498 /nfs/dbraw/zinc/72/54/98/772725498.db2.gz LLUYXKMVHSXNPJ-OAHLLOKOSA-N 1 0 322.365 0.884 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3[NH2+]C[C@@H]32)n1 ZINC001165392611 772731953 /nfs/dbraw/zinc/73/19/53/772731953.db2.gz CNRQOQAAXQEVJS-UWVGGRQHSA-N 1 0 306.326 0.592 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCC[C@H](CCO)C2)nc1C1C[NH2+]C1 ZINC001166852779 772871477 /nfs/dbraw/zinc/87/14/77/772871477.db2.gz XWYUZLLMFSQDQH-SNVBAGLBSA-N 1 0 307.354 0.670 20 5 DCBDRO COc1cc(C)nc(N(C2C[NH2+]C2)S(C)(=O)=O)c1[N+](=O)[O-] ZINC001166969863 772893911 /nfs/dbraw/zinc/89/39/11/772893911.db2.gz ZBMMBZPWWLPSNR-UHFFFAOYSA-N 1 0 316.339 0.045 20 5 DCBDRO CNC(=O)N[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001193198969 773023478 /nfs/dbraw/zinc/02/34/78/773023478.db2.gz ZTSBWWIUBVXLJD-AAEUAGOBSA-N 1 0 308.338 0.632 20 5 DCBDRO CNC(=O)NC[C@@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC001196943428 773673346 /nfs/dbraw/zinc/67/33/46/773673346.db2.gz LYONKWLENDJROY-NSHDSACASA-N 1 0 310.358 0.612 20 5 DCBDRO CC(=O)N1CCC[C@H](COC(=O)C[C@@H](O)C[N+](C)(C)C)C1 ZINC001225176890 775651357 /nfs/dbraw/zinc/65/13/57/775651357.db2.gz QKBQKABBAMTOMN-UONOGXRCSA-N 1 0 301.407 0.245 20 5 DCBDRO Cc1c(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC001226216229 775783443 /nfs/dbraw/zinc/78/34/43/775783443.db2.gz IWAFVHWWBDJTFZ-ZDUSSCGKSA-N 1 0 322.365 0.769 20 5 DCBDRO COc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sn1 ZINC001317585299 945083839 /nfs/dbraw/zinc/08/38/39/945083839.db2.gz OUUJYGZSYWOBHW-NXEZZACHSA-N 1 0 314.367 0.365 20 5 DCBDRO COc1ccnc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001481229519 939654349 /nfs/dbraw/zinc/65/43/49/939654349.db2.gz QXZPPMPVOMPGPK-CHWSQXEVSA-N 1 0 308.338 0.303 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001246143879 945347914 /nfs/dbraw/zinc/34/79/14/945347914.db2.gz JVPKZLCEYSLOQN-WDBKCZKBSA-N 1 0 304.350 0.694 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001246143876 945348236 /nfs/dbraw/zinc/34/82/36/945348236.db2.gz JVPKZLCEYSLOQN-RIEGTJTDSA-N 1 0 304.350 0.694 20 5 DCBDRO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1cn[nH]n1 ZINC001277102846 944662215 /nfs/dbraw/zinc/66/22/15/944662215.db2.gz YMGILGXSPHKHBQ-UHFFFAOYSA-N 1 0 316.321 0.765 20 5 DCBDRO COc1ccc(C[C@@H](C)N2CC[C@@H](O)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246576276 945436148 /nfs/dbraw/zinc/43/61/48/945436148.db2.gz SJLDQQJWYZJUEY-WDBKCZKBSA-N 1 0 309.366 0.928 20 5 DCBDRO COC(=O)[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC001246933273 945522248 /nfs/dbraw/zinc/52/22/48/945522248.db2.gz RRENXBPILXTCBB-MJBXVCDLSA-N 1 0 305.334 0.494 20 5 DCBDRO N[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CCC[NH2+]C1 ZINC001249226577 945624539 /nfs/dbraw/zinc/62/45/39/945624539.db2.gz PQJIZIUIENXRAW-GFCCVEGCSA-N 1 0 308.273 0.716 20 5 DCBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001322682479 946767839 /nfs/dbraw/zinc/76/78/39/946767839.db2.gz XFWGLPLUZQOHML-STQMWFEESA-N 1 0 324.385 0.963 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001261475276 947309503 /nfs/dbraw/zinc/30/95/03/947309503.db2.gz SKRINBWNBMJICZ-LLVKDONJSA-N 1 0 308.338 0.826 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001326037123 948028465 /nfs/dbraw/zinc/02/84/65/948028465.db2.gz VXVFXYSIJURECH-GFCCVEGCSA-N 1 0 318.333 0.257 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1F)N1CC[NH2+]CC1 ZINC001328191109 948736875 /nfs/dbraw/zinc/73/68/75/948736875.db2.gz ZVFHBROJBGBGEU-UHFFFAOYSA-N 1 0 301.249 0.684 20 5 DCBDRO Cc1n[nH]c(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC001328828103 949119301 /nfs/dbraw/zinc/11/93/01/949119301.db2.gz QNPAXPCYIUCBKN-LLVKDONJSA-N 1 0 323.353 0.609 20 5 DCBDRO C[NH+](C)CC[C@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328839627 949128721 /nfs/dbraw/zinc/12/87/21/949128721.db2.gz FCKQBZAINJMYAP-AWEZNQCLSA-N 1 0 306.366 0.759 20 5 DCBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001576214234 950658231 /nfs/dbraw/zinc/65/82/31/950658231.db2.gz NOWQFGSMGQEUNL-TVQRCGJNSA-N 1 0 318.337 0.978 20 5 DCBDRO CC(C)([NH3+])CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331514264 951152646 /nfs/dbraw/zinc/15/26/46/951152646.db2.gz JHBLUCVQLICEFL-UHFFFAOYSA-N 1 0 306.322 0.291 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCOC2(C[NH2+]C2)C1 ZINC001333755885 952146345 /nfs/dbraw/zinc/14/63/45/952146345.db2.gz WDDWXPTUZMRXBB-UTCJRWHESA-N 1 0 303.318 0.809 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001334656059 952370342 /nfs/dbraw/zinc/37/03/42/952370342.db2.gz ISYRSFMFCZHLSG-SNVBAGLBSA-N 1 0 323.353 0.831 20 5 DCBDRO COC(=O)[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)OC ZINC001336888396 952781001 /nfs/dbraw/zinc/78/10/01/952781001.db2.gz JRLCEDIPTVNMIJ-CHWSQXEVSA-N 1 0 322.317 0.989 20 5 DCBDRO COCC[NH+](CCOC)C1CN(c2c([N+](=O)[O-])cnn2C)C1 ZINC001337906676 952930824 /nfs/dbraw/zinc/93/08/24/952930824.db2.gz KBDFDVHQJSSNCH-UHFFFAOYSA-N 1 0 313.358 0.112 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341339586 953225087 /nfs/dbraw/zinc/22/50/87/953225087.db2.gz QJSOVVMMIINJBC-CQSZACIVSA-N 1 0 307.354 0.844 20 5 DCBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341368425 953226388 /nfs/dbraw/zinc/22/63/88/953226388.db2.gz MWWJQEAVDUDADO-YUTCNCBUSA-N 1 0 317.345 0.945 20 5 DCBDRO O=C(C[C@]1(O)CCC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001343275939 953334201 /nfs/dbraw/zinc/33/42/01/953334201.db2.gz GDAVOAZDVZIRCO-OAHLLOKOSA-N 1 0 305.334 0.989 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001343322938 953337535 /nfs/dbraw/zinc/33/75/35/953337535.db2.gz ONYDUADAAVXPFN-CYBMUJFWSA-N 1 0 306.366 0.850 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC001343337860 953338145 /nfs/dbraw/zinc/33/81/45/953338145.db2.gz WWBPUUKAJAXJKV-BXUZGUMPSA-N 1 0 306.366 0.984 20 5 DCBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC001344973412 953569673 /nfs/dbraw/zinc/56/96/73/953569673.db2.gz GHQQFXSLBKWZNX-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001354110763 956287279 /nfs/dbraw/zinc/28/72/79/956287279.db2.gz JTSFPUWQLDHABI-UHFFFAOYSA-N 1 0 308.338 0.519 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC001302246951 960017896 /nfs/dbraw/zinc/01/78/96/960017896.db2.gz HIMITIBJSNQUJD-VIFPVBQESA-N 1 0 323.353 0.147 20 5 DCBDRO C[C@@H]1[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303798407 960063551 /nfs/dbraw/zinc/06/35/51/960063551.db2.gz AUFDGDCFCQMSSQ-MFKMUULPSA-N 1 0 320.349 0.533 20 5 DCBDRO Cn1cc(CN2CCC(Cc3nn[nH]n3)CC2)c([N+](=O)[O-])n1 ZINC001308047950 960163577 /nfs/dbraw/zinc/16/35/77/960163577.db2.gz KBTCAJBCPPQZNY-UHFFFAOYSA-N 1 0 306.330 0.296 20 5 DCBDRO Cc1ncccc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316823436 960356097 /nfs/dbraw/zinc/35/60/97/960356097.db2.gz KCYFMFQMJSWCDE-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC001528681241 1014381614 /nfs/dbraw/zinc/38/16/14/1014381614.db2.gz WSVFUZALZWDXQZ-OAHLLOKOSA-N 1 0 323.349 0.499 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001464949972 1015973923 /nfs/dbraw/zinc/97/39/23/1015973923.db2.gz FCJHUDRXLSZFSE-LLVKDONJSA-N 1 0 321.381 0.543 20 5 DCBDRO Nc1nccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC001469337148 1016329976 /nfs/dbraw/zinc/32/99/76/1016329976.db2.gz YKZZOTCYRWTEOP-AOOOYVTPSA-N 1 0 305.338 0.929 20 5 DCBDRO CN1C(=O)[C@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC001473725388 1016959081 /nfs/dbraw/zinc/95/90/81/1016959081.db2.gz OAEFSKUFUYXYSZ-XQQFMLRXSA-N 1 0 319.317 0.175 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001453734474 1008692517 /nfs/dbraw/zinc/69/25/17/1008692517.db2.gz LZSCNVAOEAAQKT-LBPRGKRZSA-N 1 0 308.338 0.594 20 5 DCBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001557740869 1012298516 /nfs/dbraw/zinc/29/85/16/1012298516.db2.gz QYBVQZHSGOYOSE-HUUCEWRRSA-N 1 0 319.365 0.986 20 5 DCBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558552276 1012364780 /nfs/dbraw/zinc/36/47/80/1012364780.db2.gz WLVASSFTHUZGGQ-RISCZKNCSA-N 1 0 321.333 0.218 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1NCC(=O)NCC[NH+]1CCCCCC1 ZINC001559201744 1012410702 /nfs/dbraw/zinc/41/07/02/1012410702.db2.gz HDHKXOXQHABECD-UHFFFAOYSA-N 1 0 324.385 0.732 20 5 DCBDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC001560171827 1012438765 /nfs/dbraw/zinc/43/87/65/1012438765.db2.gz GVHBQDANFZKCQP-GFCCVEGCSA-N 1 0 309.370 0.994 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@@H](CO)[C@H]2CO)c1 ZINC001560037609 1012440328 /nfs/dbraw/zinc/44/03/28/1012440328.db2.gz PMFSRQYAWDTITR-CFVMTHIKSA-N 1 0 310.350 0.693 20 5 DCBDRO O=C(CC[NH+]1[C@H](CO)CC[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC001460307300 1012889474 /nfs/dbraw/zinc/88/94/74/1012889474.db2.gz GHQIICOZHNSHOF-KBPBESRZSA-N 1 0 323.349 0.741 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnc(C)nc1 ZINC001479844146 1017869057 /nfs/dbraw/zinc/86/90/57/1017869057.db2.gz ZVUDCIDFMSXFGA-ZIAGYGMSSA-N 1 0 321.381 0.778 20 5 DCBDRO Cc1noc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001498545196 1019214596 /nfs/dbraw/zinc/21/45/96/1019214596.db2.gz GALHPEUIABSKKJ-DGCLKSJQSA-N 1 0 310.354 0.895 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000318369854 231169373 /nfs/dbraw/zinc/16/93/73/231169373.db2.gz IGEKANKABGISLF-NWDGAFQWSA-N 1 0 305.338 0.929 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000154522089 529998229 /nfs/dbraw/zinc/99/82/29/529998229.db2.gz WAZWYLRIBWXSET-JTQLQIEISA-N 1 0 318.337 0.761 20 5 DCBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331028659 232375528 /nfs/dbraw/zinc/37/55/28/232375528.db2.gz RAOHPWPQKMYRBB-SNVBAGLBSA-N 1 0 310.354 0.840 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272680102 210086038 /nfs/dbraw/zinc/08/60/38/210086038.db2.gz KSWJOTMSTNYEED-JTQLQIEISA-N 1 0 307.354 0.866 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC[NH+](C)C ZINC000080387925 192153804 /nfs/dbraw/zinc/15/38/04/192153804.db2.gz OWAROKFBVIZFDH-LLVKDONJSA-N 1 0 322.365 0.733 20 5 DCBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000287179244 219363365 /nfs/dbraw/zinc/36/33/65/219363365.db2.gz ONNQNXMPCBLBNX-NWDGAFQWSA-N 1 0 307.354 0.877 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000173525435 237157564 /nfs/dbraw/zinc/15/75/64/237157564.db2.gz CXUSNFZFFMWROX-SMDDNHRTSA-N 1 0 310.354 0.653 20 5 DCBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000163970921 291247021 /nfs/dbraw/zinc/24/70/21/291247021.db2.gz YHPJHSKUSWDCGN-SNVBAGLBSA-N 1 0 311.342 0.501 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000566092250 291268811 /nfs/dbraw/zinc/26/88/11/291268811.db2.gz XKUICYVJIRMKNJ-LLVKDONJSA-N 1 0 318.333 0.039 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccccc2F)c1 ZINC000567262137 291345904 /nfs/dbraw/zinc/34/59/04/291345904.db2.gz CLRWCDYGHLKKJX-GFCCVEGCSA-N 1 0 324.312 0.960 20 5 DCBDRO COCC[C@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000567321008 291348480 /nfs/dbraw/zinc/34/84/80/291348480.db2.gz NWIZGWPOHADUBJ-HNNXBMFYSA-N 1 0 323.349 0.979 20 5 DCBDRO Cn1cncc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567378822 291351922 /nfs/dbraw/zinc/35/19/22/291351922.db2.gz SADOGOREBOJATF-LBPRGKRZSA-N 1 0 306.322 0.858 20 5 DCBDRO Cn1cc(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000567682237 291369485 /nfs/dbraw/zinc/36/94/85/291369485.db2.gz KLXRECGZOLETRK-CYBMUJFWSA-N 1 0 308.342 0.108 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cn[nH]c1 ZINC000567693512 291370693 /nfs/dbraw/zinc/37/06/93/291370693.db2.gz VOJBTCAZBWCBOG-LBPRGKRZSA-N 1 0 306.322 0.890 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000567873547 291386575 /nfs/dbraw/zinc/38/65/75/291386575.db2.gz YGNYCFOIMPWJGO-ILXRZTDVSA-N 1 0 324.381 0.539 20 5 DCBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000567900275 291389368 /nfs/dbraw/zinc/38/93/68/291389368.db2.gz RHASJCUMNAKEBD-TXEJJXNPSA-N 1 0 304.350 0.981 20 5 DCBDRO Cc1cccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000569021052 291459160 /nfs/dbraw/zinc/45/91/60/291459160.db2.gz NCUUPHDNZTWPTB-JQWIXIFHSA-N 1 0 318.333 0.287 20 5 DCBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000574200656 291680434 /nfs/dbraw/zinc/68/04/34/291680434.db2.gz XGBKIOKQDUDTBM-UHFFFAOYSA-N 1 0 322.296 0.908 20 5 DCBDRO COc1ccc(OCC[N@@H+]2C[C@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000274073477 211329773 /nfs/dbraw/zinc/32/97/73/211329773.db2.gz CPOZRRJYTUTABS-WDEREUQCSA-N 1 0 312.322 0.410 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574876871 291721801 /nfs/dbraw/zinc/72/18/01/291721801.db2.gz DJHPNAMWHAJCPD-NWDGAFQWSA-N 1 0 307.354 0.639 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000110018511 194304013 /nfs/dbraw/zinc/30/40/13/194304013.db2.gz KZRQOPQKCZRDEY-UHFFFAOYSA-N 1 0 310.354 0.897 20 5 DCBDRO C[N@@H+]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000351584459 254349779 /nfs/dbraw/zinc/34/97/79/254349779.db2.gz XIHPZDWRUOYDNW-UHFFFAOYSA-N 1 0 324.312 0.837 20 5 DCBDRO CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC([NH3+])C1 ZINC000294841268 224257261 /nfs/dbraw/zinc/25/72/61/224257261.db2.gz MLVYOSSTYRXVJS-UHFFFAOYSA-N 1 0 316.321 0.737 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](C2CCC2)CC1 ZINC000270567612 395784484 /nfs/dbraw/zinc/78/44/84/395784484.db2.gz MKQKFHXFCYJBMH-UHFFFAOYSA-N 1 0 306.366 0.927 20 5 DCBDRO CS[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270795308 395809829 /nfs/dbraw/zinc/80/98/29/395809829.db2.gz VSXOTQLWWSXOHO-DTWKUNHWSA-N 1 0 313.383 0.744 20 5 DCBDRO C[C@H](CC(N)=O)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273485482 395924315 /nfs/dbraw/zinc/92/43/15/395924315.db2.gz VPOLVKSGBHSGKE-SECBINFHSA-N 1 0 315.351 0.222 20 5 DCBDRO CSC[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000135449459 395940506 /nfs/dbraw/zinc/94/05/06/395940506.db2.gz UVKAIVBZYDZEOK-JQWIXIFHSA-N 1 0 300.384 0.980 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000274548213 395958059 /nfs/dbraw/zinc/95/80/59/395958059.db2.gz XBWISPHDKIVIDN-UHFFFAOYSA-N 1 0 307.354 0.154 20 5 DCBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000150917036 395975939 /nfs/dbraw/zinc/97/59/39/395975939.db2.gz LWNPPYALZJISAR-LLVKDONJSA-N 1 0 312.374 0.821 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068203736 396049383 /nfs/dbraw/zinc/04/93/83/396049383.db2.gz GDSNJABRTLEDTR-VXGBXAGGSA-N 1 0 307.354 0.843 20 5 DCBDRO [NH3+]C1(c2noc(Cn3cc([N+](=O)[O-])ccc3=O)n2)CCCC1 ZINC000261632611 396050755 /nfs/dbraw/zinc/05/07/55/396050755.db2.gz CQGWZYMRGRGJSW-UHFFFAOYSA-N 1 0 305.294 0.916 20 5 DCBDRO COC(=O)COc1ccc(CN(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000261744030 396061199 /nfs/dbraw/zinc/06/11/99/396061199.db2.gz BRPMYPWSCOVSDM-SNVBAGLBSA-N 1 0 311.338 0.926 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000156466554 396061831 /nfs/dbraw/zinc/06/18/31/396061831.db2.gz UDXRDNCEGHRQJU-CABZTGNLSA-N 1 0 315.351 0.332 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000156455584 396061867 /nfs/dbraw/zinc/06/18/67/396061867.db2.gz SUUVPBIRTPVZIU-ONGXEEELSA-N 1 0 315.351 0.332 20 5 DCBDRO O=C(CC[N@H+]1C[C@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000249287754 396005357 /nfs/dbraw/zinc/00/53/57/396005357.db2.gz JNFNXTGLMTUIKB-WDEREUQCSA-N 1 0 309.322 0.351 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000276592626 396013009 /nfs/dbraw/zinc/01/30/09/396013009.db2.gz KQQGIAUVJNPFKB-JSGCOSHPSA-N 1 0 324.333 0.972 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000261978825 396086762 /nfs/dbraw/zinc/08/67/62/396086762.db2.gz QZNQDPKGLYUFDQ-UHFFFAOYSA-N 1 0 306.322 0.065 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000277988679 396099198 /nfs/dbraw/zinc/09/91/98/396099198.db2.gz GQEUXPVHFNQHSL-JOYOIKCWSA-N 1 0 306.322 0.862 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000277988674 396099372 /nfs/dbraw/zinc/09/93/72/396099372.db2.gz GQEUXPVHFNQHSL-CABZTGNLSA-N 1 0 306.322 0.862 20 5 DCBDRO CCc1n[nH]c(C(=O)NCCC[N@H+](C)CCOC)c1[N+](=O)[O-] ZINC000171664852 396121395 /nfs/dbraw/zinc/12/13/95/396121395.db2.gz MUEMGMZHTSSGJB-UHFFFAOYSA-N 1 0 313.358 0.578 20 5 DCBDRO CCOc1ccc(NC(=O)CN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261928845 396080147 /nfs/dbraw/zinc/08/01/47/396080147.db2.gz JDMJKPBWGDZOKR-UHFFFAOYSA-N 1 0 308.338 0.837 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC000262628988 396164128 /nfs/dbraw/zinc/16/41/28/396164128.db2.gz UWTUYCQRVNUOJB-LLVKDONJSA-N 1 0 309.278 0.308 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000075719017 396186046 /nfs/dbraw/zinc/18/60/46/396186046.db2.gz UBAYVVXUGWXOSS-ZFWWWQNUSA-N 1 0 323.397 0.712 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000076333645 396202248 /nfs/dbraw/zinc/20/22/48/396202248.db2.gz DIKWKLGHXDUFKT-LLVKDONJSA-N 1 0 318.333 0.886 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000076402027 396203311 /nfs/dbraw/zinc/20/33/11/396203311.db2.gz RLXBORVITSDIMB-SNVBAGLBSA-N 1 0 323.353 0.240 20 5 DCBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000183306716 396266292 /nfs/dbraw/zinc/26/62/92/396266292.db2.gz NPHFMPNLVNOMOT-CABZTGNLSA-N 1 0 308.342 0.545 20 5 DCBDRO CCc1n[nH]c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000264600583 396294382 /nfs/dbraw/zinc/29/43/82/396294382.db2.gz JVDOIZYWDVNXAJ-SNVBAGLBSA-N 1 0 324.385 0.246 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@@](C)([NH3+])COC)c1[N+](=O)[O-] ZINC000265597730 396329171 /nfs/dbraw/zinc/32/91/71/396329171.db2.gz RBNVPMHWFDPTIZ-CYBMUJFWSA-N 1 0 312.326 0.942 20 5 DCBDRO O=C(CC[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC000186500229 396351277 /nfs/dbraw/zinc/35/12/77/396351277.db2.gz JNFNXTGLMTUIKB-QWRGUYRKSA-N 1 0 309.322 0.351 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000286427408 396394804 /nfs/dbraw/zinc/39/48/04/396394804.db2.gz BMUZQMFTJGUIMZ-SNVBAGLBSA-N 1 0 324.337 0.909 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000192821555 396438026 /nfs/dbraw/zinc/43/80/26/396438026.db2.gz QIBLBKSURUVEHU-UHFFFAOYSA-N 1 0 306.366 0.914 20 5 DCBDRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291786731 396512284 /nfs/dbraw/zinc/51/22/84/396512284.db2.gz IOBJZALILXUZMC-VIFPVBQESA-N 1 0 316.383 0.852 20 5 DCBDRO C[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C[NH+](C)C ZINC000291867305 396517169 /nfs/dbraw/zinc/51/71/69/396517169.db2.gz NHZZQXIRMZBAKD-SECBINFHSA-N 1 0 316.383 0.852 20 5 DCBDRO C[C@H](CCO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581011812 396518858 /nfs/dbraw/zinc/51/88/58/396518858.db2.gz KDSCEBSJUUKQRK-LLVKDONJSA-N 1 0 316.379 0.977 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000594875975 396533489 /nfs/dbraw/zinc/53/34/89/396533489.db2.gz UOYIEMLKCYHSCN-JOYOIKCWSA-N 1 0 308.313 0.478 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000293552418 396616610 /nfs/dbraw/zinc/61/66/10/396616610.db2.gz WSQRPGAJTRIAGE-UHFFFAOYSA-N 1 0 323.397 0.790 20 5 DCBDRO CN1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000584828601 396626917 /nfs/dbraw/zinc/62/69/17/396626917.db2.gz GGOZWUFPFCJZDE-CQSZACIVSA-N 1 0 321.381 0.422 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000595930045 396684858 /nfs/dbraw/zinc/68/48/58/396684858.db2.gz MULMOEIWTWYEMX-NEPJUHHUSA-N 1 0 323.305 0.684 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000595981245 396702210 /nfs/dbraw/zinc/70/22/10/396702210.db2.gz BYOYASHWZIHVPX-VIFPVBQESA-N 1 0 304.310 0.513 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000595984951 396703440 /nfs/dbraw/zinc/70/34/40/396703440.db2.gz YOXXEIFMKHCPJR-VIFPVBQESA-N 1 0 322.321 0.044 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC000596119943 396719686 /nfs/dbraw/zinc/71/96/86/396719686.db2.gz BRARUNQXGMTPNZ-GFCCVEGCSA-N 1 0 320.397 0.788 20 5 DCBDRO COC1CC[NH+](CCNC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000610571624 396730893 /nfs/dbraw/zinc/73/08/93/396730893.db2.gz KRAQRHLSTGQGGD-UHFFFAOYSA-N 1 0 311.342 0.018 20 5 DCBDRO CC(C)CO[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044629 396734406 /nfs/dbraw/zinc/73/44/06/396734406.db2.gz KVSBWWRZHJFHEV-KGLIPLIRSA-N 1 0 312.370 0.899 20 5 DCBDRO NC(=O)c1cc(NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000596257483 396745519 /nfs/dbraw/zinc/74/55/19/396745519.db2.gz LAIOLNSAYCRSAU-GFCCVEGCSA-N 1 0 322.365 0.952 20 5 DCBDRO C[NH+](C)C1(CNc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000563621726 396762107 /nfs/dbraw/zinc/76/21/07/396762107.db2.gz BSWJOXRLEIOETF-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)CC1 ZINC000611205894 396834265 /nfs/dbraw/zinc/83/42/65/396834265.db2.gz GFQHQRJCVVVJDD-JTQLQIEISA-N 1 0 322.369 0.216 20 5 DCBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000564793678 396869035 /nfs/dbraw/zinc/86/90/35/396869035.db2.gz RORRBBJOVPKCIJ-YPMHNXCESA-N 1 0 313.402 0.718 20 5 DCBDRO CN(C)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000317342397 396801772 /nfs/dbraw/zinc/80/17/72/396801772.db2.gz XKBZRPCLJULFQI-ZDUSSCGKSA-N 1 0 311.386 0.616 20 5 DCBDRO CC[NH2+]CCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000571560623 396966259 /nfs/dbraw/zinc/96/62/59/396966259.db2.gz PKWRSKBRRXADAG-UHFFFAOYSA-N 1 0 322.365 0.831 20 5 DCBDRO C[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cn1cccn1 ZINC000591728095 396992525 /nfs/dbraw/zinc/99/25/25/396992525.db2.gz SHTCZZLQQBHTRM-WCQYABFASA-N 1 0 308.342 0.275 20 5 DCBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343319608 396995259 /nfs/dbraw/zinc/99/52/59/396995259.db2.gz KTNQQXYHWZOJTP-NSHDSACASA-N 1 0 310.354 0.603 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601345946 397070185 /nfs/dbraw/zinc/07/01/85/397070185.db2.gz IYOUKKDZGLSPMP-JQWIXIFHSA-N 1 0 311.363 0.892 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000592312292 397150291 /nfs/dbraw/zinc/15/02/91/397150291.db2.gz QRHUHJNYAQNTFO-SMDDNHRTSA-N 1 0 322.365 0.971 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000592363256 397160222 /nfs/dbraw/zinc/16/02/22/397160222.db2.gz NQLGKTWLXJOUPA-UHFFFAOYSA-N 1 0 315.351 0.634 20 5 DCBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592391479 397167788 /nfs/dbraw/zinc/16/77/88/397167788.db2.gz XYVWCTULNYBEFI-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO O=C1NCCN1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000377958903 397170800 /nfs/dbraw/zinc/17/08/00/397170800.db2.gz KDCDYWRRLIHYSH-LLVKDONJSA-N 1 0 308.342 0.281 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000592477458 397187234 /nfs/dbraw/zinc/18/72/34/397187234.db2.gz WUELRSCUGUGESU-RISCZKNCSA-N 1 0 323.349 0.938 20 5 DCBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475147 397187532 /nfs/dbraw/zinc/18/75/32/397187532.db2.gz VTQIHRKJAAGMOB-MISXGVKJSA-N 1 0 322.365 0.970 20 5 DCBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000598189170 397187737 /nfs/dbraw/zinc/18/77/37/397187737.db2.gz YHLDTAXTGUMZLG-UHFFFAOYSA-N 1 0 312.326 0.280 20 5 DCBDRO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1[NH3+] ZINC000592545785 397206063 /nfs/dbraw/zinc/20/60/63/397206063.db2.gz WRUZRNVOYVFYFY-CMPLNLGQSA-N 1 0 308.338 0.342 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592546782 397207948 /nfs/dbraw/zinc/20/79/48/397207948.db2.gz BOJZOLHGIZJQGX-ZETCQYMHSA-N 1 0 312.351 0.249 20 5 DCBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000598743531 397288188 /nfs/dbraw/zinc/28/81/88/397288188.db2.gz SOQSOTYSKBBILW-UHFFFAOYSA-N 1 0 324.385 0.464 20 5 DCBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592963688 397306227 /nfs/dbraw/zinc/30/62/27/397306227.db2.gz BETPRLDRVBMSII-WFFHOREQSA-N 1 0 317.349 0.753 20 5 DCBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598913217 397306644 /nfs/dbraw/zinc/30/66/44/397306644.db2.gz FLZVTYBWQXHHST-GXSJLCMTSA-N 1 0 306.322 0.777 20 5 DCBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598916326 397307504 /nfs/dbraw/zinc/30/75/04/397307504.db2.gz YANCUSRCOGVBMZ-BMIGLBTASA-N 1 0 318.333 0.873 20 5 DCBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598916489 397307835 /nfs/dbraw/zinc/30/78/35/397307835.db2.gz ZVHMAPJLWSVKIU-VHSXEESVSA-N 1 0 306.322 0.872 20 5 DCBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598916328 397307908 /nfs/dbraw/zinc/30/79/08/397307908.db2.gz YANCUSRCOGVBMZ-MEBBXXQBSA-N 1 0 318.333 0.873 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602501870 397421447 /nfs/dbraw/zinc/42/14/47/397421447.db2.gz UUKWYCSYIXTKLN-UHFFFAOYSA-N 1 0 318.377 0.991 20 5 DCBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCC[NH2+]1 ZINC000602556787 397438914 /nfs/dbraw/zinc/43/89/14/397438914.db2.gz MORXWIMZPREXCQ-SNVBAGLBSA-N 1 0 311.363 0.792 20 5 DCBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588222 397444523 /nfs/dbraw/zinc/44/45/23/397444523.db2.gz MVWONDXIHZJRKT-GWCFXTLKSA-N 1 0 313.317 0.967 20 5 DCBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602586950 397444528 /nfs/dbraw/zinc/44/45/28/397444528.db2.gz BXYSDDOJGKOLOQ-FZMZJTMJSA-N 1 0 313.317 0.967 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000578506993 397445320 /nfs/dbraw/zinc/44/53/20/397445320.db2.gz CPHKMONZPGXYFM-AXFHLTTASA-N 1 0 320.296 0.291 20 5 DCBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602599162 397447110 /nfs/dbraw/zinc/44/71/10/397447110.db2.gz FITHIRWBBNXMNW-RYUDHWBXSA-N 1 0 313.317 0.967 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000578132190 397395068 /nfs/dbraw/zinc/39/50/68/397395068.db2.gz QVFBYJCCWAZCHI-ZJUUUORDSA-N 1 0 312.351 0.362 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594204684 397513453 /nfs/dbraw/zinc/51/34/53/397513453.db2.gz WRAPIXARHQSROI-CHWSQXEVSA-N 1 0 307.354 0.924 20 5 DCBDRO C[NH+](C)C/C=C\C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000491883961 397505361 /nfs/dbraw/zinc/50/53/61/397505361.db2.gz LYWIXAIQJUJWCC-ARJAWSKDSA-N 1 0 319.365 0.756 20 5 DCBDRO C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000579097753 397521798 /nfs/dbraw/zinc/52/17/98/397521798.db2.gz JUZKMXPNCHDKPL-LLVKDONJSA-N 1 0 308.338 0.977 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000599938872 397545986 /nfs/dbraw/zinc/54/59/86/397545986.db2.gz RVLZYWQEMWUZPQ-SNVBAGLBSA-N 1 0 308.342 0.500 20 5 DCBDRO CC[NH+]1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000610249775 397808355 /nfs/dbraw/zinc/80/83/55/397808355.db2.gz YBDKBQJSBZSBBG-UHFFFAOYSA-N 1 0 314.367 0.752 20 5 DCBDRO C[C@@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000610262584 397810818 /nfs/dbraw/zinc/81/08/18/397810818.db2.gz KRLOEWIYFIJDFO-VIFPVBQESA-N 1 0 314.367 0.751 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000609578001 397783573 /nfs/dbraw/zinc/78/35/73/397783573.db2.gz GDUSSIYNZFDNLQ-UHFFFAOYSA-N 1 0 309.370 0.877 20 5 DCBDRO Cn1c(C(=O)NCCCN2CCC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000609623935 397787916 /nfs/dbraw/zinc/78/79/16/397787916.db2.gz HLPGMUCHRUOTJT-UHFFFAOYSA-N 1 0 323.397 0.691 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000171136167 158380567 /nfs/dbraw/zinc/38/05/67/158380567.db2.gz WSYXLHDTPLLHAE-NSHDSACASA-N 1 0 321.381 0.664 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000237237737 158637469 /nfs/dbraw/zinc/63/74/69/158637469.db2.gz WNCSEIMCQMMKIW-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000262611705 158829249 /nfs/dbraw/zinc/82/92/49/158829249.db2.gz XENLRMIRGDXMJU-SECBINFHSA-N 1 0 322.321 0.126 20 5 DCBDRO COc1c(C(=O)NC[C@@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000318454973 159006131 /nfs/dbraw/zinc/00/61/31/159006131.db2.gz GWOKVHWSFPZAMB-CQSZACIVSA-N 1 0 311.338 0.646 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000320777065 159010591 /nfs/dbraw/zinc/01/05/91/159010591.db2.gz LUKUSPFPLLUDBY-RYUDHWBXSA-N 1 0 320.349 0.770 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC000367195598 159321305 /nfs/dbraw/zinc/32/13/05/159321305.db2.gz JQVOMHZIDWGCMP-NSHDSACASA-N 1 0 322.369 0.170 20 5 DCBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000368188498 159380024 /nfs/dbraw/zinc/38/00/24/159380024.db2.gz YFVQKBNFDJVYRN-YUMQZZPRSA-N 1 0 307.285 0.901 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000368404214 159392378 /nfs/dbraw/zinc/39/23/78/159392378.db2.gz KIHDZTBJACZHEP-STQMWFEESA-N 1 0 309.370 0.322 20 5 DCBDRO Cc1c(NC(=O)C(=O)N2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000415313106 287235820 /nfs/dbraw/zinc/23/58/20/287235820.db2.gz DRTFWFSWOHRNII-UHFFFAOYSA-N 1 0 306.322 0.664 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419151597 287270431 /nfs/dbraw/zinc/27/04/31/287270431.db2.gz NGZNGZPJWIWFGK-MNOVXSKESA-N 1 0 320.349 0.722 20 5 DCBDRO [NH3+]CCNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419343499 287282250 /nfs/dbraw/zinc/28/22/50/287282250.db2.gz CTDFTEXXAGGDRO-UHFFFAOYSA-N 1 0 308.338 0.109 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C1CC([NH3+])C1 ZINC000420338520 287292108 /nfs/dbraw/zinc/29/21/08/287292108.db2.gz RQNGHAGNJDBIMC-UHFFFAOYSA-N 1 0 308.338 0.963 20 5 DCBDRO [NH3+][C@@H](CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420422875 287297429 /nfs/dbraw/zinc/29/74/29/287297429.db2.gz MIDPKBVDNHNCMO-ZDUSSCGKSA-N 1 0 313.379 0.794 20 5 DCBDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000342748852 415278956 /nfs/dbraw/zinc/27/89/56/415278956.db2.gz IMTCQIUPRSODHW-SNVBAGLBSA-N 1 0 324.337 0.403 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332082922 415231562 /nfs/dbraw/zinc/23/15/62/415231562.db2.gz ATXJMXKMUYDGGM-LBPRGKRZSA-N 1 0 309.370 0.482 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106815692 415649687 /nfs/dbraw/zinc/64/96/87/415649687.db2.gz GARBOJKCVHJEGS-LLVKDONJSA-N 1 0 321.381 0.664 20 5 DCBDRO CNS(=O)(=O)c1ccc(N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000343786417 415729121 /nfs/dbraw/zinc/72/91/21/415729121.db2.gz GWOLVXNYVDJHFS-SECBINFHSA-N 1 0 316.383 0.865 20 5 DCBDRO CO[C@H]1COC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000290031034 415752375 /nfs/dbraw/zinc/75/23/75/415752375.db2.gz BUVCWVQFJUCCNX-MJVIPROJSA-N 1 0 312.322 0.338 20 5 DCBDRO CCC[C@]1(CO)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127285 415846620 /nfs/dbraw/zinc/84/66/20/415846620.db2.gz JMKGCHUECBDCEW-KGLIPLIRSA-N 1 0 312.370 0.637 20 5 DCBDRO CNC(=O)CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000170793067 416032392 /nfs/dbraw/zinc/03/23/92/416032392.db2.gz RFDKJOGRIOGMJM-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357499969 416089219 /nfs/dbraw/zinc/08/92/19/416089219.db2.gz GDGFBCVUWQLWRX-NSHDSACASA-N 1 0 307.354 0.865 20 5 DCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000345967331 416176131 /nfs/dbraw/zinc/17/61/31/416176131.db2.gz SAVVFXMKRWJVOR-NEPJUHHUSA-N 1 0 322.365 0.698 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000358073483 416187725 /nfs/dbraw/zinc/18/77/25/416187725.db2.gz CINBCWSNBLWHSH-OAHLLOKOSA-N 1 0 322.365 0.580 20 5 DCBDRO [NH3+]C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000358130826 416198621 /nfs/dbraw/zinc/19/86/21/416198621.db2.gz UVHZTIBVLQPVOV-ZDUSSCGKSA-N 1 0 308.338 0.583 20 5 DCBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H](C[NH3+])C1 ZINC000358158131 416203268 /nfs/dbraw/zinc/20/32/68/416203268.db2.gz XJODRIQUEFOFRD-MFKMUULPSA-N 1 0 308.338 0.581 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](C[C@H]3CCOC3)CC2)n1 ZINC000178485742 416164972 /nfs/dbraw/zinc/16/49/72/416164972.db2.gz RVEWJOVSCLNKFK-CYBMUJFWSA-N 1 0 309.370 0.445 20 5 DCBDRO CCO[C@@H]1C[C@@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000189982984 416273621 /nfs/dbraw/zinc/27/36/21/416273621.db2.gz NLXDYSQTHLNXSD-RISCZKNCSA-N 1 0 312.370 0.947 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000415539845 416346773 /nfs/dbraw/zinc/34/67/73/416346773.db2.gz NAEYLUICVXKEPA-LBPRGKRZSA-N 1 0 320.349 0.949 20 5 DCBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)CN(C)C ZINC000361215243 416425961 /nfs/dbraw/zinc/42/59/61/416425961.db2.gz IEKWMJBNDPAGDB-FZMZJTMJSA-N 1 0 324.381 0.824 20 5 DCBDRO CNc1c(C(=O)NCC2(O)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000361211453 416426011 /nfs/dbraw/zinc/42/60/11/416426011.db2.gz OZWOOQVOICAQOD-UHFFFAOYSA-N 1 0 322.365 0.823 20 5 DCBDRO Cc1c(CC(=O)NC[C@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000423724515 416549442 /nfs/dbraw/zinc/54/94/42/416549442.db2.gz RNTXRACNIJIOID-CYBMUJFWSA-N 1 0 306.366 0.466 20 5 DCBDRO CNc1nccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)c1[N+](=O)[O-] ZINC000584850950 416516145 /nfs/dbraw/zinc/51/61/45/416516145.db2.gz RESNLRNTIMVRHQ-JTQLQIEISA-N 1 0 307.354 1.103 20 5 DCBDRO CC[N@H+](C)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000538088926 416563451 /nfs/dbraw/zinc/56/34/51/416563451.db2.gz OUFHBCNZRWKZMF-UHFFFAOYSA-N 1 0 302.356 0.606 20 5 DCBDRO CC(C)(C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423992594 416602015 /nfs/dbraw/zinc/60/20/15/416602015.db2.gz OWZZBEGPKNPPJS-CYBMUJFWSA-N 1 0 307.350 0.977 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000424024122 416606276 /nfs/dbraw/zinc/60/62/76/416606276.db2.gz QRDAVRJZHNWVBN-ZDUSSCGKSA-N 1 0 309.322 0.550 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000424024675 416606579 /nfs/dbraw/zinc/60/65/79/416606579.db2.gz QZJZFQFKWMHIEI-LLVKDONJSA-N 1 0 308.338 0.583 20 5 DCBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000424075416 416607733 /nfs/dbraw/zinc/60/77/33/416607733.db2.gz MBUSPEWCQXVJEL-LLVKDONJSA-N 1 0 301.306 0.708 20 5 DCBDRO NC(=O)c1cccc(N2CCC[N@H+](CCO)CC2)c1[N+](=O)[O-] ZINC000439154486 416608251 /nfs/dbraw/zinc/60/82/51/416608251.db2.gz OCXCBTFPHCASLH-UHFFFAOYSA-N 1 0 308.338 0.198 20 5 DCBDRO C[C@@H]1C[N@H+](CCCNc2ccc(N)c([N+](=O)[O-])n2)CCCO1 ZINC000596208332 416580079 /nfs/dbraw/zinc/58/00/79/416580079.db2.gz KAFBSUXOOZIELT-LLVKDONJSA-N 1 0 309.370 1.485 20 5 DCBDRO C[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000548386581 416687690 /nfs/dbraw/zinc/68/76/90/416687690.db2.gz GKEZOWRXMOPZPI-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000516166797 416715344 /nfs/dbraw/zinc/71/53/44/416715344.db2.gz HEDHJHQGNIQWSA-RISCZKNCSA-N 1 0 320.349 0.977 20 5 DCBDRO O=C(CC[N@H+]1CC[C@H](CO)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284123 416806608 /nfs/dbraw/zinc/80/66/08/416806608.db2.gz YJYDUCHAJXTFIQ-BXUZGUMPSA-N 1 0 323.349 0.599 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000369998405 416864964 /nfs/dbraw/zinc/86/49/64/416864964.db2.gz RVFXQXFFJWDIDM-KBPBESRZSA-N 1 0 309.370 0.322 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[NH2+]C ZINC000428115304 416876999 /nfs/dbraw/zinc/87/69/99/416876999.db2.gz KTEOZPAOKDBGSL-JTQLQIEISA-N 1 0 312.374 0.553 20 5 DCBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000563374690 416880159 /nfs/dbraw/zinc/88/01/59/416880159.db2.gz QZQYAEMRBAFNGG-NSHDSACASA-N 1 0 321.381 1.493 20 5 DCBDRO C[NH2+]CC1CCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)CC1 ZINC000429467730 416974756 /nfs/dbraw/zinc/97/47/56/416974756.db2.gz HLDYSERXHKJBNH-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489689 416987483 /nfs/dbraw/zinc/98/74/83/416987483.db2.gz BTLZWKFIQPWBOP-KBPBESRZSA-N 1 0 304.350 0.381 20 5 DCBDRO COc1ccc(NC(=O)[C@H](C)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430627566 287348043 /nfs/dbraw/zinc/34/80/43/287348043.db2.gz MHYCQHOIUXTHOW-UWVGGRQHSA-N 1 0 308.338 0.963 20 5 DCBDRO COc1cccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000568661416 417162603 /nfs/dbraw/zinc/16/26/03/417162603.db2.gz PABIUXWWGSRDAK-QWRGUYRKSA-N 1 0 309.322 0.350 20 5 DCBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000568517022 417146333 /nfs/dbraw/zinc/14/63/33/417146333.db2.gz WVBWYYYOYKTVPK-OUAUKWLOSA-N 1 0 305.338 0.740 20 5 DCBDRO CC(C)(C(=O)N[C@H](CC[NH3+])C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000449722706 417170771 /nfs/dbraw/zinc/17/07/71/417170771.db2.gz QCOXQTWEQHTYQG-MRVPVSSYSA-N 1 0 323.275 0.922 20 5 DCBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000568756548 417172815 /nfs/dbraw/zinc/17/28/15/417172815.db2.gz KEZCXESGPIPOKA-GFCCVEGCSA-N 1 0 306.322 0.079 20 5 DCBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000449693350 417164223 /nfs/dbraw/zinc/16/42/23/417164223.db2.gz DLVNBIZAEYAMKD-SNVBAGLBSA-N 1 0 324.406 0.950 20 5 DCBDRO CN1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569332512 417240164 /nfs/dbraw/zinc/24/01/64/417240164.db2.gz UFHVQLRRRLUNHH-VXGBXAGGSA-N 1 0 323.349 0.545 20 5 DCBDRO CNc1nccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000569939008 417305455 /nfs/dbraw/zinc/30/54/55/417305455.db2.gz GSZPUJBSOFUILO-LLVKDONJSA-N 1 0 321.381 1.445 20 5 DCBDRO CC(C)(C)CC[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570396769 417348171 /nfs/dbraw/zinc/34/81/71/417348171.db2.gz QICXXFSQNHGULZ-YPMHNXCESA-N 1 0 314.386 0.929 20 5 DCBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000570939348 417407530 /nfs/dbraw/zinc/40/75/30/417407530.db2.gz FJSOMFKWWPVGEW-JTQLQIEISA-N 1 0 309.370 1.492 20 5 DCBDRO CCCC[C@@H](C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000571164725 417430958 /nfs/dbraw/zinc/43/09/58/417430958.db2.gz YKUXFXHKCYRMPU-VIFPVBQESA-N 1 0 302.356 0.786 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000415341843 417367621 /nfs/dbraw/zinc/36/76/21/417367621.db2.gz HZFJTSUTNPLTLX-SECBINFHSA-N 1 0 322.321 0.362 20 5 DCBDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415392852 417377289 /nfs/dbraw/zinc/37/72/89/417377289.db2.gz YOCJCLOFXKKBIV-PSASIEDQSA-N 1 0 309.326 0.646 20 5 DCBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111963 417455786 /nfs/dbraw/zinc/45/57/86/417455786.db2.gz DKNGGVZXLDPMRN-OCCSQVGLSA-N 1 0 311.386 0.567 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000440823707 287408228 /nfs/dbraw/zinc/40/82/28/287408228.db2.gz GEFCCNCAMKPQMI-UHFFFAOYSA-N 1 0 324.362 0.983 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH+](CC2CC2)CC1 ZINC000299467458 229136055 /nfs/dbraw/zinc/13/60/55/229136055.db2.gz AODJYCFXHYFROQ-UHFFFAOYSA-N 1 0 320.349 0.311 20 5 DCBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000355066831 261302711 /nfs/dbraw/zinc/30/27/11/261302711.db2.gz XBUZYQPOTVAMDE-LBPRGKRZSA-N 1 0 324.333 0.961 20 5 DCBDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128778 262246854 /nfs/dbraw/zinc/24/68/54/262246854.db2.gz JGBAZLFDOWGVIX-GXFFZTMASA-N 1 0 308.338 0.943 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418678574 262285893 /nfs/dbraw/zinc/28/58/93/262285893.db2.gz VYQZZKMGVHIOFH-WDNDVIMCSA-N 1 0 302.334 0.880 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000418790791 262290252 /nfs/dbraw/zinc/29/02/52/262290252.db2.gz YDGFSYWSJAOQST-NSHDSACASA-N 1 0 320.349 0.594 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418862440 262293621 /nfs/dbraw/zinc/29/36/21/262293621.db2.gz GFFVJRDBMJMMDG-SNVBAGLBSA-N 1 0 308.338 0.107 20 5 DCBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418925634 262298829 /nfs/dbraw/zinc/29/88/29/262298829.db2.gz SESKLQJLMXFSDC-LBPRGKRZSA-N 1 0 320.349 0.203 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419156872 262314059 /nfs/dbraw/zinc/31/40/59/262314059.db2.gz VYKJIUMFLGZEKF-LLVKDONJSA-N 1 0 322.365 0.840 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420256845 262367594 /nfs/dbraw/zinc/36/75/94/262367594.db2.gz JOSSAGOOPIQHEB-MWLCHTKSSA-N 1 0 306.322 0.822 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1CCC[NH2+]CC1 ZINC000420402833 262373776 /nfs/dbraw/zinc/37/37/76/262373776.db2.gz JSBHGMKOUDMVQZ-UHFFFAOYSA-N 1 0 313.379 0.762 20 5 DCBDRO [NH3+][C@@H]1CCCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420403913 262374141 /nfs/dbraw/zinc/37/41/41/262374141.db2.gz LQYYLZMMRSUDQO-GFCCVEGCSA-N 1 0 313.379 0.890 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000418875473 271260676 /nfs/dbraw/zinc/26/06/76/271260676.db2.gz WUWVALYWKDMQIG-MFKMUULPSA-N 1 0 320.349 0.059 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419033014 271269770 /nfs/dbraw/zinc/26/97/70/271269770.db2.gz CAMYNNFVLGVZBR-LBPRGKRZSA-N 1 0 320.349 0.122 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419044365 271270097 /nfs/dbraw/zinc/27/00/97/271270097.db2.gz TXFYLBJGAMYGIH-GFCCVEGCSA-N 1 0 320.349 0.122 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557121 272135095 /nfs/dbraw/zinc/13/50/95/272135095.db2.gz BLGQTJSSNOHROD-UJAVWCLSSA-N 1 0 323.324 0.930 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000493095074 272168430 /nfs/dbraw/zinc/16/84/30/272168430.db2.gz SLKZWIRYRGXHFR-WFVZMWEJSA-N 1 0 323.324 0.880 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000493468446 272190520 /nfs/dbraw/zinc/19/05/20/272190520.db2.gz QOUXSSDRIILGMU-KFBXHMBNSA-N 1 0 305.334 0.741 20 5 DCBDRO CS(=O)(=O)N1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000495183484 272240640 /nfs/dbraw/zinc/24/06/40/272240640.db2.gz KDGNJNMARNOEEP-UHFFFAOYSA-N 1 0 317.342 0.715 20 5 DCBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301207290 279764994 /nfs/dbraw/zinc/76/49/94/279764994.db2.gz SCZNUJOTKXZFRW-UHFFFAOYSA-N 1 0 319.365 0.734 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)[NH2+]C ZINC000261759888 280198633 /nfs/dbraw/zinc/19/86/33/280198633.db2.gz OFNBMMSRGPLTFB-WCBMZHEXSA-N 1 0 312.374 0.551 20 5 DCBDRO C[NH+](C)[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000555879582 288364897 /nfs/dbraw/zinc/36/48/97/288364897.db2.gz CVFMRPUSNBRORD-STQMWFEESA-N 1 0 308.338 0.140 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000563117163 288633765 /nfs/dbraw/zinc/63/37/65/288633765.db2.gz UTECAEIJVRWUDH-QMMMGPOBSA-N 1 0 305.285 0.589 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000020007061 295190858 /nfs/dbraw/zinc/19/08/58/295190858.db2.gz FFAYUHAYKZFSEJ-VIFPVBQESA-N 1 0 315.351 0.715 20 5 DCBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000261595912 295196498 /nfs/dbraw/zinc/19/64/98/295196498.db2.gz IZDPGMQGZQHBCG-PSASIEDQSA-N 1 0 315.351 0.571 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269107461 303455360 /nfs/dbraw/zinc/45/53/60/303455360.db2.gz GEBSNDXIHFZPHP-SECBINFHSA-N 1 0 307.306 0.929 20 5 DCBDRO CCc1n[nH]c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000584181680 331858020 /nfs/dbraw/zinc/85/80/20/331858020.db2.gz FTUPUZAERYBUCG-AWEZNQCLSA-N 1 0 323.353 0.067 20 5 DCBDRO O=C(NC1C[NH2+]C1)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000583134077 337243009 /nfs/dbraw/zinc/24/30/09/337243009.db2.gz UQZDYPNHEVCMAZ-UHFFFAOYSA-N 1 0 318.333 0.174 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000575800700 341805297 /nfs/dbraw/zinc/80/52/97/341805297.db2.gz RJZVAWXUCJYIEU-GHMZBOCLSA-N 1 0 307.354 0.790 20 5 DCBDRO Cc1ncsc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577387027 341907340 /nfs/dbraw/zinc/90/73/40/341907340.db2.gz YQYMZKVNRWMKEY-NSHDSACASA-N 1 0 311.367 0.749 20 5 DCBDRO CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CC[NH2+]C1 ZINC000577721417 341931593 /nfs/dbraw/zinc/93/15/93/341931593.db2.gz FPEARYSCQXALJD-NSHDSACASA-N 1 0 321.333 0.729 20 5 DCBDRO COc1cc(OCC(=O)N2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000237225709 522889955 /nfs/dbraw/zinc/88/99/55/522889955.db2.gz QFJRAAYFLBBHAC-JTQLQIEISA-N 1 0 309.322 0.803 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000266309229 524479241 /nfs/dbraw/zinc/47/92/41/524479241.db2.gz DFXJBDHWFOHGPV-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@H]1C[NH+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000159537611 524595628 /nfs/dbraw/zinc/59/56/28/524595628.db2.gz GIFXBBMNMBMXKG-UWVGGRQHSA-N 1 0 311.342 0.547 20 5 DCBDRO [NH3+]CCCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000181026479 527175837 /nfs/dbraw/zinc/17/58/37/527175837.db2.gz CDDBMSLDBFMXTF-UHFFFAOYSA-N 1 0 304.306 0.905 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000157642739 527321232 /nfs/dbraw/zinc/32/12/32/527321232.db2.gz VTOWVSUVTXGWCU-UHFFFAOYSA-N 1 0 303.315 0.764 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000157644306 527322256 /nfs/dbraw/zinc/32/22/56/527322256.db2.gz HRISZAFFQDKSAD-QMMMGPOBSA-N 1 0 303.315 0.764 20 5 DCBDRO CC(C)(C)C[N@H+](CCCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173707227 527682731 /nfs/dbraw/zinc/68/27/31/527682731.db2.gz OJMRYWBPYFFIMT-CYBMUJFWSA-N 1 0 314.386 0.883 20 5 DCBDRO CC(C)(C)CC[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001672617157 1175134270 /nfs/dbraw/zinc/13/42/70/1175134270.db2.gz QFDHUCFDBUCWIO-VXGBXAGGSA-N 1 0 301.387 0.498 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000725373190 658606626 /nfs/dbraw/zinc/60/66/26/658606626.db2.gz BMWUDCNUYNUDJU-WDEREUQCSA-N 1 0 311.363 0.825 20 5 DCBDRO Cc1ncccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063920 658817469 /nfs/dbraw/zinc/81/74/69/658817469.db2.gz PACSDOPVIYHCPF-XJFOESAGSA-N 1 0 304.350 0.792 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064165 658822180 /nfs/dbraw/zinc/82/21/80/658822180.db2.gz YYDPHJRKMRICOJ-YVECIDJPSA-N 1 0 308.313 0.623 20 5 DCBDRO C[NH+]1CCC(OCC(=O)OCCn2ccc([N+](=O)[O-])n2)CC1 ZINC000923789825 659467370 /nfs/dbraw/zinc/46/73/70/659467370.db2.gz QSNQHNRKWPFTIU-UHFFFAOYSA-N 1 0 312.326 0.445 20 5 DCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000262025383 661966019 /nfs/dbraw/zinc/96/60/19/661966019.db2.gz YDHSGNVIADCCNX-VIFPVBQESA-N 1 0 310.310 0.115 20 5 DCBDRO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ncn1 ZINC000983652407 661997817 /nfs/dbraw/zinc/99/78/17/661997817.db2.gz CCXNBKQGUXJEKB-HBJVGIJOSA-N 1 0 319.365 0.435 20 5 DCBDRO CCc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983652392 661997881 /nfs/dbraw/zinc/99/78/81/661997881.db2.gz CATKFRVXIHVXTL-XIDUGBJDSA-N 1 0 322.365 0.887 20 5 DCBDRO COc1c(O)ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000895210689 662148315 /nfs/dbraw/zinc/14/83/15/662148315.db2.gz QSDNDEAJTABERL-NWDGAFQWSA-N 1 0 323.349 0.560 20 5 DCBDRO CNc1nccc(C(=O)N2CC([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000898604638 663097052 /nfs/dbraw/zinc/09/70/52/663097052.db2.gz JDLNOLMVFYWXKM-UHFFFAOYSA-N 1 0 305.338 0.952 20 5 DCBDRO COc1ccc([C@H](C[NH2+]CC[N+](=O)[O-])N2CCOCC2)cc1 ZINC000899860303 663194479 /nfs/dbraw/zinc/19/44/79/663194479.db2.gz QUWIPRGQDGPXKM-HNNXBMFYSA-N 1 0 309.366 0.935 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903877559 663491679 /nfs/dbraw/zinc/49/16/79/663491679.db2.gz VJKWBFWJPUOCGK-LBPRGKRZSA-N 1 0 322.365 0.844 20 5 DCBDRO CN1CC[N@H+](C)CC(C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 ZINC000906341505 663612536 /nfs/dbraw/zinc/61/25/36/663612536.db2.gz LRSIAAZKUCILLB-UHFFFAOYSA-N 1 0 306.366 0.704 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000912606031 664193062 /nfs/dbraw/zinc/19/30/62/664193062.db2.gz HZXDSWRLYJRYEF-UHFFFAOYSA-N 1 0 324.381 0.414 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000861511434 666936909 /nfs/dbraw/zinc/93/69/09/666936909.db2.gz FIIDUNYTKBXPFL-UHFFFAOYSA-N 1 0 314.729 0.994 20 5 DCBDRO C[NH+](C)CCOCCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000788070490 666987825 /nfs/dbraw/zinc/98/78/25/666987825.db2.gz GPMMZBCFTSJNEZ-UHFFFAOYSA-N 1 0 323.396 0.513 20 5 DCBDRO Cc1ccc(CN2C(=O)N[C@@H](C[NH+](C)C)C2=O)cc1[N+](=O)[O-] ZINC000925043203 668269546 /nfs/dbraw/zinc/26/95/46/668269546.db2.gz BAEOXKHIAXMOKR-NSHDSACASA-N 1 0 306.322 0.885 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877376335 668611622 /nfs/dbraw/zinc/61/16/22/668611622.db2.gz QSSONCHAFULCPQ-SMDDNHRTSA-N 1 0 307.354 0.558 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000930942115 669109117 /nfs/dbraw/zinc/10/91/17/669109117.db2.gz DFBZYGOAQXVNGQ-GFCCVEGCSA-N 1 0 309.370 0.946 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CCC([N@@H+]3CCCOCC3)CC2)n1 ZINC000931288553 669174608 /nfs/dbraw/zinc/17/46/08/669174608.db2.gz NPJQUWOPIOSTHP-UHFFFAOYSA-N 1 0 323.397 0.978 20 5 DCBDRO CC1([NH+]2CCC2)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000880473453 669215627 /nfs/dbraw/zinc/21/56/27/669215627.db2.gz ZUIPQURWEYJKHM-CQSZACIVSA-N 1 0 323.397 0.712 20 5 DCBDRO COC(=O)C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000932104450 669318905 /nfs/dbraw/zinc/31/89/05/669318905.db2.gz HBQZZNGCNUFVNU-VXGBXAGGSA-N 1 0 323.349 0.888 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935980324 669806076 /nfs/dbraw/zinc/80/60/76/669806076.db2.gz HWOLFMMAXBYOBU-XBFCOCLRSA-N 1 0 307.350 0.737 20 5 DCBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000935982528 669807916 /nfs/dbraw/zinc/80/79/16/669807916.db2.gz YLVNVPGQCSEDEK-SECBINFHSA-N 1 0 313.379 0.969 20 5 DCBDRO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC(C)(C)OC1=O ZINC000795661815 669906620 /nfs/dbraw/zinc/90/66/20/669906620.db2.gz PLVYEPKKZTZWCV-GHMZBOCLSA-N 1 0 312.326 0.178 20 5 DCBDRO C[NH+]1CCN(CCNc2nc3ccccn3c2[N+](=O)[O-])CC1 ZINC000796530402 669934052 /nfs/dbraw/zinc/93/40/52/669934052.db2.gz JZSWDBSNLANFBR-UHFFFAOYSA-N 1 0 304.354 0.902 20 5 DCBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000808220197 670399199 /nfs/dbraw/zinc/39/91/99/670399199.db2.gz ABHPWKACILDHFE-NSHDSACASA-N 1 0 311.313 0.920 20 5 DCBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000848766095 670723640 /nfs/dbraw/zinc/72/36/40/670723640.db2.gz LGXFWOCMBHLIDT-VHSXEESVSA-N 1 0 311.313 0.998 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000857110259 670885363 /nfs/dbraw/zinc/88/53/63/670885363.db2.gz RKIQHBUWUFDLKY-NSHDSACASA-N 1 0 322.369 0.559 20 5 DCBDRO C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000825870331 671473991 /nfs/dbraw/zinc/47/39/91/671473991.db2.gz HJTSCUJKPDNHDH-UHFFFAOYSA-N 1 0 321.341 0.765 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)n1 ZINC000826677826 671496355 /nfs/dbraw/zinc/49/63/55/671496355.db2.gz PETPSAQWALZTAG-LLVKDONJSA-N 1 0 307.354 0.854 20 5 DCBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000833336563 671746958 /nfs/dbraw/zinc/74/69/58/671746958.db2.gz FOOUOSQLBLFPCR-UBHSHLNASA-N 1 0 305.334 0.791 20 5 DCBDRO [NH3+]C/C=C\CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841998250 671972166 /nfs/dbraw/zinc/97/21/66/671972166.db2.gz WYWCSHFWOJWYJD-UPHRSURJSA-N 1 0 319.365 0.941 20 5 DCBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000843497510 672106039 /nfs/dbraw/zinc/10/60/39/672106039.db2.gz GZONCGHBZFBEME-JTQLQIEISA-N 1 0 324.293 0.530 20 5 DCBDRO CCn1nnc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138826 693709725 /nfs/dbraw/zinc/70/97/25/693709725.db2.gz CFUFXPGFFWDRRO-DDHJBXDOSA-N 1 0 322.369 0.008 20 5 DCBDRO CCn1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001020139578 693710759 /nfs/dbraw/zinc/71/07/59/693710759.db2.gz GOAGPGZXXQVSJB-FDYHWXHSSA-N 1 0 307.354 0.305 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1cccnc1)C2 ZINC001072727033 694657461 /nfs/dbraw/zinc/65/74/61/694657461.db2.gz XQCKTJSAHKEMMQ-ZIAGYGMSSA-N 1 0 316.361 0.781 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH2+]CCO)C1 ZINC001522218449 1159786879 /nfs/dbraw/zinc/78/68/79/1159786879.db2.gz UJEOJOQIFMENBC-CYBMUJFWSA-N 1 0 307.350 0.710 20 5 DCBDRO C[C@@]1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@@H](O)C[NH2+]1 ZINC001576330455 1164302985 /nfs/dbraw/zinc/30/29/85/1164302985.db2.gz PFPUQIZDWVPDNX-ABAIWWIYSA-N 1 0 321.333 0.297 20 5 DCBDRO CN(c1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578511509 1165035503 /nfs/dbraw/zinc/03/55/03/1165035503.db2.gz HTUWPLIFYUBAPR-MTBHXBHISA-N 1 0 317.392 0.714 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1=NOC2(C[NH2+]C2)C1 ZINC001578760473 1165097406 /nfs/dbraw/zinc/09/74/06/1165097406.db2.gz OZUGRPGKHYSATR-UHFFFAOYSA-N 1 0 305.294 0.693 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@]2(CC[NH2+]C2)C1 ZINC001578760919 1165097703 /nfs/dbraw/zinc/09/77/03/1165097703.db2.gz XSASLEXBNRZHRQ-HNNXBMFYSA-N 1 0 320.349 0.841 20 5 DCBDRO COc1cccc(C[C@H]([NH3+])C(=O)Nc2c([N+](=O)[O-])ncn2C)c1 ZINC001579274445 1165257968 /nfs/dbraw/zinc/25/79/68/1165257968.db2.gz LRADTOLYWOIDHY-NSHDSACASA-N 1 0 319.321 0.845 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)CCN2CC[NH2+]CC2)n1 ZINC001579642778 1165370704 /nfs/dbraw/zinc/37/07/04/1165370704.db2.gz VNVBFBQGVQBMAI-UHFFFAOYSA-N 1 0 307.354 0.275 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)C1 ZINC001580412975 1165595484 /nfs/dbraw/zinc/59/54/84/1165595484.db2.gz BHKUHRBVAWIULX-VIFPVBQESA-N 1 0 311.363 0.852 20 5 DCBDRO Nc1c(C(=O)N2CCOC23CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC001580431625 1165601100 /nfs/dbraw/zinc/60/11/00/1165601100.db2.gz PATWBHSCFSPLRC-UHFFFAOYSA-N 1 0 306.322 0.729 20 5 DCBDRO O=C(NCCCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cn1 ZINC001580683306 1165685684 /nfs/dbraw/zinc/68/56/84/1165685684.db2.gz SMBONJLLSSWCSD-UHFFFAOYSA-N 1 0 321.381 0.795 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1N ZINC001585614575 1166443458 /nfs/dbraw/zinc/44/34/58/1166443458.db2.gz UDFWPRKTBFRZRU-UHFFFAOYSA-N 1 0 310.354 0.827 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@H]21 ZINC001591024569 1167084556 /nfs/dbraw/zinc/08/45/56/1167084556.db2.gz FRQWKIPEZANSND-IAZYJMLFSA-N 1 0 315.337 0.771 20 5 DCBDRO CN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC001597658837 1168010104 /nfs/dbraw/zinc/01/01/04/1168010104.db2.gz QRYWEADJCCRNAJ-UHFFFAOYSA-N 1 0 323.353 0.015 20 5 DCBDRO COc1cccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001597699659 1168011210 /nfs/dbraw/zinc/01/12/10/1168011210.db2.gz FNGPFWIXCOKCLN-JTQLQIEISA-N 1 0 321.333 0.806 20 5 DCBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001603839958 1169408828 /nfs/dbraw/zinc/40/88/28/1169408828.db2.gz OQTFEBVNFALNGZ-GMSGAONNSA-N 1 0 304.314 0.674 20 5 DCBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001603839960 1169408898 /nfs/dbraw/zinc/40/88/98/1169408898.db2.gz OQTFEBVNFALNGZ-XCBNKYQSSA-N 1 0 304.314 0.674 20 5 DCBDRO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC1(CO)CC1 ZINC001604795706 1169685699 /nfs/dbraw/zinc/68/56/99/1169685699.db2.gz WRUDCZOYMMONNR-UHFFFAOYSA-N 1 0 318.337 0.979 20 5 DCBDRO C[NH+]1CCC(Nc2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001604855960 1169710760 /nfs/dbraw/zinc/71/07/60/1169710760.db2.gz QACUPIBFIZPPIG-UHFFFAOYSA-N 1 0 318.341 0.863 20 5 DCBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1(C)C ZINC001604868514 1169720874 /nfs/dbraw/zinc/72/08/74/1169720874.db2.gz BAOOVQLNVIBNAL-UHFFFAOYSA-N 1 0 318.341 0.700 20 5 DCBDRO [NH3+]Cc1nccnc1N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001612453883 1171361368 /nfs/dbraw/zinc/36/13/68/1171361368.db2.gz KBPWFRNJVGNECC-UHFFFAOYSA-N 1 0 315.337 0.565 20 5 DCBDRO O=C1N[C@@H](C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)CO1 ZINC001620631916 1171405546 /nfs/dbraw/zinc/40/55/46/1171405546.db2.gz GIWZUXRFNUNOFR-LLVKDONJSA-N 1 0 309.326 0.612 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC001623260861 1171435372 /nfs/dbraw/zinc/43/53/72/1171435372.db2.gz SGGZLSUIKASVJJ-JTQLQIEISA-N 1 0 323.353 0.378 20 5 DCBDRO O=C(c1[nH]nc([N+](=O)[O-])c1Cl)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001635940932 1171717585 /nfs/dbraw/zinc/71/75/85/1171717585.db2.gz ITPSKIWYDCHPGZ-ZCFIWIBFSA-N 1 0 315.717 0.174 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001638118000 1171787230 /nfs/dbraw/zinc/78/72/30/1171787230.db2.gz BVIAENPYPXYRQU-LLVKDONJSA-N 1 0 323.349 0.790 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC001642675656 1171954352 /nfs/dbraw/zinc/95/43/52/1171954352.db2.gz DARHNKRNZNDBOI-UHFFFAOYSA-N 1 0 322.365 0.706 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC001643421486 1171976481 /nfs/dbraw/zinc/97/64/81/1171976481.db2.gz HVCVDRJSTFVVND-WCQYABFASA-N 1 0 311.338 0.134 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])[C@H]2C1 ZINC001648175538 1173067868 /nfs/dbraw/zinc/06/78/68/1173067868.db2.gz UGGRIQGSNOMBNA-INTQDDNPSA-N 1 0 305.338 0.642 20 5 DCBDRO C[NH+]1C[C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@]2(C)C1 ZINC001651302176 1173745960 /nfs/dbraw/zinc/74/59/60/1173745960.db2.gz ZVBISEUTKHBHMY-GJZGRUSLSA-N 1 0 319.365 0.867 20 5 DCBDRO C[NH+]1C[C@]2(C)CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@@]2(C)C1 ZINC001651302177 1173746253 /nfs/dbraw/zinc/74/62/53/1173746253.db2.gz ZVBISEUTKHBHMY-HUUCEWRRSA-N 1 0 319.365 0.867 20 5 DCBDRO C[NH+](C)CC[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001651418315 1173747959 /nfs/dbraw/zinc/74/79/59/1173747959.db2.gz CBPKEIHMNZNIRQ-SNVBAGLBSA-N 1 0 307.354 0.867 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652687097 1173774496 /nfs/dbraw/zinc/77/44/96/1173774496.db2.gz KMIQHZLPWCKFAT-NSHDSACASA-N 1 0 321.333 0.563 20 5 DCBDRO CNS(=O)(=O)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001658692346 1173924694 /nfs/dbraw/zinc/92/46/94/1173924694.db2.gz CFYQOKOHMCCFTN-UHFFFAOYSA-N 1 0 301.368 0.666 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001658942434 1173926858 /nfs/dbraw/zinc/92/68/58/1173926858.db2.gz BXEUJRWIMYTRIR-RISCZKNCSA-N 1 0 323.349 0.517 20 5 DCBDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC001660564377 1174014844 /nfs/dbraw/zinc/01/48/44/1174014844.db2.gz JSDOXFHDMSWDLY-WMFZZOQLSA-N 1 0 314.367 0.660 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1CC=CC1 ZINC001663865639 1174364540 /nfs/dbraw/zinc/36/45/40/1174364540.db2.gz RIPNESDAOIIMBJ-UHFFFAOYSA-N 1 0 307.354 0.843 20 5 DCBDRO CCn1nnc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668821744 1174844382 /nfs/dbraw/zinc/84/43/82/1174844382.db2.gz RFDGURYVVYATKZ-XLMCQVRKSA-N 1 0 322.369 0.034 20 5 DCBDRO CCCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001691933570 1177386365 /nfs/dbraw/zinc/38/63/65/1177386365.db2.gz KTBRLERXZDNSMM-ZIAGYGMSSA-N 1 0 312.414 0.528 20 5 DCBDRO CCc1nocc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732850347 1186012616 /nfs/dbraw/zinc/01/26/16/1186012616.db2.gz VIYHILALAGGBKB-CWBMUHOVSA-N 1 0 308.338 0.664 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]C/C=C\Cl)CC1 ZINC001733883315 1186485060 /nfs/dbraw/zinc/48/50/60/1186485060.db2.gz MFZWGRLBUWBYAT-UGJREKFNSA-N 1 0 317.773 0.347 20 5 DCBDRO COC(=O)c1cnc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000357711395 719384272 /nfs/dbraw/zinc/38/42/72/719384272.db2.gz UHNQIHOAVRIXAR-VXGBXAGGSA-N 1 0 322.321 0.296 20 5 DCBDRO C[NH2+]CCNc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-] ZINC001167721859 747890112 /nfs/dbraw/zinc/89/01/12/747890112.db2.gz QTJBAXVBKMNROP-UHFFFAOYSA-N 1 0 309.735 0.073 20 5 DCBDRO CCNC(=O)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126002023 748181880 /nfs/dbraw/zinc/18/18/80/748181880.db2.gz BFCODTNIQQUBQN-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO CNC(=O)CCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126012133 748184936 /nfs/dbraw/zinc/18/49/36/748184936.db2.gz WWFLIKDKTUMAEY-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO CC(=O)Nc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126932055 750142949 /nfs/dbraw/zinc/14/29/49/750142949.db2.gz GQHFMWFYTHGRSV-ZIAGYGMSSA-N 1 0 320.349 0.516 20 5 DCBDRO Cn1c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc2ccccc21 ZINC001126931905 750143070 /nfs/dbraw/zinc/14/30/70/750143070.db2.gz DVBYAIYHUXLBJA-ZWNOBZJWSA-N 1 0 317.349 0.444 20 5 DCBDRO Cn1ccc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001126966595 750283877 /nfs/dbraw/zinc/28/38/77/750283877.db2.gz VKKCQFYSZDPUDA-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO Cc1oncc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048814720 754956872 /nfs/dbraw/zinc/95/68/72/754956872.db2.gz ZQXRDKJRMPOHIA-XJFOESAGSA-N 1 0 320.349 0.538 20 5 DCBDRO O=C(CN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169029664 760550316 /nfs/dbraw/zinc/55/03/16/760550316.db2.gz UYVVZXOABZZCGP-HUUCEWRRSA-N 1 0 324.425 0.672 20 5 DCBDRO CS(=O)(=O)N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]C1 ZINC001169041741 760556984 /nfs/dbraw/zinc/55/69/84/760556984.db2.gz CHEGKBOAJYLVPB-QJPTWQEYSA-N 1 0 305.400 0.445 20 5 DCBDRO CN1CCN(C)C2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169018455 760559717 /nfs/dbraw/zinc/55/97/17/760559717.db2.gz CFPQHDKSDXBTOU-ZIAGYGMSSA-N 1 0 324.425 0.670 20 5 DCBDRO Cn1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001123353451 767967654 /nfs/dbraw/zinc/96/76/54/767967654.db2.gz JFWWRKKSDSLBQD-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123804183 768059921 /nfs/dbraw/zinc/05/99/21/768059921.db2.gz FETSMHWGINJGIW-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123811373 768061080 /nfs/dbraw/zinc/06/10/80/768061080.db2.gz ZGEXPPSUYBWHGI-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO C[NH+]1CCN(C(=N)Nc2c([N+](=O)[O-])cc[n+]([O-])c2Cl)CC1 ZINC001157914654 763130530 /nfs/dbraw/zinc/13/05/30/763130530.db2.gz DKOBOGAWOWOFTD-UHFFFAOYSA-N 1 0 314.733 0.476 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)C[NH+]2CCCC2)n1 ZINC001100115205 763325924 /nfs/dbraw/zinc/32/59/24/763325924.db2.gz CSEZSMSFXRUBCE-UHFFFAOYSA-N 1 0 321.381 0.946 20 5 DCBDRO CN(CC[NH3+])CCNc1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001170504228 763387237 /nfs/dbraw/zinc/38/72/37/763387237.db2.gz DPVVDPFPGJYPEW-UHFFFAOYSA-N 1 0 307.398 0.885 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1c[nH]c(=O)cn1 ZINC001133016030 764788106 /nfs/dbraw/zinc/78/81/06/764788106.db2.gz LUGNQIYZBDAJGJ-UHFFFAOYSA-N 1 0 317.305 0.198 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnnc1 ZINC001134284388 765458605 /nfs/dbraw/zinc/45/86/05/765458605.db2.gz WUVFTXBTVCEPAQ-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)n1 ZINC001135244448 765849888 /nfs/dbraw/zinc/84/98/88/765849888.db2.gz ABFBNKQDFIXKPG-OUAUKWLOSA-N 1 0 307.354 0.881 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001170993418 766376123 /nfs/dbraw/zinc/37/61/23/766376123.db2.gz YCXPTGQGGROGFU-UHFFFAOYSA-N 1 0 308.298 0.194 20 5 DCBDRO NC(=O)CCCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147119107 767647151 /nfs/dbraw/zinc/64/71/51/767647151.db2.gz MNTANRFCALPVAT-UHFFFAOYSA-N 1 0 322.365 0.846 20 5 DCBDRO O=C(Cc1nc[nH]n1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147278180 767703765 /nfs/dbraw/zinc/70/37/65/767703765.db2.gz UGVQZDJYJHSWKL-UHFFFAOYSA-N 1 0 304.310 0.161 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Cl)nc2cc[nH]c21 ZINC001234067792 769542807 /nfs/dbraw/zinc/54/28/07/769542807.db2.gz KXXOHWVEQALJTB-MRVPVSSYSA-N 1 0 313.765 0.974 20 5 DCBDRO COC(=O)CNC(=O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220307 769564137 /nfs/dbraw/zinc/56/41/37/769564137.db2.gz XXENAVYRLLGMES-JTQLQIEISA-N 1 0 309.322 0.405 20 5 DCBDRO O=C(Cn1ccnc1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001153487739 769826607 /nfs/dbraw/zinc/82/66/07/769826607.db2.gz LEUMPRXRGQAYOL-UHFFFAOYSA-N 1 0 303.322 0.697 20 5 DCBDRO O=C(Cn1cncn1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001175464920 769904578 /nfs/dbraw/zinc/90/45/78/769904578.db2.gz QUDQLIIOVAXJCI-UHFFFAOYSA-N 1 0 324.366 0.544 20 5 DCBDRO CCO[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C[NH+](C)C ZINC001154442505 770182241 /nfs/dbraw/zinc/18/22/41/770182241.db2.gz KKZYMYWBLMMNCO-VIFPVBQESA-N 1 0 311.342 0.269 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@H]2COCCC23C[NH2+]C3)n1 ZINC001155470131 770512756 /nfs/dbraw/zinc/51/27/56/770512756.db2.gz RRAKAMSUFMGXAF-VIFPVBQESA-N 1 0 309.326 0.492 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cnc3ccc([N+](=O)[O-])cc3n2)N1 ZINC001155570697 770547609 /nfs/dbraw/zinc/54/76/09/770547609.db2.gz OVRJNDJHHGLURN-RISCZKNCSA-N 1 0 314.305 0.528 20 5 DCBDRO Cc1nc(Cl)nc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-] ZINC001156231650 770757727 /nfs/dbraw/zinc/75/77/27/770757727.db2.gz LBDOLWOJTNNOPA-UHFFFAOYSA-N 1 0 309.735 0.071 20 5 DCBDRO Cn1ccc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c1 ZINC001156552664 770852777 /nfs/dbraw/zinc/85/27/77/770852777.db2.gz LGEBXIRVDRNFAA-UHFFFAOYSA-N 1 0 320.353 0.577 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001157116246 771539257 /nfs/dbraw/zinc/53/92/57/771539257.db2.gz NNWOPQVOPSSALC-SECBINFHSA-N 1 0 312.326 0.999 20 5 DCBDRO Cc1cc[nH]c1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001157330495 771588216 /nfs/dbraw/zinc/58/82/16/771588216.db2.gz CCSDYPNPXMDVQG-UHFFFAOYSA-N 1 0 320.353 0.875 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1nc(CC[NH3+])nc1C ZINC001158130419 771729504 /nfs/dbraw/zinc/72/95/04/771729504.db2.gz ALSAZMSYOBHWAI-UHFFFAOYSA-N 1 0 320.309 0.557 20 5 DCBDRO CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)[C@H]1CCC[NH2+]C1 ZINC001158205190 771740955 /nfs/dbraw/zinc/74/09/55/771740955.db2.gz NFOPZLGYMAAIHO-VIFPVBQESA-N 1 0 311.342 0.980 20 5 DCBDRO COc1nc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258439 771747741 /nfs/dbraw/zinc/74/77/41/771747741.db2.gz ZABJVQACKRQVBV-JTQLQIEISA-N 1 0 322.369 0.395 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2CCO[C@@H](C[NH+]3CCCC3)C2)n1 ZINC001158309061 771756560 /nfs/dbraw/zinc/75/65/60/771756560.db2.gz AJOAUFQEWJUXPL-LBPRGKRZSA-N 1 0 307.354 0.994 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001158310308 771757288 /nfs/dbraw/zinc/75/72/88/771757288.db2.gz ZABUVEXQVXOEEN-CYBMUJFWSA-N 1 0 322.365 0.838 20 5 DCBDRO [NH3+][C@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)CC12COC2 ZINC001158762627 771818644 /nfs/dbraw/zinc/81/86/44/771818644.db2.gz QQIHFPLAHFTBMS-LBPRGKRZSA-N 1 0 301.306 0.702 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001159502588 771921124 /nfs/dbraw/zinc/92/11/24/771921124.db2.gz NTVHJNABUDMNPL-GMSGAONNSA-N 1 0 324.341 0.440 20 5 DCBDRO CN(C)/C=C/c1cc(N[C@@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159679018 771943768 /nfs/dbraw/zinc/94/37/68/771943768.db2.gz AUSGIUXHUSLPQU-BLDJZWNYSA-N 1 0 307.354 0.514 20 5 DCBDRO [NH3+]CCN(CCNc1nccc(Cl)c1[N+](=O)[O-])N(O)N=O ZINC001161087391 772165448 /nfs/dbraw/zinc/16/54/48/772165448.db2.gz MOYIZBBTRYIBAD-UHFFFAOYSA-N 1 0 319.709 0.603 20 5 DCBDRO COc1c(F)cc(N(CC[NH3+])S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001162129147 772330789 /nfs/dbraw/zinc/33/07/89/772330789.db2.gz UDSGTMWZARBMHK-UHFFFAOYSA-N 1 0 307.303 0.467 20 5 DCBDRO CCCOC(=O)CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001162492136 772380297 /nfs/dbraw/zinc/38/02/97/772380297.db2.gz QRECULSMWJYVKT-UHFFFAOYSA-N 1 0 324.341 0.160 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc([N+](=O)[O-])cc1NC ZINC001162533313 772387682 /nfs/dbraw/zinc/38/76/82/772387682.db2.gz QAMUTSRYSXQHIO-UHFFFAOYSA-N 1 0 320.309 0.853 20 5 DCBDRO COc1nc(C)nc(NCC[C@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163082994 772457669 /nfs/dbraw/zinc/45/76/69/772457669.db2.gz XDUZMFVXUKULSX-JTQLQIEISA-N 1 0 323.353 0.882 20 5 DCBDRO COc1c(F)cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163246853 772489908 /nfs/dbraw/zinc/48/99/08/772489908.db2.gz BGNZDOCKPLBJJD-GXFFZTMASA-N 1 0 310.285 0.733 20 5 DCBDRO Cc1c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163250632 772491463 /nfs/dbraw/zinc/49/14/63/772491463.db2.gz OVSWSCMUJFDRLS-GXFFZTMASA-N 1 0 321.293 0.801 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3ncc([N+](=O)[O-])n3c2)N1 ZINC001163253155 772492604 /nfs/dbraw/zinc/49/26/04/772492604.db2.gz YGFGWAQRBTTYIB-ZANVPECISA-N 1 0 302.294 0.233 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163284144 772498387 /nfs/dbraw/zinc/49/83/87/772498387.db2.gz KPHWRZFNWARQFQ-RISCZKNCSA-N 1 0 308.338 0.799 20 5 DCBDRO NC(=O)c1nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001163307223 772503648 /nfs/dbraw/zinc/50/36/48/772503648.db2.gz XBBFPWNABAJVJX-LKFCYVNXSA-N 1 0 321.337 0.412 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cnc3c2C[NH2+]CC3)n1 ZINC001164316929 772645497 /nfs/dbraw/zinc/64/54/97/772645497.db2.gz KJVIIGDLXSMKNQ-UHFFFAOYSA-N 1 0 303.278 0.608 20 5 DCBDRO Cc1nc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)ncc1[N+](=O)[O-] ZINC001164380498 772652938 /nfs/dbraw/zinc/65/29/38/772652938.db2.gz WPWCZUJIAQLPBV-SMDDNHRTSA-N 1 0 323.353 0.331 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001165270443 772713890 /nfs/dbraw/zinc/71/38/90/772713890.db2.gz FKHSJEUSDAUFJM-UWVGGRQHSA-N 1 0 309.326 0.269 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CC(C)(F)F ZINC001166054465 772780188 /nfs/dbraw/zinc/78/01/88/772780188.db2.gz RRIRZQNCBJUNJH-UHFFFAOYSA-N 1 0 319.312 0.970 20 5 DCBDRO COC(=O)C1(Nc2ncnc3[nH]cc([N+](=O)[O-])c32)CC[NH2+]CC1 ZINC001166931081 772883633 /nfs/dbraw/zinc/88/36/33/772883633.db2.gz HEBUAHCGEZPJEZ-UHFFFAOYSA-N 1 0 320.309 0.573 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001166964177 772891439 /nfs/dbraw/zinc/89/14/39/772891439.db2.gz ZHYYLVUPZFJPSD-PELKAZGASA-N 1 0 317.305 0.617 20 5 DCBDRO CN(C(=O)CN1CC[C@@H](O)[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC001195213559 773349992 /nfs/dbraw/zinc/34/99/92/773349992.db2.gz BJIMFVAKSBSWEH-BXUZGUMPSA-N 1 0 323.349 0.233 20 5 DCBDRO O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC[C@@H]1C[C@@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217884954 774205389 /nfs/dbraw/zinc/20/53/89/774205389.db2.gz WKDCBMSPNOTDMX-BJDJZHNGSA-N 1 0 324.337 0.336 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccnc(C(F)(F)F)n1 ZINC001225834752 775728086 /nfs/dbraw/zinc/72/80/86/775728086.db2.gz AJPDAGUIQVRPKQ-MRVPVSSYSA-N 1 0 308.280 0.858 20 5 DCBDRO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O[C@H]1CC[N@H+](C)C1 ZINC001226307288 775796929 /nfs/dbraw/zinc/79/69/29/775796929.db2.gz HURPUDABPILKCN-QMMMGPOBSA-N 1 0 311.294 0.955 20 5 DCBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ncc([N+](=O)[O-])cn3)C[C@H]1[N@@H+]2C ZINC001226734539 775870909 /nfs/dbraw/zinc/87/09/09/775870909.db2.gz YBLUCTHJSMPSJA-FTYKPCCVSA-N 1 0 322.321 0.930 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C2CC2)CCC1 ZINC001273031953 945209404 /nfs/dbraw/zinc/20/94/04/945209404.db2.gz FCJUDDZNYQXBHU-UHFFFAOYSA-N 1 0 307.354 0.867 20 5 DCBDRO C[N@H+](CCCC1CCOCC1)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267194141 939381155 /nfs/dbraw/zinc/38/11/55/939381155.db2.gz JEMUHQZWINNMPX-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1nccs1 ZINC001481294044 939724475 /nfs/dbraw/zinc/72/44/75/939724475.db2.gz PELXRKGKMRNOTC-UHFFFAOYSA-N 1 0 324.366 0.647 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001485259608 943776073 /nfs/dbraw/zinc/77/60/73/943776073.db2.gz ZFVGGOHYZWVGJT-UHFFFAOYSA-N 1 0 322.365 0.654 20 5 DCBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC001462256169 1013056675 /nfs/dbraw/zinc/05/66/75/1013056675.db2.gz VJXOJVLMSUIMFL-CYBMUJFWSA-N 1 0 314.363 0.277 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3C[NH2+]C[C@@H]3CO)CC2)cc1 ZINC001246300204 945379580 /nfs/dbraw/zinc/37/95/80/945379580.db2.gz QFBMJQKVCSZKEB-MLGOLLRUSA-N 1 0 320.393 0.734 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCNC[C@]13CC[NH2+]C3)C2 ZINC001246626599 945446731 /nfs/dbraw/zinc/44/67/31/945446731.db2.gz SMPVAOUYPIQJOU-HZPDHXFCSA-N 1 0 302.378 0.699 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCN[C@@]3(CC[NH2+]C3)C1)C2 ZINC001246641976 945452785 /nfs/dbraw/zinc/45/27/85/945452785.db2.gz KKUPVLSWCFAYNJ-HZPDHXFCSA-N 1 0 302.378 0.699 20 5 DCBDRO COC(=O)[C@@H]1CN([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1[NH3+] ZINC001246933265 945521575 /nfs/dbraw/zinc/52/15/75/945521575.db2.gz RRENXBPILXTCBB-BFHYXJOUSA-N 1 0 305.334 0.494 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@]23C[NH2+]C[C@H]2CCN3)n1 ZINC001247838045 945577535 /nfs/dbraw/zinc/57/75/35/945577535.db2.gz RPVUKILTCMYWCV-FUXBKTLASA-N 1 0 320.284 0.587 20 5 DCBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001321386224 946305633 /nfs/dbraw/zinc/30/56/33/946305633.db2.gz KNRMANUAXLJEHY-QJPTWQEYSA-N 1 0 312.326 0.084 20 5 DCBDRO CN(CCNS(C)(=O)=O)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC001321423818 946326891 /nfs/dbraw/zinc/32/68/91/946326891.db2.gz KIORXGNKEUKUIL-UHFFFAOYSA-N 1 0 305.331 0.715 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001321463111 946338668 /nfs/dbraw/zinc/33/86/68/946338668.db2.gz YDXSOIMPKIGIHJ-UHFFFAOYSA-N 1 0 318.377 0.975 20 5 DCBDRO CS(=O)(=O)N1CC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574702 946410812 /nfs/dbraw/zinc/41/08/12/946410812.db2.gz KGKNTMPTJCHCPX-NSHDSACASA-N 1 0 311.363 0.295 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC001322358557 946659446 /nfs/dbraw/zinc/65/94/46/946659446.db2.gz QDYMRHQOZXLJMO-UHFFFAOYSA-N 1 0 304.350 0.667 20 5 DCBDRO COC(=O)CNC(=O)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001462514186 1013071093 /nfs/dbraw/zinc/07/10/93/1013071093.db2.gz QHLAGXRNDAKHBU-UHFFFAOYSA-N 1 0 309.322 0.590 20 5 DCBDRO [NH3+]CCCn1cc(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC001261434768 947291827 /nfs/dbraw/zinc/29/18/27/947291827.db2.gz VIOOIBXSKIUUTO-UHFFFAOYSA-N 1 0 316.321 0.691 20 5 DCBDRO Cc1nc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ncc1[N+](=O)[O-] ZINC001324416880 947421244 /nfs/dbraw/zinc/42/12/44/947421244.db2.gz KFLNNAZWYFRABY-CYBMUJFWSA-N 1 0 320.397 0.909 20 5 DCBDRO CN1CC[NH+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001325609942 947854872 /nfs/dbraw/zinc/85/48/72/947854872.db2.gz CJOFBUKVVMSDIU-UHFFFAOYSA-N 1 0 310.358 0.075 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccnn2CC[NH+](C)C)n1 ZINC001326395632 948147222 /nfs/dbraw/zinc/14/72/22/948147222.db2.gz YBNLKBIHSITCCK-UHFFFAOYSA-N 1 0 307.314 0.339 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327546233 948546422 /nfs/dbraw/zinc/54/64/22/948546422.db2.gz UTTKUOFFLRFEOJ-JTQLQIEISA-N 1 0 320.349 0.409 20 5 DCBDRO COCC[NH2+]C1CCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001328874202 949160522 /nfs/dbraw/zinc/16/05/22/949160522.db2.gz ZDEZWODQXPTWSO-UHFFFAOYSA-N 1 0 311.342 0.169 20 5 DCBDRO CCCCC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001265258156 949502877 /nfs/dbraw/zinc/50/28/77/949502877.db2.gz AQHNVIOIEVFVEU-ZIAGYGMSSA-N 1 0 312.414 0.576 20 5 DCBDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC001330694562 950593388 /nfs/dbraw/zinc/59/33/88/950593388.db2.gz JZZURDBXJAFXQT-LLVKDONJSA-N 1 0 307.354 0.782 20 5 DCBDRO Cc1nc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC001333872448 952183035 /nfs/dbraw/zinc/18/30/35/952183035.db2.gz KTALDXQEEZRTEI-RYUDHWBXSA-N 1 0 307.354 0.729 20 5 DCBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001335217465 952488545 /nfs/dbraw/zinc/48/85/45/952488545.db2.gz PXCPQKPFNJVUHH-GXFFZTMASA-N 1 0 320.349 0.120 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001335301824 952516077 /nfs/dbraw/zinc/51/60/77/952516077.db2.gz YYKKGCFZGFOYBU-UHFFFAOYSA-N 1 0 322.365 0.918 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC001336082939 952642744 /nfs/dbraw/zinc/64/27/44/952642744.db2.gz XIWZYOMVNAPJTM-GFCCVEGCSA-N 1 0 307.354 0.700 20 5 DCBDRO C[NH+]1CCC(C)(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001337483414 952864500 /nfs/dbraw/zinc/86/45/00/952864500.db2.gz RXKFNCXAXRBERR-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001340748766 953192394 /nfs/dbraw/zinc/19/23/94/953192394.db2.gz QGVFYEHAFHGWAS-CYBMUJFWSA-N 1 0 309.366 0.911 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341232125 953219009 /nfs/dbraw/zinc/21/90/09/953219009.db2.gz HQHVFRGEPXLKKL-OAHLLOKOSA-N 1 0 320.349 0.501 20 5 DCBDRO CN1CC[NH2+]C[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001341805595 953251292 /nfs/dbraw/zinc/25/12/92/953251292.db2.gz LOIIAMBZTXSZPK-HNNXBMFYSA-N 1 0 318.377 0.989 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001343104317 953322462 /nfs/dbraw/zinc/32/24/62/953322462.db2.gz LZVFIFOSRAFDCC-GFCCVEGCSA-N 1 0 322.365 0.844 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345189657 953610465 /nfs/dbraw/zinc/61/04/65/953610465.db2.gz DHGOQHKABGKHGW-UHFFFAOYSA-N 1 0 320.349 0.553 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC001347176126 954040164 /nfs/dbraw/zinc/04/01/64/954040164.db2.gz ZOTVKMYJFPQWSJ-OAHLLOKOSA-N 1 0 307.350 0.662 20 5 DCBDRO NC(=O)c1cc(N2CCC([NH2+]CCO)CC2)ccc1[N+](=O)[O-] ZINC001347230942 954051543 /nfs/dbraw/zinc/05/15/43/954051543.db2.gz IVFMPZSVAWYRSU-UHFFFAOYSA-N 1 0 308.338 0.244 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001348971316 954552406 /nfs/dbraw/zinc/55/24/06/954552406.db2.gz TUHVBNVSVIDPQH-NEPJUHHUSA-N 1 0 320.349 0.309 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001353286904 956005042 /nfs/dbraw/zinc/00/50/42/956005042.db2.gz YWADLRCOPRGMSX-DRZSPHRISA-N 1 0 321.381 0.983 20 5 DCBDRO C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)c1ccccc1[N+](=O)[O-] ZINC001355316823 956634235 /nfs/dbraw/zinc/63/42/35/956634235.db2.gz SFBGVSFTCKTQFG-FZMZJTMJSA-N 1 0 306.366 0.718 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001355559496 956676062 /nfs/dbraw/zinc/67/60/62/956676062.db2.gz PMDKXJDAMZMZCZ-ZDUSSCGKSA-N 1 0 307.350 0.974 20 5 DCBDRO O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001357939224 957405153 /nfs/dbraw/zinc/40/51/53/957405153.db2.gz SRGBCCLTHURNIF-BNOWGMLFSA-N 1 0 305.334 0.803 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC001473566993 1016949048 /nfs/dbraw/zinc/94/90/48/1016949048.db2.gz GXXADUFHMAOWAH-OLZOCXBDSA-N 1 0 310.354 0.532 20 5 DCBDRO COc1c(O)ccc(C[NH2+][C@]2(CCO)CCOC2)c1[N+](=O)[O-] ZINC001474476498 1017016088 /nfs/dbraw/zinc/01/60/88/1017016088.db2.gz DFMPRWFDIYMMBV-CQSZACIVSA-N 1 0 312.322 0.940 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001452139222 1006627528 /nfs/dbraw/zinc/62/75/28/1006627528.db2.gz SJDFKILZPHHKBM-TXEJJXNPSA-N 1 0 320.349 0.500 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001520037878 1017242996 /nfs/dbraw/zinc/24/29/96/1017242996.db2.gz UTMHGMOEMWZJGW-SWLSCSKDSA-N 1 0 318.377 0.642 20 5 DCBDRO C[C@@H]1[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC001477127168 1017256584 /nfs/dbraw/zinc/25/65/84/1017256584.db2.gz GAFYOUIFLKMLKY-LDYMZIIASA-N 1 0 321.337 0.908 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001455058418 1009466885 /nfs/dbraw/zinc/46/68/85/1009466885.db2.gz VGFQHXGGKXBJOK-CQSZACIVSA-N 1 0 323.353 0.170 20 5 DCBDRO CC[C@@H](CN1CCOCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001458021611 1012043587 /nfs/dbraw/zinc/04/35/87/1012043587.db2.gz CQYZWQKZOVOQHF-JTQLQIEISA-N 1 0 324.337 0.536 20 5 DCBDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC001560171828 1012441594 /nfs/dbraw/zinc/44/15/94/1012441594.db2.gz GVHBQDANFZKCQP-LBPRGKRZSA-N 1 0 309.370 0.994 20 5 DCBDRO NC(=O)C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001460706384 1012955864 /nfs/dbraw/zinc/95/58/64/1012955864.db2.gz FKJCZLINGPUTMK-CQSZACIVSA-N 1 0 323.349 0.595 20 5 DCBDRO CN(C)C(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)[nH]1 ZINC001461312399 1013018975 /nfs/dbraw/zinc/01/89/75/1013018975.db2.gz FGVYGZUOGIEZBM-UHFFFAOYSA-N 1 0 306.326 0.611 20 5 DCBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001521208546 1017334838 /nfs/dbraw/zinc/33/48/38/1017334838.db2.gz JHKKZJMZIWBAFD-RDBSUJKOSA-N 1 0 304.350 0.978 20 5 DCBDRO COc1cccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001521788542 1017407022 /nfs/dbraw/zinc/40/70/22/1017407022.db2.gz JKFBZWZACWFJAB-HNNXBMFYSA-N 1 0 323.349 0.742 20 5 DCBDRO Cc1ncc(CN(C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001496698030 1019545968 /nfs/dbraw/zinc/54/59/68/1019545968.db2.gz IGNLHWMRIJCUOW-CHWSQXEVSA-N 1 0 307.354 0.340 20 5 DCBDRO NS(=O)(=O)C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001660447753 1173994714 /nfs/dbraw/zinc/99/47/14/1173994714.db2.gz MYZHGXRTXXFKQE-GFCCVEGCSA-N 1 0 313.379 0.748 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000272808999 210210689 /nfs/dbraw/zinc/21/06/89/210210689.db2.gz IUUHZUFAAGXSOI-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000272717993 210123238 /nfs/dbraw/zinc/12/32/38/210123238.db2.gz YXNMCHNROCZSRS-UHFFFAOYSA-N 1 0 322.365 0.754 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000331926461 234286440 /nfs/dbraw/zinc/28/64/40/234286440.db2.gz DFOVEIUESSCHIA-JQWIXIFHSA-N 1 0 323.353 0.356 20 5 DCBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000173727341 198244753 /nfs/dbraw/zinc/24/47/53/198244753.db2.gz ZMLTXWWZHIFYOH-ZDUSSCGKSA-N 1 0 320.393 0.889 20 5 DCBDRO CCC[NH2+]CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000236777985 202004614 /nfs/dbraw/zinc/00/46/14/202004614.db2.gz FUKXJQFZDRSIBI-LLVKDONJSA-N 1 0 322.365 0.829 20 5 DCBDRO Cc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000316161492 291253944 /nfs/dbraw/zinc/25/39/44/291253944.db2.gz SSPPMBZLBYGFJO-UHFFFAOYSA-N 1 0 306.322 0.065 20 5 DCBDRO [NH3+]CC[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000281627541 216432423 /nfs/dbraw/zinc/43/24/23/216432423.db2.gz CTWRGGIANHAVRU-NSHDSACASA-N 1 0 308.338 0.344 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000419763143 239954213 /nfs/dbraw/zinc/95/42/13/239954213.db2.gz ULAHHWOUFRIENA-GFCCVEGCSA-N 1 0 320.349 0.388 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000423957999 240250521 /nfs/dbraw/zinc/25/05/21/240250521.db2.gz LZKUKKAQHAOCCO-GFCCVEGCSA-N 1 0 308.338 0.390 20 5 DCBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447844155 240597568 /nfs/dbraw/zinc/59/75/68/240597568.db2.gz PEVQCRSMSNIYLY-SCRDCRAPSA-N 1 0 312.370 0.778 20 5 DCBDRO COCC[C@@]1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOC1 ZINC000567321009 291348846 /nfs/dbraw/zinc/34/88/46/291348846.db2.gz NWIZGWPOHADUBJ-OAHLLOKOSA-N 1 0 323.349 0.979 20 5 DCBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000574986653 335015001 /nfs/dbraw/zinc/01/50/01/335015001.db2.gz UEKRHJKVEODKNB-CQSZACIVSA-N 1 0 304.306 0.769 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000415305783 532956141 /nfs/dbraw/zinc/95/61/41/532956141.db2.gz VMJSBNBJXZQWLD-SECBINFHSA-N 1 0 322.321 0.362 20 5 DCBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415374953 533013574 /nfs/dbraw/zinc/01/35/74/533013574.db2.gz KXRMZSHLBNELJJ-JTQLQIEISA-N 1 0 324.312 0.883 20 5 DCBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000338869839 253003635 /nfs/dbraw/zinc/00/36/35/253003635.db2.gz LRJVHDSYQNJRSD-LLVKDONJSA-N 1 0 312.374 0.813 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)n1 ZINC000339763155 253140246 /nfs/dbraw/zinc/14/02/46/253140246.db2.gz XQEGRCUSJNQPAZ-KGLIPLIRSA-N 1 0 310.354 0.701 20 5 DCBDRO COC[C@](C)([NH3+])CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000340779073 253302163 /nfs/dbraw/zinc/30/21/63/253302163.db2.gz MGOMRIAAFYNXCP-SNVBAGLBSA-N 1 0 323.396 0.836 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSC[C@@H]1CCO ZINC000341595445 253399517 /nfs/dbraw/zinc/39/95/17/253399517.db2.gz VEDGVVKYTNXUJW-LBPRGKRZSA-N 1 0 313.379 0.556 20 5 DCBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000344431309 253781866 /nfs/dbraw/zinc/78/18/66/253781866.db2.gz BHGOQNPSYGGDID-BXUZGUMPSA-N 1 0 322.365 0.483 20 5 DCBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185089 254020661 /nfs/dbraw/zinc/02/06/61/254020661.db2.gz NSULXDRDCMOBFD-TUAOUCFPSA-N 1 0 322.369 0.375 20 5 DCBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000346695072 254083933 /nfs/dbraw/zinc/08/39/33/254083933.db2.gz YCVXWFFGKMNFEE-ZMLRMANQSA-N 1 0 312.326 0.036 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000347331672 254149124 /nfs/dbraw/zinc/14/91/24/254149124.db2.gz FUZMAWASOJNLRW-QWRGUYRKSA-N 1 0 324.385 0.777 20 5 DCBDRO C[NH+](C)CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351185426 254334757 /nfs/dbraw/zinc/33/47/57/254334757.db2.gz QWCVKWOHBDIIRN-UHFFFAOYSA-N 1 0 312.301 0.740 20 5 DCBDRO C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C[NH3+] ZINC000156912980 533658816 /nfs/dbraw/zinc/65/88/16/533658816.db2.gz HHYKCNTWJYWCFV-ZYHUDNBSSA-N 1 0 308.338 0.342 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000277294389 130599264 /nfs/dbraw/zinc/59/92/64/130599264.db2.gz OMLZASHWXPYXAA-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000289353391 131377171 /nfs/dbraw/zinc/37/71/71/131377171.db2.gz YFJPWZOGVCUTTJ-HAQNSBGRSA-N 1 0 309.370 0.981 20 5 DCBDRO NC(=O)CCC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000271090029 395837680 /nfs/dbraw/zinc/83/76/80/395837680.db2.gz HEFPDXAVKHHZRK-UHFFFAOYSA-N 1 0 322.365 0.734 20 5 DCBDRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050241886 395838018 /nfs/dbraw/zinc/83/80/18/395838018.db2.gz ZRZZDORBITZUBN-QMMMGPOBSA-N 1 0 305.743 0.970 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1COCCN1 ZINC000235762018 395893090 /nfs/dbraw/zinc/89/30/90/395893090.db2.gz BFIOVVKAGUBRMJ-SNVBAGLBSA-N 1 0 315.351 0.170 20 5 DCBDRO CCNC(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000054223586 395895420 /nfs/dbraw/zinc/89/54/20/395895420.db2.gz FIUIDDYGZMEEDO-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO C[NH2+]CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000054244757 395895916 /nfs/dbraw/zinc/89/59/16/395895916.db2.gz PIVOJKSQADQBSW-UHFFFAOYSA-N 1 0 302.356 0.476 20 5 DCBDRO NC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273169623 395904693 /nfs/dbraw/zinc/90/46/93/395904693.db2.gz OQWMEJNEAORDID-GHMZBOCLSA-N 1 0 324.337 0.077 20 5 DCBDRO CNS(=O)(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053255171 395879149 /nfs/dbraw/zinc/87/91/49/395879149.db2.gz BTLLXFJUZGICSA-VIFPVBQESA-N 1 0 314.367 0.667 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000230735428 395881415 /nfs/dbraw/zinc/88/14/15/395881415.db2.gz AWTMAAKKDFCWQD-LBPRGKRZSA-N 1 0 315.351 0.634 20 5 DCBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000246578298 395953377 /nfs/dbraw/zinc/95/33/77/395953377.db2.gz CGIIPCOTCIJTRW-RYUDHWBXSA-N 1 0 307.354 0.734 20 5 DCBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000274552936 395958101 /nfs/dbraw/zinc/95/81/01/395958101.db2.gz XZKWYHBQJKZOJA-LBPRGKRZSA-N 1 0 322.365 0.746 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000247314316 395971693 /nfs/dbraw/zinc/97/16/93/395971693.db2.gz HQSWWDKWCNGQOH-DGCLKSJQSA-N 1 0 322.365 0.555 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[NH2+]CC1 ZINC000261675384 396055368 /nfs/dbraw/zinc/05/53/68/396055368.db2.gz LWBDARHKNFNMOT-JTQLQIEISA-N 1 0 308.338 0.836 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261679589 396055416 /nfs/dbraw/zinc/05/54/16/396055416.db2.gz MIXDVQHBTFCMRJ-MFKMUULPSA-N 1 0 311.363 0.967 20 5 DCBDRO COC(=O)COc1ccc(CN(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000261744029 396061343 /nfs/dbraw/zinc/06/13/43/396061343.db2.gz BRPMYPWSCOVSDM-JTQLQIEISA-N 1 0 311.338 0.926 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261746647 396062037 /nfs/dbraw/zinc/06/20/37/396062037.db2.gz SQJLCEPGYMABAD-SNVBAGLBSA-N 1 0 310.379 0.776 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276612068 396015131 /nfs/dbraw/zinc/01/51/31/396015131.db2.gz ZKFXNPOGEHLZKQ-LLVKDONJSA-N 1 0 307.354 0.153 20 5 DCBDRO Cc1cc(C(=O)NCCN2CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000175828235 396143262 /nfs/dbraw/zinc/14/32/62/396143262.db2.gz VJEAZVNXXPQKDN-UHFFFAOYSA-N 1 0 321.381 0.463 20 5 DCBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262524060 396150769 /nfs/dbraw/zinc/15/07/69/396150769.db2.gz OPPCSQUYDYGCCM-CQSZACIVSA-N 1 0 304.350 0.715 20 5 DCBDRO C[C@H]1SCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000075749089 396186429 /nfs/dbraw/zinc/18/64/29/396186429.db2.gz CZVSPKSRGVHIHU-UMNHJUIQSA-N 1 0 300.384 0.978 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000262942761 396193171 /nfs/dbraw/zinc/19/31/71/396193171.db2.gz AFMGBDYTNVYPBK-AWEZNQCLSA-N 1 0 320.349 0.583 20 5 DCBDRO COc1cc(OCC(=O)N2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000178358358 396193589 /nfs/dbraw/zinc/19/35/89/396193589.db2.gz HZQWIXCXKAEVBZ-UHFFFAOYSA-N 1 0 309.322 0.804 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000264469758 396283108 /nfs/dbraw/zinc/28/31/08/396283108.db2.gz GCKKKIVCHMFSKE-LLVKDONJSA-N 1 0 311.342 0.018 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269139072 396388340 /nfs/dbraw/zinc/38/83/40/396388340.db2.gz TXNQVMYDZHHIQW-VIFPVBQESA-N 1 0 307.306 0.800 20 5 DCBDRO [NH3+]C[C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269154776 396390299 /nfs/dbraw/zinc/39/02/99/396390299.db2.gz FHQBOOWAIKYMGG-NSHDSACASA-N 1 0 320.349 0.522 20 5 DCBDRO COc1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000269231105 396397649 /nfs/dbraw/zinc/39/76/49/396397649.db2.gz DCCWTQMPVRJKAJ-LBPRGKRZSA-N 1 0 323.349 0.988 20 5 DCBDRO COc1ccc(CNC(=O)C2(OC)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000269262572 396401667 /nfs/dbraw/zinc/40/16/67/396401667.db2.gz RSHYZCKNTWMYIU-UHFFFAOYSA-N 1 0 323.349 0.988 20 5 DCBDRO CC(C)[NH+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)C ZINC000269617774 396429791 /nfs/dbraw/zinc/42/97/91/396429791.db2.gz MAFAQXWHJLETQK-UHFFFAOYSA-N 1 0 324.381 0.992 20 5 DCBDRO NC(=O)C[C@@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269665184 396433960 /nfs/dbraw/zinc/43/39/60/396433960.db2.gz XMTSYOAJQJDVBK-GFCCVEGCSA-N 1 0 308.338 0.236 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000192920406 396440442 /nfs/dbraw/zinc/44/04/42/396440442.db2.gz XQBGLDHYEUCAAV-PHIMTYICSA-N 1 0 311.363 0.777 20 5 DCBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@H]1C[NH2+]CCO1 ZINC000594698009 396497881 /nfs/dbraw/zinc/49/78/81/396497881.db2.gz HHKGBQNDMVIWHB-CYBMUJFWSA-N 1 0 316.317 0.807 20 5 DCBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000580936892 396512436 /nfs/dbraw/zinc/51/24/36/396512436.db2.gz XRIZCHGUEWDUEG-GFCCVEGCSA-N 1 0 319.365 0.590 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000579979061 396482705 /nfs/dbraw/zinc/48/27/05/396482705.db2.gz OOZLJYXCDBJRBZ-BDAKNGLRSA-N 1 0 310.335 0.040 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000595101826 396548728 /nfs/dbraw/zinc/54/87/28/396548728.db2.gz GDYNNUKYDJUEHY-WPRPVWTQSA-N 1 0 300.340 0.348 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)nc1 ZINC000595101231 396548873 /nfs/dbraw/zinc/54/88/73/396548873.db2.gz ADXLYRAAWVVOER-VIFPVBQESA-N 1 0 300.340 0.268 20 5 DCBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595680375 396648397 /nfs/dbraw/zinc/64/83/97/396648397.db2.gz ZYZSQCBDQZEWIU-BNOWGMLFSA-N 1 0 312.370 0.635 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294011987 396648363 /nfs/dbraw/zinc/64/83/63/396648363.db2.gz YFYQVALOZKHPOE-AWEZNQCLSA-N 1 0 307.354 0.805 20 5 DCBDRO O=C1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]2N1 ZINC000595729889 396653185 /nfs/dbraw/zinc/65/31/85/396653185.db2.gz WEXZYUTZODICTK-DGCLKSJQSA-N 1 0 320.349 0.357 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCn1cc([N+](=O)[O-])cn1 ZINC000374419445 396663533 /nfs/dbraw/zinc/66/35/33/396663533.db2.gz HKWXDSMMDZARBV-VHDGCEQUSA-N 1 0 323.397 0.975 20 5 DCBDRO CC(C)([NH3+])c1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)on1 ZINC000595955799 396694745 /nfs/dbraw/zinc/69/47/45/396694745.db2.gz IQDHOONRFYJBGX-UHFFFAOYSA-N 1 0 308.298 0.403 20 5 DCBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588861853 396695736 /nfs/dbraw/zinc/69/57/36/396695736.db2.gz VSDNUKXGBFMSFU-UONOGXRCSA-N 1 0 305.334 0.876 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588864492 396696625 /nfs/dbraw/zinc/69/66/25/396696625.db2.gz KIVRDOGDEPSCIQ-SNVBAGLBSA-N 1 0 301.730 0.901 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCN2C1=O ZINC000596014312 396708374 /nfs/dbraw/zinc/70/83/74/396708374.db2.gz NNWFXYIEKCQEKU-APPZFPTMSA-N 1 0 311.729 0.391 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCC[NH+](C)C ZINC000298404283 396709956 /nfs/dbraw/zinc/70/99/56/396709956.db2.gz KGKXSWOQZMZFQK-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO CN(CC[NH+](C)C)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596153735 396725079 /nfs/dbraw/zinc/72/50/79/396725079.db2.gz VPGCLGMQZZPNFM-UHFFFAOYSA-N 1 0 302.356 0.240 20 5 DCBDRO C[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000596542242 396793771 /nfs/dbraw/zinc/79/37/71/396793771.db2.gz OMPFAIMJFKSLKC-SWHYSGLUSA-N 1 0 322.365 0.972 20 5 DCBDRO Cc1c(C(=O)N(C)CCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000316182273 396794167 /nfs/dbraw/zinc/79/41/67/396794167.db2.gz VQBRZQSZMXJKIU-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO C[C@@H](C[NH+](C)C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596244477 396742745 /nfs/dbraw/zinc/74/27/45/396742745.db2.gz QEKXWNMXDJGEOH-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO COC(=O)C[C@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000316585678 396796583 /nfs/dbraw/zinc/79/65/83/396796583.db2.gz KEMGZSQMQQZRAX-NSHDSACASA-N 1 0 312.326 0.364 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000611236503 396841590 /nfs/dbraw/zinc/84/15/90/396841590.db2.gz JVKUBXAIEFFZCT-NSHDSACASA-N 1 0 307.354 0.886 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(C3CC3)CCOCC2)c1 ZINC000375704058 396801178 /nfs/dbraw/zinc/80/11/78/396801178.db2.gz ZWMRYDXVYLKJIZ-ZDUSSCGKSA-N 1 0 310.354 0.701 20 5 DCBDRO O=C([C@@H]1CCCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320237336 396812893 /nfs/dbraw/zinc/81/28/93/396812893.db2.gz NOOFIJZVYSDHIP-ZDUSSCGKSA-N 1 0 319.365 0.781 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000320597437 396814456 /nfs/dbraw/zinc/81/44/56/396814456.db2.gz BVRXOAIZBAZVKW-GFCCVEGCSA-N 1 0 320.305 0.671 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@@H]1COCC[NH2+]1)OCCO2 ZINC000600678488 396915706 /nfs/dbraw/zinc/91/57/06/396915706.db2.gz QUFFLJRQGYAQJE-LLVKDONJSA-N 1 0 309.322 0.444 20 5 DCBDRO CCN(CC[NH3+])Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000600771705 396940617 /nfs/dbraw/zinc/94/06/17/396940617.db2.gz AISIAUWMRGIZNI-UHFFFAOYSA-N 1 0 311.338 0.927 20 5 DCBDRO COc1ccc(CC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600807421 396945841 /nfs/dbraw/zinc/94/58/41/396945841.db2.gz CNZKRFIXGSQFEH-LBPRGKRZSA-N 1 0 323.349 0.329 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600807339 396946289 /nfs/dbraw/zinc/94/62/89/396946289.db2.gz AWNGAVOCQSLRNC-SOUVJXGZSA-N 1 0 319.361 0.881 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC[C@H](O)C1 ZINC000600810344 396947262 /nfs/dbraw/zinc/94/72/62/396947262.db2.gz YDYADGPTNHYFSQ-NSHDSACASA-N 1 0 308.338 0.190 20 5 DCBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809476 396947518 /nfs/dbraw/zinc/94/75/18/396947518.db2.gz YZKDOTCNYZECMU-VIFPVBQESA-N 1 0 311.342 0.067 20 5 DCBDRO COCC[N@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000571416809 396950123 /nfs/dbraw/zinc/95/01/23/396950123.db2.gz IFIPJRQOYWCIJT-LLVKDONJSA-N 1 0 314.338 0.921 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)c1 ZINC000591735389 396993808 /nfs/dbraw/zinc/99/38/08/396993808.db2.gz YPKRDPSJFZOVHI-OCCSQVGLSA-N 1 0 309.370 0.226 20 5 DCBDRO CC[C@H](CN1CCCC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591742836 396995848 /nfs/dbraw/zinc/99/58/48/396995848.db2.gz JDIXYZMOKJCMBU-TZMCWYRMSA-N 1 0 311.386 0.616 20 5 DCBDRO CCN1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591765765 396999800 /nfs/dbraw/zinc/99/98/00/396999800.db2.gz GLZQLQONCAVYRW-OCCSQVGLSA-N 1 0 323.349 0.545 20 5 DCBDRO [NH3+]CCCCn1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000592042867 397076726 /nfs/dbraw/zinc/07/67/26/397076726.db2.gz NDYDVFRMRIPBLT-UHFFFAOYSA-N 1 0 318.337 0.855 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592205235 397127912 /nfs/dbraw/zinc/12/79/12/397127912.db2.gz VTOJCYWOBUSAPY-YPMHNXCESA-N 1 0 324.333 0.829 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCC[NH3+] ZINC000592298661 397145664 /nfs/dbraw/zinc/14/56/64/397145664.db2.gz NRWVRSHZRXQNBT-SNVBAGLBSA-N 1 0 312.374 0.634 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592306217 397147912 /nfs/dbraw/zinc/14/79/12/397147912.db2.gz CRGMXLUSYMNNGB-SCZZXKLOSA-N 1 0 311.342 0.459 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592308004 397149450 /nfs/dbraw/zinc/14/94/50/397149450.db2.gz LHAWWRTXXAJJCJ-NOZJJQNGSA-N 1 0 309.322 0.792 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000573344567 397159987 /nfs/dbraw/zinc/15/99/87/397159987.db2.gz IUULBZALJLPHCF-ITGUQSILSA-N 1 0 306.322 0.491 20 5 DCBDRO C[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000592370572 397163003 /nfs/dbraw/zinc/16/30/03/397163003.db2.gz SJFKSHDNUMPBMN-NXEZZACHSA-N 1 0 314.367 0.738 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000592376431 397164139 /nfs/dbraw/zinc/16/41/39/397164139.db2.gz LMXWZAHQGSCMBQ-IUCAKERBSA-N 1 0 300.340 0.361 20 5 DCBDRO [NH3+]CCCCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000572945529 397114093 /nfs/dbraw/zinc/11/40/93/397114093.db2.gz ZVAVAVVVICRAHW-UHFFFAOYSA-N 1 0 320.349 0.335 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000592489788 397190275 /nfs/dbraw/zinc/19/02/75/397190275.db2.gz VXBAJAYQBARVHL-AWEZNQCLSA-N 1 0 307.350 0.974 20 5 DCBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000598341882 397216334 /nfs/dbraw/zinc/21/63/34/397216334.db2.gz HTEPLILGQRJHQT-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO [NH3+]C1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598663846 397270072 /nfs/dbraw/zinc/27/00/72/397270072.db2.gz ZWQDPRZNYWFZHB-UHFFFAOYSA-N 1 0 321.337 0.666 20 5 DCBDRO [NH3+]C[C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598662503 397270345 /nfs/dbraw/zinc/27/03/45/397270345.db2.gz PRLBMRKEKFCOOI-SNVBAGLBSA-N 1 0 321.337 0.524 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664528 397270872 /nfs/dbraw/zinc/27/08/72/397270872.db2.gz LWALMYIXIIFVPZ-GFCCVEGCSA-N 1 0 323.353 0.816 20 5 DCBDRO C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598665446 397270890 /nfs/dbraw/zinc/27/08/90/397270890.db2.gz WCIAYYYXXBSUGK-SNVBAGLBSA-N 1 0 321.337 0.537 20 5 DCBDRO CC(=O)NCCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574719526 397294812 /nfs/dbraw/zinc/29/48/12/397294812.db2.gz BGMYBPHIDDGZEW-GFCCVEGCSA-N 1 0 311.338 0.450 20 5 DCBDRO CC(=O)NCCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000574719527 397294824 /nfs/dbraw/zinc/29/48/24/397294824.db2.gz BGMYBPHIDDGZEW-LBPRGKRZSA-N 1 0 311.338 0.450 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2Cc3ccccc3O2)c1 ZINC000390964155 397304370 /nfs/dbraw/zinc/30/43/70/397304370.db2.gz LXKRGCOHZQLPNU-KBPBESRZSA-N 1 0 318.333 0.746 20 5 DCBDRO CN(CCOCC[NH3+])S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000599110122 397340473 /nfs/dbraw/zinc/34/04/73/397340473.db2.gz HKJXCQWNWWFSIR-UHFFFAOYSA-N 1 0 317.367 0.332 20 5 DCBDRO Cc1ccc(C)c(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1[N+](=O)[O-] ZINC000366320090 397362873 /nfs/dbraw/zinc/36/28/73/397362873.db2.gz UXLVVPLSYLZBAB-URLYPYJESA-N 1 0 311.363 0.708 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(O)cc2)c1 ZINC000577365816 397326200 /nfs/dbraw/zinc/32/62/00/397326200.db2.gz IRDZDGNWHWISNN-AWEZNQCLSA-N 1 0 306.322 0.690 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000602890193 397514178 /nfs/dbraw/zinc/51/41/78/397514178.db2.gz XJHLJHLQMAMCGV-VXGBXAGGSA-N 1 0 307.354 0.700 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371237550 397562475 /nfs/dbraw/zinc/56/24/75/397562475.db2.gz CROIKIDXLZLFAN-HNNXBMFYSA-N 1 0 318.377 0.943 20 5 DCBDRO O=[N+]([O-])c1cccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)c1 ZINC000603161475 397577093 /nfs/dbraw/zinc/57/70/93/397577093.db2.gz KVWGWMGRARNDTH-UHFFFAOYSA-N 1 0 316.365 0.682 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000579142396 397529329 /nfs/dbraw/zinc/52/93/29/397529329.db2.gz CLKQWKHKEJOPDK-SCZZXKLOSA-N 1 0 324.312 0.491 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000599888900 397535784 /nfs/dbraw/zinc/53/57/84/397535784.db2.gz ZWZWNPLEQSIGNZ-UHFFFAOYSA-N 1 0 310.310 0.349 20 5 DCBDRO C[NH+](C)CCn1cc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000604511230 397641746 /nfs/dbraw/zinc/64/17/46/397641746.db2.gz IUSHANLYQAUNNH-UHFFFAOYSA-N 1 0 307.314 0.188 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000609618886 397786188 /nfs/dbraw/zinc/78/61/88/397786188.db2.gz RCUKTGWGZNZDHJ-UHFFFAOYSA-N 1 0 310.354 0.774 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000070447331 158047814 /nfs/dbraw/zinc/04/78/14/158047814.db2.gz JHWSAVVQDJPKRR-LBPRGKRZSA-N 1 0 301.368 0.998 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106789640 158134293 /nfs/dbraw/zinc/13/42/93/158134293.db2.gz AGMLDUDMSKKGHL-NSHDSACASA-N 1 0 307.354 0.924 20 5 DCBDRO COc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000261702379 158730053 /nfs/dbraw/zinc/73/00/53/158730053.db2.gz OLEITAWERCAFEP-WOFXILAISA-N 1 0 307.306 0.560 20 5 DCBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330597115 159199810 /nfs/dbraw/zinc/19/98/10/159199810.db2.gz SGERXETZAYAAHR-QWRGUYRKSA-N 1 0 308.338 0.308 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000036296898 286885274 /nfs/dbraw/zinc/88/52/74/286885274.db2.gz HZXAMHDFGBFIRX-SECBINFHSA-N 1 0 315.351 0.715 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418511200 287249468 /nfs/dbraw/zinc/24/94/68/287249468.db2.gz JDMFZYOKIYKLAM-LLVKDONJSA-N 1 0 307.354 0.774 20 5 DCBDRO [NH3+]C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000420247130 287285235 /nfs/dbraw/zinc/28/52/35/287285235.db2.gz ULXFCQXAGLDSIP-LLVKDONJSA-N 1 0 305.294 0.809 20 5 DCBDRO COc1ccc(NC(=O)CCN(C)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420319323 287290318 /nfs/dbraw/zinc/29/03/18/287290318.db2.gz RRTAZFAVTDYFKZ-UHFFFAOYSA-N 1 0 308.338 0.836 20 5 DCBDRO COc1ccc(NC(=O)CN(C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000420336062 287291308 /nfs/dbraw/zinc/29/13/08/287291308.db2.gz QDLDOBWCABVVDN-UHFFFAOYSA-N 1 0 308.338 0.963 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000331639539 415164727 /nfs/dbraw/zinc/16/47/27/415164727.db2.gz PIEPCKZVRVHHBF-WDEREUQCSA-N 1 0 307.354 0.819 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(CC[NH3+])CCO ZINC000342399962 415164209 /nfs/dbraw/zinc/16/42/09/415164209.db2.gz JPYDJPFGFGIKFX-UHFFFAOYSA-N 1 0 310.354 0.485 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199142 415174865 /nfs/dbraw/zinc/17/48/65/415174865.db2.gz ODXDIJWHMHBZGG-ZWNOBZJWSA-N 1 0 307.354 0.780 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268235255 415181636 /nfs/dbraw/zinc/18/16/36/415181636.db2.gz NWOWYESAALVYBY-CABZTGNLSA-N 1 0 307.354 0.699 20 5 DCBDRO COC(=O)CC[C@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000342748850 415278445 /nfs/dbraw/zinc/27/84/45/415278445.db2.gz IMTCQIUPRSODHW-JTQLQIEISA-N 1 0 324.337 0.403 20 5 DCBDRO COc1cc(OCC(=O)NC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000273052939 415302976 /nfs/dbraw/zinc/30/29/76/415302976.db2.gz RFYPPIFSFIWFBI-JTQLQIEISA-N 1 0 309.322 0.708 20 5 DCBDRO CN(CCC[NH+]1CCN(C)CC1)Cc1c([N+](=O)[O-])ncn1C ZINC000352785526 415319799 /nfs/dbraw/zinc/31/97/99/415319799.db2.gz ZXQWFDGVJCFVNH-UHFFFAOYSA-N 1 0 310.402 0.398 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000353021377 415407916 /nfs/dbraw/zinc/40/79/16/415407916.db2.gz JTDVFVVYBUUGCW-MWLCHTKSSA-N 1 0 320.296 0.713 20 5 DCBDRO COC(=O)CC1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000353035942 415413835 /nfs/dbraw/zinc/41/38/35/415413835.db2.gz XOHSZEJEKNOZCV-NSHDSACASA-N 1 0 312.326 0.228 20 5 DCBDRO C[NH+]1CCN(CCNc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000280270002 415541539 /nfs/dbraw/zinc/54/15/39/415541539.db2.gz CRNNUCYGJVFPIJ-UHFFFAOYSA-N 1 0 307.354 0.353 20 5 DCBDRO C[N@@H+]1CCN(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1(C)C ZINC000281668610 415566911 /nfs/dbraw/zinc/56/69/11/415566911.db2.gz PJHAYPFLUQGHKA-UHFFFAOYSA-N 1 0 309.374 0.405 20 5 DCBDRO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102488840 415598459 /nfs/dbraw/zinc/59/84/59/415598459.db2.gz BAWVKEYIELGHKH-NSHDSACASA-N 1 0 309.370 0.984 20 5 DCBDRO Cn1c(C(=O)N2CCN(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000345128391 416049763 /nfs/dbraw/zinc/04/97/63/416049763.db2.gz IVCSDTQINNXJOI-UHFFFAOYSA-N 1 0 309.370 0.253 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000299147547 416055056 /nfs/dbraw/zinc/05/50/56/416055056.db2.gz JXKAQWNDYFPYMR-GHMZBOCLSA-N 1 0 307.354 0.993 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000174853923 416087395 /nfs/dbraw/zinc/08/73/95/416087395.db2.gz LPTKKLZNNIHKJM-NSHDSACASA-N 1 0 314.367 0.443 20 5 DCBDRO CN(CC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1[N+](=O)[O-] ZINC000358051266 416179287 /nfs/dbraw/zinc/17/92/87/416179287.db2.gz BKEKQGXSUDUCBJ-HNNXBMFYSA-N 1 0 322.365 0.214 20 5 DCBDRO COc1ccc(NC(=O)CN2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358141203 416201428 /nfs/dbraw/zinc/20/14/28/416201428.db2.gz WIGSLMNMFLRINS-LLVKDONJSA-N 1 0 324.337 0.201 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000183958592 416250349 /nfs/dbraw/zinc/25/03/49/416250349.db2.gz GDZHCCOUWGPHTR-UHFFFAOYSA-N 1 0 314.317 0.360 20 5 DCBDRO C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CC[N@@H+]1CC(C)(C)O ZINC000189904871 416271289 /nfs/dbraw/zinc/27/12/89/416271289.db2.gz LDDYEPRHQOVEST-LBPRGKRZSA-N 1 0 311.386 0.568 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000192518370 416306896 /nfs/dbraw/zinc/30/68/96/416306896.db2.gz OIFADIYCNZKGTG-UHFFFAOYSA-N 1 0 322.365 0.701 20 5 DCBDRO O=C1NC(=O)[C@@]2(CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)N1 ZINC000192678605 416309389 /nfs/dbraw/zinc/30/93/89/416309389.db2.gz UFDUDFLNZMKATH-AWEZNQCLSA-N 1 0 322.296 0.908 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000193239312 416314777 /nfs/dbraw/zinc/31/47/77/416314777.db2.gz GNRFDZLCHUULCU-SSDOTTSWSA-N 1 0 319.314 0.383 20 5 DCBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352112446 416289351 /nfs/dbraw/zinc/28/93/51/416289351.db2.gz UFRVTVVYEPZTNG-HNNXBMFYSA-N 1 0 309.366 0.956 20 5 DCBDRO [NH3+][C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000262262621 416336525 /nfs/dbraw/zinc/33/65/25/416336525.db2.gz RJQQNRYHSZKPAO-NWDGAFQWSA-N 1 0 316.321 0.140 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415411302 416341582 /nfs/dbraw/zinc/34/15/82/416341582.db2.gz LIOZJFAKWSOBDV-VIFPVBQESA-N 1 0 308.338 0.813 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415435453 416342801 /nfs/dbraw/zinc/34/28/01/416342801.db2.gz IPHKEEQESPFLET-NSHDSACASA-N 1 0 312.301 0.772 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000415517518 416346473 /nfs/dbraw/zinc/34/64/73/416346473.db2.gz JYUNRZGUVUTTDA-UHFFFAOYSA-N 1 0 324.337 0.658 20 5 DCBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415680956 416350867 /nfs/dbraw/zinc/35/08/67/416350867.db2.gz QQXNAXSERBANPK-PELKAZGASA-N 1 0 324.312 0.929 20 5 DCBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415731986 416352395 /nfs/dbraw/zinc/35/23/95/416352395.db2.gz VVHPRHSPRNBVGG-WRWORJQWSA-N 1 0 310.285 0.621 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](CC2CC2)CC1 ZINC000194241210 416323045 /nfs/dbraw/zinc/32/30/45/416323045.db2.gz GVPZDRLUGPUDEK-UHFFFAOYSA-N 1 0 307.354 0.782 20 5 DCBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000416493254 416372354 /nfs/dbraw/zinc/37/23/54/416372354.db2.gz DHTFUCMXKIJUBN-GFCCVEGCSA-N 1 0 313.379 0.966 20 5 DCBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])cnc2N)CCOCC1 ZINC000359805854 416359613 /nfs/dbraw/zinc/35/96/13/416359613.db2.gz JPYQHLMZIOCQJN-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO CN(CC[NH3+])C(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423099792 416465294 /nfs/dbraw/zinc/46/52/94/416465294.db2.gz MLUJEDVFXHMGBS-UHFFFAOYSA-N 1 0 320.349 0.503 20 5 DCBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000458567659 416481840 /nfs/dbraw/zinc/48/18/40/416481840.db2.gz OJZLRTNEQXSRDW-LBPRGKRZSA-N 1 0 324.385 0.917 20 5 DCBDRO C[C@@H]1C[NH+](CCCNc2ccc(N)c([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000590570592 416527163 /nfs/dbraw/zinc/52/71/63/416527163.db2.gz XQFFIXQWFQOWNL-GHMZBOCLSA-N 1 0 309.370 1.483 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435246650 416515598 /nfs/dbraw/zinc/51/55/98/416515598.db2.gz RTBYCOJGWFBSQK-NSHDSACASA-N 1 0 306.322 0.109 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000423943778 416597216 /nfs/dbraw/zinc/59/72/16/416597216.db2.gz GRKHDUBIVCLNGS-KWBADKCTSA-N 1 0 320.349 0.519 20 5 DCBDRO C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1[NH3+] ZINC000423971403 416599367 /nfs/dbraw/zinc/59/93/67/416599367.db2.gz HAFHRYPNQNRKHI-GXSJLCMTSA-N 1 0 321.333 0.714 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423995873 416603626 /nfs/dbraw/zinc/60/36/26/416603626.db2.gz JXPOAYQGDUOTHN-CQSZACIVSA-N 1 0 315.333 0.964 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000423911798 416587772 /nfs/dbraw/zinc/58/77/72/416587772.db2.gz VQBMGYXEQXLNFO-SMDDNHRTSA-N 1 0 307.354 0.687 20 5 DCBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367583844 416647702 /nfs/dbraw/zinc/64/77/02/416647702.db2.gz GDRHZZNLBASSKP-QWHCGFSZSA-N 1 0 309.370 0.586 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000441612395 416676164 /nfs/dbraw/zinc/67/61/64/416676164.db2.gz OWBKLPYYSSKDTG-JTQLQIEISA-N 1 0 323.353 0.105 20 5 DCBDRO Nc1nccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000548713951 416691923 /nfs/dbraw/zinc/69/19/23/416691923.db2.gz BQJFFWQCJNFUIN-LLVKDONJSA-N 1 0 319.365 1.130 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000551896275 416697619 /nfs/dbraw/zinc/69/76/19/416697619.db2.gz IMMJVHPXJAUOLK-ZYHUDNBSSA-N 1 0 319.365 1.198 20 5 DCBDRO CC1(C)CN(CCn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1CCO ZINC000614920568 416724482 /nfs/dbraw/zinc/72/44/82/416724482.db2.gz KNTQRRIUIKEGOE-UHFFFAOYSA-N 1 0 324.381 0.145 20 5 DCBDRO CCC[C@]1(CO)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444771152 416867873 /nfs/dbraw/zinc/86/78/73/416867873.db2.gz IESQXTFIBVANRA-UONOGXRCSA-N 1 0 312.370 0.779 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000370057567 416876449 /nfs/dbraw/zinc/87/64/49/416876449.db2.gz XZXUGFZCVZTNTD-UHFFFAOYSA-N 1 0 323.397 0.873 20 5 DCBDRO CNc1nccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000561157742 416856515 /nfs/dbraw/zinc/85/65/15/416856515.db2.gz YESCXRVCABWKNU-NSHDSACASA-N 1 0 321.381 1.493 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+](C)C ZINC000428983380 416938910 /nfs/dbraw/zinc/93/89/10/416938910.db2.gz VHUGCFPHBKKLCT-SNVBAGLBSA-N 1 0 312.374 0.505 20 5 DCBDRO COc1cc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000447240710 416972831 /nfs/dbraw/zinc/97/28/31/416972831.db2.gz SKYMHNWTNKVQFO-PSASIEDQSA-N 1 0 315.351 0.571 20 5 DCBDRO CN(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526695 417005551 /nfs/dbraw/zinc/00/55/51/417005551.db2.gz DUYCFPIPOMWGMH-AGIUHOORSA-N 1 0 311.386 0.787 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000523660980 417088697 /nfs/dbraw/zinc/08/86/97/417088697.db2.gz NGWIXPNCHUSVIA-GFCCVEGCSA-N 1 0 323.397 0.689 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000394766372 417106755 /nfs/dbraw/zinc/10/67/55/417106755.db2.gz JFTAZLRYXSDOJM-CYBMUJFWSA-N 1 0 301.350 1.459 20 5 DCBDRO CCCc1n[nH]c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC000449665366 417159876 /nfs/dbraw/zinc/15/98/76/417159876.db2.gz QPQUFHZMBPBGON-QMMMGPOBSA-N 1 0 317.296 0.997 20 5 DCBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000568756553 417173393 /nfs/dbraw/zinc/17/33/93/417173393.db2.gz KEZCXESGPIPOKA-LBPRGKRZSA-N 1 0 306.322 0.079 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)n1 ZINC000450777461 417265832 /nfs/dbraw/zinc/26/58/32/417265832.db2.gz JOAFQHCZRNVRHI-JOYOIKCWSA-N 1 0 306.322 0.917 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000570395188 417348530 /nfs/dbraw/zinc/34/85/30/417348530.db2.gz HCKPOAVLGAFXMX-GFCCVEGCSA-N 1 0 306.366 0.927 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415300673 417361267 /nfs/dbraw/zinc/36/12/67/417361267.db2.gz AIDZXBGYWAVKMK-LLVKDONJSA-N 1 0 306.322 0.710 20 5 DCBDRO COC(=O)COc1ccc(CNCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000414802206 417305539 /nfs/dbraw/zinc/30/55/39/417305539.db2.gz KHUOAJKJLVFMHZ-UHFFFAOYSA-N 1 0 311.338 0.974 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000415308207 417362761 /nfs/dbraw/zinc/36/27/61/417362761.db2.gz YWFTXIIBQGTYMO-NSHDSACASA-N 1 0 306.322 0.662 20 5 DCBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000570389872 417347616 /nfs/dbraw/zinc/34/76/16/417347616.db2.gz LGYMJFUWZLMTIN-SECBINFHSA-N 1 0 307.306 0.848 20 5 DCBDRO CNc1nccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000574582357 417486077 /nfs/dbraw/zinc/48/60/77/417486077.db2.gz GVKNGTHMBQFYPC-UWVGGRQHSA-N 1 0 307.354 1.244 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452787089 417502964 /nfs/dbraw/zinc/50/29/64/417502964.db2.gz YFQTYONIIATPSI-NSHDSACASA-N 1 0 322.365 0.754 20 5 DCBDRO COC[C@@H](O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575060055 417507484 /nfs/dbraw/zinc/50/74/84/417507484.db2.gz VFIKGMBZMSFWDL-NSHDSACASA-N 1 0 311.338 0.910 20 5 DCBDRO CC(C)[N@H+](C)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000530941175 417598323 /nfs/dbraw/zinc/59/83/23/417598323.db2.gz NMIUAHRBUXVYRR-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000456169894 417628926 /nfs/dbraw/zinc/62/89/26/417628926.db2.gz PYKCWGMJDNUEEY-PWSUYJOCSA-N 1 0 307.354 0.689 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000576636679 417626217 /nfs/dbraw/zinc/62/62/17/417626217.db2.gz MRCQYTCKYCRWRX-SFYZADRCSA-N 1 0 305.360 0.215 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000577864907 417680642 /nfs/dbraw/zinc/68/06/42/417680642.db2.gz YFGMULIGMGWEJJ-OAHLLOKOSA-N 1 0 319.365 1.199 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444144102 287416640 /nfs/dbraw/zinc/41/66/40/287416640.db2.gz SRBCBHZVHZRORL-SECBINFHSA-N 1 0 324.362 0.303 20 5 DCBDRO C[C@H]1CCC[N@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000299550718 229202812 /nfs/dbraw/zinc/20/28/12/229202812.db2.gz VYMVZIDGVUFBPF-LBPRGKRZSA-N 1 0 322.365 0.605 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363223799 262106497 /nfs/dbraw/zinc/10/64/97/262106497.db2.gz JRPRLNYFROGAJJ-NEPJUHHUSA-N 1 0 323.353 0.079 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000417170040 262247488 /nfs/dbraw/zinc/24/74/88/262247488.db2.gz CGTFJNGACHHOOY-GFCCVEGCSA-N 1 0 324.337 0.473 20 5 DCBDRO O=C(NCC[C@@H]1CCC[NH2+]C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000417910372 262264880 /nfs/dbraw/zinc/26/48/80/262264880.db2.gz LDAKKQXJZMOHBE-NSHDSACASA-N 1 0 310.358 0.480 20 5 DCBDRO COCC[NH2+]CCNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417947039 262265962 /nfs/dbraw/zinc/26/59/62/262265962.db2.gz RTCIODLRKLKLCB-UHFFFAOYSA-N 1 0 310.354 0.673 20 5 DCBDRO CC[NH2+]CCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418319479 262274798 /nfs/dbraw/zinc/27/47/98/262274798.db2.gz RFTCWBXCDOXWEA-UHFFFAOYSA-N 1 0 322.369 0.431 20 5 DCBDRO CC(C)([NH3+])CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418409946 262276269 /nfs/dbraw/zinc/27/62/69/262276269.db2.gz BADDFLTUVGIZRM-UHFFFAOYSA-N 1 0 322.369 0.559 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418774590 262288489 /nfs/dbraw/zinc/28/84/89/262288489.db2.gz DDCFASBLWZNQNT-QWRGUYRKSA-N 1 0 320.349 0.592 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418780494 262289432 /nfs/dbraw/zinc/28/94/32/262289432.db2.gz KQJADPJTIWFSNJ-ZJUUUORDSA-N 1 0 308.338 0.578 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418792234 262289967 /nfs/dbraw/zinc/28/99/67/262289967.db2.gz ZQBNVOLVMZGOJS-JQWIXIFHSA-N 1 0 320.349 0.722 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418924035 262298665 /nfs/dbraw/zinc/29/86/65/262298665.db2.gz OHMJXYMHVVLQRQ-LBPRGKRZSA-N 1 0 320.349 0.122 20 5 DCBDRO C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419132257 262312163 /nfs/dbraw/zinc/31/21/63/262312163.db2.gz DTPUWWZFOVDPIF-JOYOIKCWSA-N 1 0 320.349 0.626 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000419874216 262350809 /nfs/dbraw/zinc/35/08/09/262350809.db2.gz NMYCICJCTQVQLA-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000420267709 262368636 /nfs/dbraw/zinc/36/86/36/262368636.db2.gz HASBHBITWCXNKW-SNVBAGLBSA-N 1 0 323.353 0.482 20 5 DCBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000420349607 262369666 /nfs/dbraw/zinc/36/96/66/262369666.db2.gz DHZXXRFJLLALJS-VIFPVBQESA-N 1 0 316.745 0.438 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1)[C@H](C)[NH3+] ZINC000423684711 262454209 /nfs/dbraw/zinc/45/42/09/262454209.db2.gz RUXOOKGKJCWQBF-WDEREUQCSA-N 1 0 322.365 0.897 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCC3(C2)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000358522175 271054385 /nfs/dbraw/zinc/05/43/85/271054385.db2.gz ZLAOGKWRGLIMPZ-UHFFFAOYSA-N 1 0 307.354 0.852 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000418875474 271260645 /nfs/dbraw/zinc/26/06/45/271260645.db2.gz WUWVALYWKDMQIG-ZWNOBZJWSA-N 1 0 320.349 0.059 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000419935279 271345825 /nfs/dbraw/zinc/34/58/25/271345825.db2.gz CHVWSLCXDSWEFU-NSHDSACASA-N 1 0 322.365 0.307 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000422712791 271379633 /nfs/dbraw/zinc/37/96/33/271379633.db2.gz OVDIONQWZDNNPY-LLVKDONJSA-N 1 0 306.322 0.193 20 5 DCBDRO C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000449584908 271854565 /nfs/dbraw/zinc/85/45/65/271854565.db2.gz DNFBOKKGBBTENS-VHSXEESVSA-N 1 0 308.338 0.567 20 5 DCBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000122778123 277296230 /nfs/dbraw/zinc/29/62/30/277296230.db2.gz CXVGGMAFEITXKI-MRVPVSSYSA-N 1 0 303.315 0.716 20 5 DCBDRO Cc1nn(C)c(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1[N+](=O)[O-] ZINC000302519501 279198490 /nfs/dbraw/zinc/19/84/90/279198490.db2.gz WVPDFJRBIPKEDQ-SNVBAGLBSA-N 1 0 311.386 0.918 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000420416548 280363602 /nfs/dbraw/zinc/36/36/02/280363602.db2.gz JKXQCJSHCLPSNQ-GFCCVEGCSA-N 1 0 313.379 0.809 20 5 DCBDRO Cc1c(CC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000552155991 288266926 /nfs/dbraw/zinc/26/69/26/288266926.db2.gz NHMRTSCPSLAYOR-KBPBESRZSA-N 1 0 307.350 0.579 20 5 DCBDRO C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000552077742 288263552 /nfs/dbraw/zinc/26/35/52/288263552.db2.gz WGMQDOUJNFBSCL-QMMMGPOBSA-N 1 0 314.367 0.452 20 5 DCBDRO C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000552077741 288263697 /nfs/dbraw/zinc/26/36/97/288263697.db2.gz WGMQDOUJNFBSCL-MRVPVSSYSA-N 1 0 314.367 0.452 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000570927492 332842600 /nfs/dbraw/zinc/84/26/00/332842600.db2.gz CURVCCQQORSECC-JTQLQIEISA-N 1 0 314.367 0.800 20 5 DCBDRO CC(C)(CC(N)=O)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000186261231 332919486 /nfs/dbraw/zinc/91/94/86/332919486.db2.gz XSQJPIVNPGVHPT-SNVBAGLBSA-N 1 0 311.338 0.578 20 5 DCBDRO C[C@@H]1CC2(CN1C(=O)Cn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000582839988 337207596 /nfs/dbraw/zinc/20/75/96/337207596.db2.gz RHBZFZBQYQZTQN-LLVKDONJSA-N 1 0 307.354 0.782 20 5 DCBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000582895430 337212260 /nfs/dbraw/zinc/21/22/60/337212260.db2.gz UXVNVFFLRMZKFC-MFKMUULPSA-N 1 0 320.349 0.325 20 5 DCBDRO CCn1cc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000583020350 337225724 /nfs/dbraw/zinc/22/57/24/337225724.db2.gz WBMPGPJKXOIJIL-GWCFXTLKSA-N 1 0 308.342 0.719 20 5 DCBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000583083037 337237424 /nfs/dbraw/zinc/23/74/24/337237424.db2.gz IKWSXQGAGBPYDL-JQWIXIFHSA-N 1 0 307.354 0.953 20 5 DCBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CNC(=O)C[NH3+] ZINC000124656045 519655462 /nfs/dbraw/zinc/65/54/62/519655462.db2.gz RFKHTOHEBPOPRR-UHFFFAOYSA-N 1 0 308.338 0.407 20 5 DCBDRO CC[NH+](CC)CCN(CCOC)c1ncc([N+](=O)[O-])c(N)n1 ZINC000267569552 520643576 /nfs/dbraw/zinc/64/35/76/520643576.db2.gz WSKAMWGWUJBCSA-UHFFFAOYSA-N 1 0 312.374 0.762 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC000262628990 521889178 /nfs/dbraw/zinc/88/91/78/521889178.db2.gz UWTUYCQRVNUOJB-NSHDSACASA-N 1 0 309.278 0.308 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000331743684 534758340 /nfs/dbraw/zinc/75/83/40/534758340.db2.gz GWRCYDGQKBTJMA-LLVKDONJSA-N 1 0 308.342 0.273 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237621974 525232671 /nfs/dbraw/zinc/23/26/71/525232671.db2.gz PMKPFBAODOBESB-TVQRCGJNSA-N 1 0 320.349 0.567 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157822181 525345639 /nfs/dbraw/zinc/34/56/39/525345639.db2.gz MBQKRSKRTQFWMW-ZYHUDNBSSA-N 1 0 320.349 0.663 20 5 DCBDRO [NH3+]C1(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000237890763 527125506 /nfs/dbraw/zinc/12/55/06/527125506.db2.gz XFBFZSOAOGICFK-UHFFFAOYSA-N 1 0 318.333 0.371 20 5 DCBDRO CC(C)[N@H+](C)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000302089308 528824226 /nfs/dbraw/zinc/82/42/26/528824226.db2.gz LMLYRFUQEUHUQA-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736568093 598673405 /nfs/dbraw/zinc/67/34/05/598673405.db2.gz AHFYATPGKNXYKI-UHFFFAOYSA-N 1 0 318.341 0.702 20 5 DCBDRO C[NH+](C)[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821583336 606707047 /nfs/dbraw/zinc/70/70/47/606707047.db2.gz RLJZMLSURDZSNO-QMMMGPOBSA-N 1 0 304.314 0.310 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821623998 606709908 /nfs/dbraw/zinc/70/99/08/606709908.db2.gz XDYJFXNMGWIZIT-VIFPVBQESA-N 1 0 318.341 0.924 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cnco2)C1 ZINC001022513566 658017437 /nfs/dbraw/zinc/01/74/37/658017437.db2.gz OLRQJGOCMJSCSQ-DTORHVGOSA-N 1 0 320.309 0.367 20 5 DCBDRO C[C@]1(C2CC2)COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934480594 658440138 /nfs/dbraw/zinc/44/01/38/658440138.db2.gz DHKWWSYRQNKADM-ZIAGYGMSSA-N 1 0 310.354 0.653 20 5 DCBDRO Cc1c(C(=O)NCC2C[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000261925998 661844031 /nfs/dbraw/zinc/84/40/31/661844031.db2.gz AZLAMAIOJXUCSS-UHFFFAOYSA-N 1 0 316.321 0.433 20 5 DCBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000178906144 661845750 /nfs/dbraw/zinc/84/57/50/661845750.db2.gz DLRFZGYXEQCHOE-MRVPVSSYSA-N 1 0 303.315 0.703 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(c2cc(F)c([N+](=O)[O-])cc2CO)C1 ZINC000895009919 662042911 /nfs/dbraw/zinc/04/29/11/662042911.db2.gz HPFCAZAKJGKMCV-AWEZNQCLSA-N 1 0 313.329 0.729 20 5 DCBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000895773222 662214938 /nfs/dbraw/zinc/21/49/38/662214938.db2.gz PNEIZJPCMULMGS-CYBMUJFWSA-N 1 0 305.334 0.980 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895844107 662221611 /nfs/dbraw/zinc/22/16/11/662221611.db2.gz OEWNBWYDAHOVDD-HNNXBMFYSA-N 1 0 319.361 0.974 20 5 DCBDRO C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896556069 662290028 /nfs/dbraw/zinc/29/00/28/662290028.db2.gz NZGFRICXEJZCJZ-HZMBPMFUSA-N 1 0 322.365 0.665 20 5 DCBDRO NC(=O)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000984726420 662291064 /nfs/dbraw/zinc/29/10/64/662291064.db2.gz URTFOIZGZVXJRA-XYPYZODXSA-N 1 0 306.322 0.065 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)n1 ZINC000898834395 663109691 /nfs/dbraw/zinc/10/96/91/663109691.db2.gz IHOTZWGWVHURHI-WDEREUQCSA-N 1 0 307.354 0.931 20 5 DCBDRO O=C(COc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1)NC1CC1 ZINC000905058108 663529009 /nfs/dbraw/zinc/52/90/09/663529009.db2.gz DDIWXEDPPPHKAV-UHFFFAOYSA-N 1 0 307.350 0.753 20 5 DCBDRO Cn1cc([C@H]2[C@H](C[NH2+]CC[N+](=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000905242246 663544123 /nfs/dbraw/zinc/54/41/23/663544123.db2.gz CBHYKSILJGRHFM-SMDDNHRTSA-N 1 0 323.397 0.975 20 5 DCBDRO CC[N@@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000910280162 663863967 /nfs/dbraw/zinc/86/39/67/663863967.db2.gz JCCVJSNJAOFOQW-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO C[NH+]1C[C@]2(C)CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000913292062 664299020 /nfs/dbraw/zinc/29/90/20/664299020.db2.gz YNGQJHWTOLCCHJ-ZIAGYGMSSA-N 1 0 307.354 0.592 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861544740 666942800 /nfs/dbraw/zinc/94/28/00/666942800.db2.gz PDJBGGBNMJRMHM-SSDOTTSWSA-N 1 0 312.301 0.786 20 5 DCBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861544803 666942809 /nfs/dbraw/zinc/94/28/09/666942809.db2.gz PLNVCETXPYLFLS-MRVPVSSYSA-N 1 0 312.713 0.665 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861545760 666943635 /nfs/dbraw/zinc/94/36/35/666943635.db2.gz AHEXKFNEYUFIAI-MRVPVSSYSA-N 1 0 310.285 0.459 20 5 DCBDRO CC(C)(CCC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[N+](=O)[O-] ZINC000862649045 667063092 /nfs/dbraw/zinc/06/30/92/667063092.db2.gz OXIXLRPICHQLHQ-NSHDSACASA-N 1 0 314.386 0.278 20 5 DCBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000886590658 667780404 /nfs/dbraw/zinc/78/04/04/667780404.db2.gz AXNBIHKLFYRNOJ-GFCCVEGCSA-N 1 0 309.370 0.980 20 5 DCBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000747887469 667914727 /nfs/dbraw/zinc/91/47/27/667914727.db2.gz AGGYEWOABFKINM-LLVKDONJSA-N 1 0 310.354 0.459 20 5 DCBDRO COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC000839660623 668129973 /nfs/dbraw/zinc/12/99/73/668129973.db2.gz NNSPTHLCKZCWLN-VXGBXAGGSA-N 1 0 306.322 0.404 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000839704025 668135529 /nfs/dbraw/zinc/13/55/29/668135529.db2.gz RXNMVGKJINTETD-MGPQQGTHSA-N 1 0 311.382 0.755 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874846271 668225857 /nfs/dbraw/zinc/22/58/57/668225857.db2.gz XQYWVTIWQYWREM-GHMZBOCLSA-N 1 0 307.354 0.945 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877283986 668590625 /nfs/dbraw/zinc/59/06/25/668590625.db2.gz ZFLVRGBMJOFPCK-VXGBXAGGSA-N 1 0 306.322 0.109 20 5 DCBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H](O)C3(O)CCC3)CC2)c1 ZINC000929270440 668670551 /nfs/dbraw/zinc/67/05/51/668670551.db2.gz OKSIWCGRGSZQIG-HNNXBMFYSA-N 1 0 321.377 0.993 20 5 DCBDRO COC(=O)C[C@@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCOC1 ZINC000770702970 668708389 /nfs/dbraw/zinc/70/83/89/668708389.db2.gz BMWJCKGMSSEXKD-ZDUSSCGKSA-N 1 0 312.326 0.493 20 5 DCBDRO C[C@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277178 668874625 /nfs/dbraw/zinc/87/46/25/668874625.db2.gz MRXUBFMUFBHLAK-SWLSCSKDSA-N 1 0 309.366 0.627 20 5 DCBDRO C[C@@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000778356409 668898494 /nfs/dbraw/zinc/89/84/94/668898494.db2.gz NLYUMSWQIBKVRF-IUODEOHRSA-N 1 0 309.366 0.627 20 5 DCBDRO C[C@@H](CCO)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000779413278 668910756 /nfs/dbraw/zinc/91/07/56/668910756.db2.gz RHJKTFQYEGUSKZ-JTQLQIEISA-N 1 0 317.367 0.234 20 5 DCBDRO O=C1NCCN1CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000933590924 669507229 /nfs/dbraw/zinc/50/72/29/669507229.db2.gz ZPUVKXGURQHQDT-UHFFFAOYSA-N 1 0 322.369 0.529 20 5 DCBDRO Cn1cc(CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000883441771 669688416 /nfs/dbraw/zinc/68/84/16/669688416.db2.gz XCUQKWVYQYIAQA-VXNVDRBHSA-N 1 0 307.276 0.897 20 5 DCBDRO Nc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157406 670393550 /nfs/dbraw/zinc/39/35/50/670393550.db2.gz WKTJCWHRKVVIGI-NWDGAFQWSA-N 1 0 320.349 0.458 20 5 DCBDRO CNc1nccc(C(=O)NOC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000848378807 670677072 /nfs/dbraw/zinc/67/70/72/670677072.db2.gz WIMIADHHYBLTOA-UHFFFAOYSA-N 1 0 309.326 0.787 20 5 DCBDRO O=C1C[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC000851715434 671019563 /nfs/dbraw/zinc/01/95/63/671019563.db2.gz URYGBHWMMROYCW-LBPRGKRZSA-N 1 0 304.350 0.853 20 5 DCBDRO CC(C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818544398 671029632 /nfs/dbraw/zinc/02/96/32/671029632.db2.gz SJHOLLBEEJQPRM-UHFFFAOYSA-N 1 0 322.365 0.899 20 5 DCBDRO CCNS(=O)(=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819041644 671088413 /nfs/dbraw/zinc/08/84/13/671088413.db2.gz BESZYIFARFNTTM-LBPRGKRZSA-N 1 0 317.367 0.157 20 5 DCBDRO O=C1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819132300 671097324 /nfs/dbraw/zinc/09/73/24/671097324.db2.gz VUYFAMXLEQAAFV-RISCZKNCSA-N 1 0 305.334 0.981 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000819372395 671115157 /nfs/dbraw/zinc/11/51/57/671115157.db2.gz BAFXWOCESWTUNF-YPMHNXCESA-N 1 0 318.337 0.609 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3nnnn3CC2)c1 ZINC000819375975 671115800 /nfs/dbraw/zinc/11/58/00/671115800.db2.gz XNEFCCVNEGJKSA-DGCLKSJQSA-N 1 0 318.337 0.609 20 5 DCBDRO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859556933 671125951 /nfs/dbraw/zinc/12/59/51/671125951.db2.gz FODLTOWZEXPOGU-ZFWWWQNUSA-N 1 0 324.333 0.892 20 5 DCBDRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000859558940 671126249 /nfs/dbraw/zinc/12/62/49/671126249.db2.gz OBUZUJCZFJMLCQ-UKRRQHHQSA-N 1 0 324.333 0.892 20 5 DCBDRO COC(=O)c1cc(NC(=O)C2=NO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000852812790 671164615 /nfs/dbraw/zinc/16/46/15/671164615.db2.gz GFQMQPUXXWMADU-SNVBAGLBSA-N 1 0 322.277 0.424 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823301623 671384350 /nfs/dbraw/zinc/38/43/50/671384350.db2.gz MPSPGNJAKYPBMN-CYBMUJFWSA-N 1 0 314.430 0.964 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823961773 671414500 /nfs/dbraw/zinc/41/45/00/671414500.db2.gz LBOWMLMBHTUOSN-UHFFFAOYSA-N 1 0 311.342 0.877 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000824894681 671443275 /nfs/dbraw/zinc/44/32/75/671443275.db2.gz KUMROOJCXPXPON-CQSZACIVSA-N 1 0 307.354 0.700 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000829911323 671595456 /nfs/dbraw/zinc/59/54/56/671595456.db2.gz VILKAKZONROWLT-RYUDHWBXSA-N 1 0 301.387 0.735 20 5 DCBDRO CN1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000834299053 671752719 /nfs/dbraw/zinc/75/27/19/671752719.db2.gz ITSZHDZSVXAHJL-SNVBAGLBSA-N 1 0 312.757 0.963 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841165763 671916470 /nfs/dbraw/zinc/91/64/70/671916470.db2.gz ZBDJPBCAIRKBCE-VIFPVBQESA-N 1 0 324.312 0.849 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841940014 671967895 /nfs/dbraw/zinc/96/78/95/671967895.db2.gz XCKBFPZWGJRSGY-LBPRGKRZSA-N 1 0 319.365 0.788 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843995356 672132630 /nfs/dbraw/zinc/13/26/30/672132630.db2.gz VPDOUFAKLSRVFQ-OMVNSRBRSA-N 1 0 317.345 0.885 20 5 DCBDRO Cc1ncsc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139236 693710020 /nfs/dbraw/zinc/71/00/20/693710020.db2.gz VLOCNTITNWMNSW-GWOFURMSSA-N 1 0 310.379 0.854 20 5 DCBDRO C[C@@H](C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1F ZINC001575069408 1163879073 /nfs/dbraw/zinc/87/90/73/1163879073.db2.gz LQSPISLLACCNOZ-MWLCHTKSSA-N 1 0 311.313 0.942 20 5 DCBDRO CC(C)Oc1cc(C(=O)NC[C@@]2(O)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001575799267 1164155635 /nfs/dbraw/zinc/15/56/35/1164155635.db2.gz RLQHVYZOZAWHCX-OAHLLOKOSA-N 1 0 323.349 0.836 20 5 DCBDRO C[C@]([NH3+])(C(=O)NCc1ccncn1)c1cccc([N+](=O)[O-])c1 ZINC001576085922 1164236656 /nfs/dbraw/zinc/23/66/56/1164236656.db2.gz NBYGNYHJOVNRTP-CQSZACIVSA-N 1 0 301.306 0.875 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001576151732 1164253817 /nfs/dbraw/zinc/25/38/17/1164253817.db2.gz BTWJQNBVAAQNGG-SNVBAGLBSA-N 1 0 308.338 0.520 20 5 DCBDRO CN(C(=O)CNc1ccccc1[N+](=O)[O-])C1(C[NH3+])CCOCC1 ZINC001578378123 1164991281 /nfs/dbraw/zinc/99/12/81/1164991281.db2.gz ICQDBDATSZKZDP-UHFFFAOYSA-N 1 0 322.365 0.973 20 5 DCBDRO C[NH2+]CCOCCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001578709672 1165089443 /nfs/dbraw/zinc/08/94/43/1165089443.db2.gz MWYBHHXQCFOKCP-UHFFFAOYSA-N 1 0 311.338 0.498 20 5 DCBDRO COC(=O)[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC12C[NH2+]C2 ZINC001578795471 1165114524 /nfs/dbraw/zinc/11/45/24/1165114524.db2.gz BLATXLONKDVIOB-NSHDSACASA-N 1 0 306.322 0.184 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001579642435 1165369312 /nfs/dbraw/zinc/36/93/12/1165369312.db2.gz FSJHBSDXLYFSHX-CQSZACIVSA-N 1 0 304.306 0.512 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@H]2C[NH2+]CCO2)c1F ZINC001579642626 1165370256 /nfs/dbraw/zinc/37/02/56/1165370256.db2.gz NANHXNWYPFAXAN-QMMMGPOBSA-N 1 0 315.276 0.900 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001579877671 1165420541 /nfs/dbraw/zinc/42/05/41/1165420541.db2.gz XQKORGKXZJYMQP-FZMZJTMJSA-N 1 0 307.354 0.830 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCOc3ccc(C[NH3+])cc32)n1 ZINC001579970511 1165455432 /nfs/dbraw/zinc/45/54/32/1165455432.db2.gz YECKZGFXXKDMKW-UHFFFAOYSA-N 1 0 317.305 0.826 20 5 DCBDRO O=C(CN1CCO[C@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001580549500 1165635981 /nfs/dbraw/zinc/63/59/81/1165635981.db2.gz YTDDGFSICXBCOB-HNNXBMFYSA-N 1 0 320.349 0.598 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001580562099 1165640426 /nfs/dbraw/zinc/64/04/26/1165640426.db2.gz IOKNEIVDCJONCB-HNNXBMFYSA-N 1 0 321.333 0.565 20 5 DCBDRO O=C1C[C@H](Nc2nc3ccccn3c2[N+](=O)[O-])CN1C1C[NH2+]C1 ZINC001580838427 1165731576 /nfs/dbraw/zinc/73/15/76/1165731576.db2.gz QUJGBZLEPFAEIB-VIFPVBQESA-N 1 0 316.321 0.227 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001584938902 1166386983 /nfs/dbraw/zinc/38/69/83/1166386983.db2.gz PXLSSSQQBRVXHR-SNVBAGLBSA-N 1 0 320.305 0.323 20 5 DCBDRO C[C@H](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])[NH+](C)C ZINC001589833133 1166694992 /nfs/dbraw/zinc/69/49/92/1166694992.db2.gz NZLPCQAKHVMHMP-MRVPVSSYSA-N 1 0 306.330 0.922 20 5 DCBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590213805 1166814868 /nfs/dbraw/zinc/81/48/68/1166814868.db2.gz KMDHRXVATAPRTL-GZMMTYOYSA-N 1 0 304.310 0.730 20 5 DCBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590213807 1166815991 /nfs/dbraw/zinc/81/59/91/1166815991.db2.gz KMDHRXVATAPRTL-KWQFWETISA-N 1 0 304.310 0.730 20 5 DCBDRO CC[N@H+](C)[C@@H]1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590678440 1166967295 /nfs/dbraw/zinc/96/72/95/1166967295.db2.gz SUXHDVYPBNWOMX-SNVBAGLBSA-N 1 0 318.341 0.700 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001591012642 1167078222 /nfs/dbraw/zinc/07/82/22/1167078222.db2.gz SPFOFWABJKNWCV-ZDUSSCGKSA-N 1 0 321.341 0.499 20 5 DCBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2nn[nH]n2)c1 ZINC001593475958 1167864954 /nfs/dbraw/zinc/86/49/54/1167864954.db2.gz HIIFVDJXNUQKQL-RKDXNWHRSA-N 1 0 301.310 0.431 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001596117853 1167986877 /nfs/dbraw/zinc/98/68/77/1167986877.db2.gz VMBCFJYNTZJAIT-UHFFFAOYSA-N 1 0 321.337 0.165 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001626175166 1169595509 /nfs/dbraw/zinc/59/55/09/1169595509.db2.gz RPDOYKXKXLDEGB-VXGBXAGGSA-N 1 0 320.349 0.770 20 5 DCBDRO C[C@@H]1[C@@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001612939395 1171366678 /nfs/dbraw/zinc/36/66/78/1171366678.db2.gz CHMAUODMQVSLQV-SCZZXKLOSA-N 1 0 314.367 0.747 20 5 DCBDRO C[C@](CO)([NH2+]CC[C@@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC001620495452 1171403457 /nfs/dbraw/zinc/40/34/57/1171403457.db2.gz OYKRKJJJXMMKCC-XHDPSFHLSA-N 1 0 307.350 0.918 20 5 DCBDRO CN1C[C@H](C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)OC1=O ZINC001620495279 1171404260 /nfs/dbraw/zinc/40/42/60/1171404260.db2.gz KQIWXMJQNGRTOI-GXTWGEPZSA-N 1 0 309.322 0.843 20 5 DCBDRO C[NH+](C)CCNC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001624200627 1171450266 /nfs/dbraw/zinc/45/02/66/1171450266.db2.gz XENBCGGHBCIMQV-UHFFFAOYSA-N 1 0 318.337 0.526 20 5 DCBDRO C[NH+]1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001632173319 1171613500 /nfs/dbraw/zinc/61/35/00/1171613500.db2.gz UXUDPCQMUCJPQT-UHFFFAOYSA-N 1 0 322.365 0.754 20 5 DCBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641856928 1171931030 /nfs/dbraw/zinc/93/10/30/1171931030.db2.gz HQEAJMAIKKSMBG-JSGCOSHPSA-N 1 0 323.349 0.201 20 5 DCBDRO Cn1cc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c([N+](=O)[O-])n1 ZINC001642673508 1171953568 /nfs/dbraw/zinc/95/35/68/1171953568.db2.gz XZHNWIRGRQBSRO-LLVKDONJSA-N 1 0 311.342 0.089 20 5 DCBDRO CC(C)(C)OC(=O)N1CCC[C@](CO)([NH2+]CC[N+](=O)[O-])C1 ZINC001644518715 1172009265 /nfs/dbraw/zinc/00/92/65/1172009265.db2.gz OFIQTGZLTBIYDJ-ZDUSSCGKSA-N 1 0 303.359 0.615 20 5 DCBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654291696 1173803865 /nfs/dbraw/zinc/80/38/65/1173803865.db2.gz ZPRQWNUGSMGGDE-HIFRSBDPSA-N 1 0 323.349 0.741 20 5 DCBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659064043 1173928716 /nfs/dbraw/zinc/92/87/16/1173928716.db2.gz IQLCEGHDSKRNNZ-OLZOCXBDSA-N 1 0 324.381 0.143 20 5 DCBDRO C[N@@H+](Cc1cccc(=O)[nH]1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001660319399 1173976208 /nfs/dbraw/zinc/97/62/08/1173976208.db2.gz GVBCCJAALIRFBZ-LBPRGKRZSA-N 1 0 307.310 0.385 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)CCCF)C1 ZINC001661459513 1174127688 /nfs/dbraw/zinc/12/76/88/1174127688.db2.gz FLSRYKNFYACOCV-MGCOHNPYSA-N 1 0 313.333 0.815 20 5 DCBDRO C[NH2+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CCC1 ZINC001664885837 1174469891 /nfs/dbraw/zinc/46/98/91/1174469891.db2.gz VACBWHSEWNYWKY-UHFFFAOYSA-N 1 0 321.337 0.957 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1ccsc1 ZINC001672621739 1175134112 /nfs/dbraw/zinc/13/41/12/1175134112.db2.gz XFCPAMHFOCJCGL-VXGBXAGGSA-N 1 0 313.379 0.324 20 5 DCBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+](C)C ZINC001675041195 1175319319 /nfs/dbraw/zinc/31/93/19/1175319319.db2.gz NPFUEUNDCMNJDE-MRVPVSSYSA-N 1 0 309.326 0.765 20 5 DCBDRO COCCC[NH+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)CC1 ZINC001700106300 1178478174 /nfs/dbraw/zinc/47/81/74/1178478174.db2.gz UWHKYUWLSBKTTD-CHWSQXEVSA-N 1 0 311.382 0.613 20 5 DCBDRO CCOCC(=O)N[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001713153231 1180698926 /nfs/dbraw/zinc/69/89/26/1180698926.db2.gz XBOGQCDBBFDLLW-MGCOHNPYSA-N 1 0 311.342 0.102 20 5 DCBDRO Cc1cccnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716292313 1182309676 /nfs/dbraw/zinc/30/96/76/1182309676.db2.gz HKUXQJDJGWWVRY-SDEBIZQBSA-N 1 0 304.350 0.817 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC001732918841 1186059574 /nfs/dbraw/zinc/05/95/74/1186059574.db2.gz MULJDEWMIPTBEU-ONEGZZNKSA-N 1 0 316.321 0.789 20 5 DCBDRO NC(=O)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001753668376 1188637521 /nfs/dbraw/zinc/63/75/21/1188637521.db2.gz XRRKPOOWKUIBCX-UHFFFAOYSA-N 1 0 320.349 0.599 20 5 DCBDRO O=C(C1CC1)N(CCO)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001754875136 1188957455 /nfs/dbraw/zinc/95/74/55/1188957455.db2.gz CQCZDMSLPUVXBF-UHFFFAOYSA-N 1 0 307.350 0.915 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000598629627 719399019 /nfs/dbraw/zinc/39/90/19/719399019.db2.gz OGQSEZOTLRCXEX-MNOVXSKESA-N 1 0 322.321 0.296 20 5 DCBDRO CCOc1nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164669218 719417063 /nfs/dbraw/zinc/41/70/63/719417063.db2.gz LITIGRWHLGCZLQ-NWDGAFQWSA-N 1 0 308.338 0.908 20 5 DCBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923174 721876993 /nfs/dbraw/zinc/87/69/93/721876993.db2.gz JAMXRZABGYKYCQ-ZIAGYGMSSA-N 1 0 320.397 0.787 20 5 DCBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923173 721877071 /nfs/dbraw/zinc/87/70/71/721877071.db2.gz JAMXRZABGYKYCQ-UONOGXRCSA-N 1 0 320.397 0.787 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc2cc(C[NH3+])cnc21 ZINC001167305127 747082944 /nfs/dbraw/zinc/08/29/44/747082944.db2.gz OGYQDWIILMZGIH-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO Cn1nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1C(F)(F)F ZINC001226240129 748830383 /nfs/dbraw/zinc/83/03/83/748830383.db2.gz IUNNGLWXSBPXHS-MRVPVSSYSA-N 1 0 310.296 0.802 20 5 DCBDRO O=C(NCC[NH2+]CCOc1ccc(F)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126942629 750154818 /nfs/dbraw/zinc/15/48/18/750154818.db2.gz CRBXDJAIOOEMJG-CHWSQXEVSA-N 1 0 311.313 0.576 20 5 DCBDRO NC(=O)c1nc(-n2cc3ccc(C[NH3+])cc3n2)ccc1[N+](=O)[O-] ZINC001171315588 767851847 /nfs/dbraw/zinc/85/18/47/767851847.db2.gz RMTXYHABTMZZCQ-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc(OC)cc1[N+](=O)[O-] ZINC001155077387 759473719 /nfs/dbraw/zinc/47/37/19/759473719.db2.gz BUHCMOBGJQRVGK-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO CCc1nocc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363358 760101439 /nfs/dbraw/zinc/10/14/39/760101439.db2.gz PNBQJHFCHIDNRA-XIDUGBJDSA-N 1 0 322.365 0.887 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cscn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363968 760106688 /nfs/dbraw/zinc/10/66/88/760106688.db2.gz PAXHUPWPJOJPLB-CNVPUSNMSA-N 1 0 310.379 0.793 20 5 DCBDRO CC1(C)OCC(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CO1 ZINC001168904729 760505345 /nfs/dbraw/zinc/50/53/45/760505345.db2.gz KUWLTPLZMJQZSK-UHFFFAOYSA-N 1 0 309.326 0.635 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1ncc2c1cccc2C[NH3+] ZINC001169194339 760601081 /nfs/dbraw/zinc/60/10/81/760601081.db2.gz DIHUWSBPSQMGLR-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO O=C(CN1CCCC1=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001123342031 767966884 /nfs/dbraw/zinc/96/68/84/767966884.db2.gz YVQIOFQKUAMMNT-UHFFFAOYSA-N 1 0 320.349 0.423 20 5 DCBDRO COC(=O)Cc1ccc(NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001170044854 761676316 /nfs/dbraw/zinc/67/63/16/761676316.db2.gz NJKNENDXCXDVPA-LBPRGKRZSA-N 1 0 309.322 0.711 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC001123952271 768085320 /nfs/dbraw/zinc/08/53/20/768085320.db2.gz FBNOXNZJHYVXGK-OAHLLOKOSA-N 1 0 322.365 0.532 20 5 DCBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CNC2=O)[C@H]1C[NH2+]CCO1 ZINC001170569971 763866954 /nfs/dbraw/zinc/86/69/54/763866954.db2.gz BLVRYOHYEUNEJU-PRHODGIISA-N 1 0 306.322 0.627 20 5 DCBDRO Cn1c(=O)[nH]cc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132367333 764406860 /nfs/dbraw/zinc/40/68/60/764406860.db2.gz SEGIVLXRHMURQZ-UHFFFAOYSA-N 1 0 319.321 0.554 20 5 DCBDRO CCOC(=O)c1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170783212 765754016 /nfs/dbraw/zinc/75/40/16/765754016.db2.gz QTSXMQFRAQLKFB-CMPLNLGQSA-N 1 0 309.322 0.764 20 5 DCBDRO CNC(=O)C1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001135250449 765855899 /nfs/dbraw/zinc/85/58/99/765855899.db2.gz OYUMSNYNMFKUAM-UHFFFAOYSA-N 1 0 320.349 0.327 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001116487216 765875837 /nfs/dbraw/zinc/87/58/37/765875837.db2.gz XMWLQSUMXAWFKX-WDEREUQCSA-N 1 0 307.354 0.993 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001136492172 766310865 /nfs/dbraw/zinc/31/08/65/766310865.db2.gz SPVSKSZFCZCVPX-WCQYABFASA-N 1 0 320.349 0.891 20 5 DCBDRO C[C@H](NC(=O)N1CCNCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001120537361 767067350 /nfs/dbraw/zinc/06/73/50/767067350.db2.gz ZTKLGTQAELGSPQ-LBPRGKRZSA-N 1 0 321.381 0.860 20 5 DCBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001122182442 767734047 /nfs/dbraw/zinc/73/40/47/767734047.db2.gz VJHHAEOVCVCCEN-DCAQKATOSA-N 1 0 308.338 0.354 20 5 DCBDRO Cc1nc(N2CCN(C(=O)CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001093193322 768482957 /nfs/dbraw/zinc/48/29/57/768482957.db2.gz IWWHNZODKHOOLD-UHFFFAOYSA-N 1 0 321.381 0.899 20 5 DCBDRO [NH3+]Cc1nccnc1[N-]c1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001171448938 769117364 /nfs/dbraw/zinc/11/73/64/769117364.db2.gz AFRJBRRCKSYNNR-UHFFFAOYSA-N 1 0 302.298 0.064 20 5 DCBDRO Cn1ccc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001151085165 769257144 /nfs/dbraw/zinc/25/71/44/769257144.db2.gz YYTOUXSDJUYNET-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CN(S(C)(=O)=O)C1 ZINC001173214675 769569095 /nfs/dbraw/zinc/56/90/95/769569095.db2.gz DNXYNRADPCLMQT-SNVBAGLBSA-N 1 0 313.379 0.759 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC001176556419 770124636 /nfs/dbraw/zinc/12/46/36/770124636.db2.gz WVHLZIIITOGDMY-FZMZJTMJSA-N 1 0 307.354 0.687 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001154765904 770286956 /nfs/dbraw/zinc/28/69/56/770286956.db2.gz LXHPAFYFNOYCDP-UHFFFAOYSA-N 1 0 309.735 0.071 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001155375631 770481687 /nfs/dbraw/zinc/48/16/87/770481687.db2.gz GFRAQLDFHUGHFI-ZDUSSCGKSA-N 1 0 321.381 0.396 20 5 DCBDRO Cc1ccnc(NCc2nnn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001155394266 770490342 /nfs/dbraw/zinc/49/03/42/770490342.db2.gz QMGUYMXCKZBOCT-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO COc1nc(NCc2nnc3n2CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155425518 770498589 /nfs/dbraw/zinc/49/85/89/770498589.db2.gz ZSVDJLAKBLTOQX-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1nnc2n1CCC[NH2+]C2 ZINC001155430265 770500214 /nfs/dbraw/zinc/50/02/14/770500214.db2.gz KNUFDPWMCKGVQP-UHFFFAOYSA-N 1 0 319.325 0.234 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001155522996 770534128 /nfs/dbraw/zinc/53/41/28/770534128.db2.gz MEVZBMUXWQNKHR-HLUHBDAQSA-N 1 0 323.309 0.934 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncnc3ccc([N+](=O)[O-])cc32)N1 ZINC001155569834 770546429 /nfs/dbraw/zinc/54/64/29/770546429.db2.gz HVDBEIOWIHWMAA-SMDDNHRTSA-N 1 0 314.305 0.528 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)N1 ZINC001155574469 770550895 /nfs/dbraw/zinc/55/08/95/770550895.db2.gz HMEHLLIITGNDOP-NOZJJQNGSA-N 1 0 302.294 0.461 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001155591952 770558411 /nfs/dbraw/zinc/55/84/11/770558411.db2.gz LLWJNDDDUUQZFQ-RISCZKNCSA-N 1 0 308.338 0.799 20 5 DCBDRO NC(=O)COc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC001178064650 770605975 /nfs/dbraw/zinc/60/59/75/770605975.db2.gz VUVUIOVBVRUVFY-UHFFFAOYSA-N 1 0 319.321 0.445 20 5 DCBDRO O=C(NCCCCCC[NH2+]Cc1ncccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458761 770759541 /nfs/dbraw/zinc/75/95/41/770759541.db2.gz WZMNYVLCRNSSDS-CHWSQXEVSA-N 1 0 321.381 0.908 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@@H]2CCCCO2)ncnc1N1CC[NH2+]CC1 ZINC001156370552 770798470 /nfs/dbraw/zinc/79/84/70/770798470.db2.gz ZXRYTKCOOYMMFR-NSHDSACASA-N 1 0 322.369 0.775 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001156825415 770936573 /nfs/dbraw/zinc/93/65/73/770936573.db2.gz OHXYPPIUDDLTLC-UHFFFAOYSA-N 1 0 311.305 0.970 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(OC)nc(C)c1[N+](=O)[O-] ZINC001157116381 771539499 /nfs/dbraw/zinc/53/94/99/771539499.db2.gz PIMXTCQPMJONFJ-MRVPVSSYSA-N 1 0 313.314 0.394 20 5 DCBDRO Cn1nncc1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157349085 771592253 /nfs/dbraw/zinc/59/22/53/771592253.db2.gz HMZBAYOYZDVXAE-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO Cn1cnc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001157494003 771619996 /nfs/dbraw/zinc/61/99/96/771619996.db2.gz SRCJAEMGFGCBAC-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO CC(C)c1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC001157767844 771666461 /nfs/dbraw/zinc/66/64/61/771666461.db2.gz XMJJGNPGYQEMQK-NXEZZACHSA-N 1 0 310.358 0.189 20 5 DCBDRO Cc1ccc(-c2ccc(-n3nnnc3C[NH3+])nn2)cc1[N+](=O)[O-] ZINC001158077101 771722797 /nfs/dbraw/zinc/72/27/97/771722797.db2.gz NZOZEWXVMBZJMT-UHFFFAOYSA-N 1 0 312.293 0.795 20 5 DCBDRO Cc1cc(Cl)c([N+](=O)[O-])c(-n2cncc2C[C@@H]([NH3+])CO)n1 ZINC001158203563 771740355 /nfs/dbraw/zinc/74/03/55/771740355.db2.gz FVJXIBXQCZJELD-MRVPVSSYSA-N 1 0 311.729 0.999 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001158634826 771797556 /nfs/dbraw/zinc/79/75/56/771797556.db2.gz HESBGVYWINIFFJ-SMDDNHRTSA-N 1 0 321.337 0.303 20 5 DCBDRO CO[C@@H]1CN(c2nc(SC)nc(Cl)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158705708 771810854 /nfs/dbraw/zinc/81/08/54/771810854.db2.gz TVUFXWLYDPGQQR-NTSWFWBYSA-N 1 0 319.774 0.922 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(C[NH2+]C2)CC1 ZINC001159039576 771850145 /nfs/dbraw/zinc/85/01/45/771850145.db2.gz CFSZQKFHENPZLO-UHFFFAOYSA-N 1 0 306.322 0.966 20 5 DCBDRO COC(=O)c1ccnc(N2CCC3(C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001159043349 771851220 /nfs/dbraw/zinc/85/12/20/771851220.db2.gz WUIKVGBZYKNAPQ-UHFFFAOYSA-N 1 0 306.322 0.966 20 5 DCBDRO COC(=O)c1ccnc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159497215 771919528 /nfs/dbraw/zinc/91/95/28/771919528.db2.gz HESOZBRVYRGXNB-SCZZXKLOSA-N 1 0 310.310 0.565 20 5 DCBDRO C[C@@H]1COCC[C@H]1Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001159709075 771948178 /nfs/dbraw/zinc/94/81/78/771948178.db2.gz NPEAQNAXJGEMAN-GHMZBOCLSA-N 1 0 322.369 0.631 20 5 DCBDRO [NH3+]CCN(CCNc1ncc(F)cc1[N+](=O)[O-])N(O)N=O ZINC001161088103 772165694 /nfs/dbraw/zinc/16/56/94/772165694.db2.gz XIUNGRJMKVELEK-UHFFFAOYSA-N 1 0 303.254 0.089 20 5 DCBDRO O=[N+]([O-])c1c(NCCCn2ccnc2)ncnc1C1C[NH2+]C1 ZINC001161682550 772265292 /nfs/dbraw/zinc/26/52/92/772265292.db2.gz UWYVHIYEOIAHEY-UHFFFAOYSA-N 1 0 303.326 0.770 20 5 DCBDRO [NH3+]Cc1cn(-c2cc([N+](=O)[O-])cc(Br)[n+]2[O-])cn1 ZINC001162302608 772356039 /nfs/dbraw/zinc/35/60/39/772356039.db2.gz WGHWLTWNAXNZOO-UHFFFAOYSA-N 1 0 314.099 0.635 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc([N+](=O)[O-])c(=O)n(C)c1 ZINC001162538117 772388515 /nfs/dbraw/zinc/38/85/15/772388515.db2.gz ZOPKTYUYNUSLJI-UHFFFAOYSA-N 1 0 321.293 0.115 20 5 DCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001162618416 772398955 /nfs/dbraw/zinc/39/89/55/772398955.db2.gz AXGCRBTTYUATKW-LLVKDONJSA-N 1 0 323.353 0.413 20 5 DCBDRO COC(=O)[C@@H](Nc1c(F)c([N+](=O)[O-])cc[n+]1[O-])C(C)(C)[NH3+] ZINC001162941829 772433998 /nfs/dbraw/zinc/43/39/98/772433998.db2.gz COJHOCBVOQQBOA-MRVPVSSYSA-N 1 0 302.262 0.058 20 5 DCBDRO NC(=O)c1nc(NCc2noc3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001163125012 772468267 /nfs/dbraw/zinc/46/82/67/772468267.db2.gz YPSTXDQXPYVPDL-UHFFFAOYSA-N 1 0 318.293 0.335 20 5 DCBDRO Cn1cc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc([N+](=O)[O-])c1=O ZINC001163172483 772476906 /nfs/dbraw/zinc/47/69/06/772476906.db2.gz SOYVGPBXEFBFKX-IRUJWGPZSA-N 1 0 308.338 0.330 20 5 DCBDRO CN(C)c1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254238 772493786 /nfs/dbraw/zinc/49/37/86/772493786.db2.gz QDZCDISGHIPESA-GXTWGEPZSA-N 1 0 305.338 0.651 20 5 DCBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1ncnc(OC)c1[N+](=O)[O-] ZINC001163438656 772524993 /nfs/dbraw/zinc/52/49/93/772524993.db2.gz MVKZAUKNCYYHSC-QMMMGPOBSA-N 1 0 312.330 0.049 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001163604473 772546497 /nfs/dbraw/zinc/54/64/97/772546497.db2.gz CHHWJLPJBPUJHD-HNNXBMFYSA-N 1 0 322.365 0.587 20 5 DCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC[C@]1(C)O ZINC001164354853 772649555 /nfs/dbraw/zinc/64/95/55/772649555.db2.gz VCQVIPHAVLWKKU-OTYXRUKQSA-N 1 0 307.354 0.669 20 5 DCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC[C@@]1(C)O ZINC001164354852 772649577 /nfs/dbraw/zinc/64/95/77/772649577.db2.gz VCQVIPHAVLWKKU-LKFCYVNXSA-N 1 0 307.354 0.669 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCN(CCF)CC2)nc1C1C[NH2+]C1 ZINC001165105909 772694875 /nfs/dbraw/zinc/69/48/75/772694875.db2.gz QZHSEQQJAIHIEA-UHFFFAOYSA-N 1 0 310.333 0.163 20 5 DCBDRO [NH3+][C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]1O ZINC001165151686 772701599 /nfs/dbraw/zinc/70/15/99/772701599.db2.gz XDYFXIKOLZCAPG-HTQZYQBOSA-N 1 0 308.672 0.696 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(-n2c(C)nc3c2CC[NH2+]CC3)n1 ZINC001165353097 772727555 /nfs/dbraw/zinc/72/75/55/772727555.db2.gz KYQMJSQUKSRZGJ-UHFFFAOYSA-N 1 0 318.337 0.884 20 5 DCBDRO COCc1nn(-c2ncc([N+](=O)[O-])c(OC)n2)c2c1C[NH2+]C2 ZINC001165634037 772752125 /nfs/dbraw/zinc/75/21/25/772752125.db2.gz KXHDCWLETCXMML-UHFFFAOYSA-N 1 0 306.282 0.329 20 5 DCBDRO COc1ccccc1C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001204729940 772959575 /nfs/dbraw/zinc/95/95/75/772959575.db2.gz XIJNNGZBYQADDU-GFCCVEGCSA-N 1 0 310.370 0.878 20 5 DCBDRO CNC(=O)NC(=O)CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196908467 773666295 /nfs/dbraw/zinc/66/62/95/773666295.db2.gz QQKOJCCLVHXPJU-CQSZACIVSA-N 1 0 324.337 0.238 20 5 DCBDRO Nc1ccc2n(C(=O)[C@H]3C[NH2+]C[C@H]3O)c3ccccc3cc-2c1=O ZINC001219255459 774425243 /nfs/dbraw/zinc/42/52/43/774425243.db2.gz AIHVDNRVMMILEB-BLLLJJGKSA-N 1 0 323.352 0.909 20 5 DCBDRO CCOC(=O)[C@](C)(CCO[C@H](C)C[N+](C)(C)C)S(C)(=O)=O ZINC001225070574 775640308 /nfs/dbraw/zinc/64/03/08/775640308.db2.gz CPBNRKXGCBYUTB-OCCSQVGLSA-N 1 0 324.463 0.854 20 5 DCBDRO COc1nccc2c(OC(=O)C[C@@H](O)C[N+](C)(C)C)ncnc21 ZINC001226717416 775867427 /nfs/dbraw/zinc/86/74/27/775867427.db2.gz JEMDCBPKXPQELC-SNVBAGLBSA-N 1 0 321.357 0.396 20 5 DCBDRO COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001266696512 939213238 /nfs/dbraw/zinc/21/32/38/939213238.db2.gz KYJJXRSUHLCIQB-VXGBXAGGSA-N 1 0 308.338 0.303 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cccnc1C ZINC001480973988 939507971 /nfs/dbraw/zinc/50/79/71/939507971.db2.gz CRZRGSPVKFLZQV-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCOCC1 ZINC001481136793 939581857 /nfs/dbraw/zinc/58/18/57/939581857.db2.gz PPQWRBXYIYNGPY-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001318302807 945316700 /nfs/dbraw/zinc/31/67/00/945316700.db2.gz MGEFMQKACJWOSR-JTQLQIEISA-N 1 0 324.385 0.002 20 5 DCBDRO O=C(NCC1([NH2+]Cc2ccc(CO)cc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483731905 942770413 /nfs/dbraw/zinc/77/04/13/942770413.db2.gz AFKJYTQBGINXSG-ZIAGYGMSSA-N 1 0 319.361 0.583 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC001318555670 945401071 /nfs/dbraw/zinc/40/10/71/945401071.db2.gz QRVYNFVXIYYYLU-UHFFFAOYSA-N 1 0 324.385 0.004 20 5 DCBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC(N)=O ZINC001320703224 945986775 /nfs/dbraw/zinc/98/67/75/945986775.db2.gz RVBABPBETGBWMH-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO CC[NH+]1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001252903588 946026928 /nfs/dbraw/zinc/02/69/28/946026928.db2.gz ZAZXJQOBMXJKOP-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001321386222 946306277 /nfs/dbraw/zinc/30/62/77/946306277.db2.gz KNRMANUAXLJEHY-IJLUTSLNSA-N 1 0 312.326 0.084 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254544710 946406155 /nfs/dbraw/zinc/40/61/55/946406155.db2.gz KFQLSVVHOTUTIC-MNOVXSKESA-N 1 0 323.349 0.793 20 5 DCBDRO O=C1C[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1 ZINC001326161010 948078596 /nfs/dbraw/zinc/07/85/96/948078596.db2.gz UHYVVKCNWBADFU-WDEREUQCSA-N 1 0 309.322 0.060 20 5 DCBDRO CC(=O)c1ccc(OCC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001326331330 948131721 /nfs/dbraw/zinc/13/17/21/948131721.db2.gz VLVLUQPKLGUPGP-UHFFFAOYSA-N 1 0 307.306 0.608 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001326353039 948138212 /nfs/dbraw/zinc/13/82/12/948138212.db2.gz WJLDXIKPAGTANY-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001328432098 948893550 /nfs/dbraw/zinc/89/35/50/948893550.db2.gz MWTXVSRXGNMBFD-ZDUSSCGKSA-N 1 0 320.349 0.661 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001330019042 950064486 /nfs/dbraw/zinc/06/44/86/950064486.db2.gz IBGNVZZQWZYEMK-UHFFFAOYSA-N 1 0 308.338 0.061 20 5 DCBDRO O=C(NCC[NH2+]C1CC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001331475471 951133954 /nfs/dbraw/zinc/13/39/54/951133954.db2.gz LMGRRBXFBYRZKT-UHFFFAOYSA-N 1 0 320.349 0.122 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCC2 ZINC001331962855 951411814 /nfs/dbraw/zinc/41/18/14/951411814.db2.gz NTABIHJOSSFRFE-GXSJLCMTSA-N 1 0 321.341 0.041 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[C@H](C)[NH2+]C)c([N+](=O)[O-])n1 ZINC001332325763 951587808 /nfs/dbraw/zinc/58/78/08/951587808.db2.gz RRGGAGIZOGDLTH-QMMMGPOBSA-N 1 0 305.360 0.088 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC001332595170 951713733 /nfs/dbraw/zinc/71/37/33/951713733.db2.gz VDAQGMFNTRULJG-UHFFFAOYSA-N 1 0 307.354 0.508 20 5 DCBDRO C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[NH2+]CCO1 ZINC001333336006 952010683 /nfs/dbraw/zinc/01/06/83/952010683.db2.gz KMIJMPQYLXLHMS-HNNXBMFYSA-N 1 0 305.334 0.858 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001333355091 952020365 /nfs/dbraw/zinc/02/03/65/952020365.db2.gz YYPBVGPZNAYAMA-VXGBXAGGSA-N 1 0 320.349 0.357 20 5 DCBDRO COCC[NH+](CCOC)C1CN(c2ccncc2[N+](=O)[O-])C1 ZINC001338030266 952949857 /nfs/dbraw/zinc/94/98/57/952949857.db2.gz WZPDCGYETFCBGF-UHFFFAOYSA-N 1 0 310.354 0.773 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001340001592 953137382 /nfs/dbraw/zinc/13/73/82/953137382.db2.gz FWSPGVSJSFWRSO-GFCCVEGCSA-N 1 0 312.757 0.768 20 5 DCBDRO Cc1c(CC(=O)N[C@@H]2COC3(C[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC001340736079 953191166 /nfs/dbraw/zinc/19/11/66/953191166.db2.gz RVXSMVCIYSUYFV-LBPRGKRZSA-N 1 0 305.334 0.693 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001341640724 953241837 /nfs/dbraw/zinc/24/18/37/953241837.db2.gz RYUZIFNQPHNVCQ-GFCCVEGCSA-N 1 0 323.349 0.972 20 5 DCBDRO Cc1cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC001348695585 954431644 /nfs/dbraw/zinc/43/16/44/954431644.db2.gz DXWAHXQOHUPRAT-NSHDSACASA-N 1 0 306.322 0.662 20 5 DCBDRO CC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C[C@@H]2CCOC2)CC1 ZINC001349222103 954658674 /nfs/dbraw/zinc/65/86/74/954658674.db2.gz FSLULAXLMFTCMA-LBPRGKRZSA-N 1 0 324.385 0.233 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC001354498012 956408671 /nfs/dbraw/zinc/40/86/71/956408671.db2.gz DRWKGWVHSNJAOB-GFCCVEGCSA-N 1 0 321.341 0.150 20 5 DCBDRO C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001357584152 957325777 /nfs/dbraw/zinc/32/57/77/957325777.db2.gz ZTKLGTQAELGSPQ-GFCCVEGCSA-N 1 0 321.381 0.860 20 5 DCBDRO CN(C)C(=O)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC000201161305 957829797 /nfs/dbraw/zinc/82/97/97/957829797.db2.gz LKUBJDOBNNMRTG-GFCCVEGCSA-N 1 0 309.386 0.751 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)n1 ZINC001307074370 960139871 /nfs/dbraw/zinc/13/98/71/960139871.db2.gz AWVDHHKBEMKOMX-LLVKDONJSA-N 1 0 322.369 0.247 20 5 DCBDRO COc1cc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001528681213 1014382405 /nfs/dbraw/zinc/38/24/05/1014382405.db2.gz WCDUDRQHUCDGHV-OAHLLOKOSA-N 1 0 323.349 0.742 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001466683537 1016099821 /nfs/dbraw/zinc/09/98/21/1016099821.db2.gz SYRPPYHBUTVZRY-OAHLLOKOSA-N 1 0 323.349 0.790 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC001471373362 1016564917 /nfs/dbraw/zinc/56/49/17/1016564917.db2.gz KVHKQGXVXWLSII-AWEZNQCLSA-N 1 0 308.338 0.316 20 5 DCBDRO C[NH+]1CCC(N(CCO)C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001557254300 1012270611 /nfs/dbraw/zinc/27/06/11/1012270611.db2.gz JESMFASGJXJMDY-UHFFFAOYSA-N 1 0 323.353 0.101 20 5 DCBDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001561013504 1012459271 /nfs/dbraw/zinc/45/92/71/1012459271.db2.gz WCPFSCVTGZUJGU-QARRAHMOSA-N 1 0 314.367 0.518 20 5 DCBDRO COc1cc(CNC[C@@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1O ZINC001461195477 1013014648 /nfs/dbraw/zinc/01/46/48/1013014648.db2.gz LYBJVDLWINDHOP-GFCCVEGCSA-N 1 0 324.381 0.644 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC001516689675 1017152449 /nfs/dbraw/zinc/15/24/49/1017152449.db2.gz MLESAIALWGQJGU-LLVKDONJSA-N 1 0 320.349 0.970 20 5 DCBDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@H]1C ZINC001519565661 1017218541 /nfs/dbraw/zinc/21/85/41/1017218541.db2.gz CPBZKIRPKWLXES-VXGBXAGGSA-N 1 0 310.402 0.943 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001521286171 1017345868 /nfs/dbraw/zinc/34/58/68/1017345868.db2.gz FCOBAZZBSOKSBS-IUODEOHRSA-N 1 0 318.377 0.642 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC1 ZINC000272746174 210151546 /nfs/dbraw/zinc/15/15/46/210151546.db2.gz SAXLRIFZOHHTOK-UHFFFAOYSA-N 1 0 309.326 0.568 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286950164 219240338 /nfs/dbraw/zinc/24/03/38/219240338.db2.gz KLPKGNSHSHTEQI-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO NC(=O)[C@@H](Cc1ccc(F)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000273047658 283313014 /nfs/dbraw/zinc/31/30/14/283313014.db2.gz WLCKOBBECVWKLX-CYBMUJFWSA-N 1 0 321.312 0.617 20 5 DCBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372748796 283336825 /nfs/dbraw/zinc/33/68/25/283336825.db2.gz LFQSLHDWIVFYME-QKCSRTOESA-N 1 0 320.349 0.342 20 5 DCBDRO O=C(C[C@H]1C[NH2+]CCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157471800 237057676 /nfs/dbraw/zinc/05/76/76/237057676.db2.gz XEDJVSSPRFMALP-AWEZNQCLSA-N 1 0 305.334 0.858 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161431824 237093054 /nfs/dbraw/zinc/09/30/54/237093054.db2.gz QKYZDKYAVOOASA-LBPRGKRZSA-N 1 0 317.367 0.186 20 5 DCBDRO C[N@H+]1CC=C(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000271866741 209281616 /nfs/dbraw/zinc/28/16/16/209281616.db2.gz JJUODKLILSYDGK-UHFFFAOYSA-N 1 0 318.333 0.911 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C(F)F ZINC000566231447 291285179 /nfs/dbraw/zinc/28/51/79/291285179.db2.gz CADZPPMDXRXATE-PSASIEDQSA-N 1 0 306.265 0.550 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415263124 239534068 /nfs/dbraw/zinc/53/40/68/239534068.db2.gz APDSTRHHYFWDFU-SNVBAGLBSA-N 1 0 306.322 0.791 20 5 DCBDRO COc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000415443420 239576939 /nfs/dbraw/zinc/57/69/39/239576939.db2.gz QZUWSEOYXSRDJM-NSHDSACASA-N 1 0 323.353 0.629 20 5 DCBDRO CN(CCC[NH3+])C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000566508309 291310015 /nfs/dbraw/zinc/31/00/15/291310015.db2.gz HQOSSJXHEYWLOH-UHFFFAOYSA-N 1 0 306.326 0.961 20 5 DCBDRO C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000420331659 240022724 /nfs/dbraw/zinc/02/27/24/240022724.db2.gz FOKFAVOZFNNARM-NSHDSACASA-N 1 0 304.350 0.778 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420018980 240006304 /nfs/dbraw/zinc/00/63/04/240006304.db2.gz ZGMKWCHQOIXMGJ-SNVBAGLBSA-N 1 0 320.349 0.549 20 5 DCBDRO [NH3+]CCN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000423652571 240232022 /nfs/dbraw/zinc/23/20/22/240232022.db2.gz NPALDFWEMOJHPH-UHFFFAOYSA-N 1 0 303.322 0.962 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000441609564 240528237 /nfs/dbraw/zinc/52/82/37/240528237.db2.gz FBNYWIQHVXAPIZ-SECBINFHSA-N 1 0 304.310 0.500 20 5 DCBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000567262448 291345839 /nfs/dbraw/zinc/34/58/39/291345839.db2.gz OZVKBRKPCRMQAI-NHYWBVRUSA-N 1 0 323.349 0.593 20 5 DCBDRO O=C(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])NCC1CC1 ZINC000569687420 291490592 /nfs/dbraw/zinc/49/05/92/291490592.db2.gz SUJHSZNYCVJWHF-GFCCVEGCSA-N 1 0 323.349 0.450 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000264752920 204129070 /nfs/dbraw/zinc/12/90/70/204129070.db2.gz RMLMBMHGCLYICF-CQSZACIVSA-N 1 0 321.381 0.640 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000574812909 291717873 /nfs/dbraw/zinc/71/78/73/291717873.db2.gz LMBVFPIYUDASBH-ZJUUUORDSA-N 1 0 322.365 0.761 20 5 DCBDRO C[NH+](C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000339860775 253155709 /nfs/dbraw/zinc/15/57/09/253155709.db2.gz DYWAWXQVFZOAIQ-UHFFFAOYSA-N 1 0 308.338 0.393 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCSC[C@H]1CCO ZINC000341595443 253399759 /nfs/dbraw/zinc/39/97/59/253399759.db2.gz VEDGVVKYTNXUJW-GFCCVEGCSA-N 1 0 313.379 0.556 20 5 DCBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154025 254015845 /nfs/dbraw/zinc/01/58/45/254015845.db2.gz ILBAIENOAIZIOQ-YNEHKIRRSA-N 1 0 321.381 0.980 20 5 DCBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305605 254146542 /nfs/dbraw/zinc/14/65/42/254146542.db2.gz LWUZNHBNAYTIJN-VHDGCEQUSA-N 1 0 323.397 0.711 20 5 DCBDRO Cc1cccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000348568898 254245313 /nfs/dbraw/zinc/24/53/13/254245313.db2.gz DZAOXUGVCUOGPS-CQSZACIVSA-N 1 0 305.338 0.988 20 5 DCBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000349033021 254270568 /nfs/dbraw/zinc/27/05/68/254270568.db2.gz YFZLRTUXCJAVPR-SNVBAGLBSA-N 1 0 316.321 0.641 20 5 DCBDRO [NH3+][C@H]1CCc2ncc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2C1 ZINC000349033018 254270704 /nfs/dbraw/zinc/27/07/04/254270704.db2.gz YFZLRTUXCJAVPR-JTQLQIEISA-N 1 0 316.321 0.641 20 5 DCBDRO CC(C)(C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000351169931 254334496 /nfs/dbraw/zinc/33/44/96/254334496.db2.gz RNENBXKBWLSQEA-ZMLRMANQSA-N 1 0 307.354 0.722 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CC[NH3+] ZINC000349941267 254305447 /nfs/dbraw/zinc/30/54/47/254305447.db2.gz WKCIYEFTZZBDIQ-WCBMZHEXSA-N 1 0 312.374 0.681 20 5 DCBDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351489079 254338819 /nfs/dbraw/zinc/33/88/19/254338819.db2.gz BYOWWIWUVPLVNC-NSHDSACASA-N 1 0 324.312 0.883 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351531940 254343811 /nfs/dbraw/zinc/34/38/11/254343811.db2.gz FPDQZAXKASOFCB-NSHDSACASA-N 1 0 306.322 0.710 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353402193 254454490 /nfs/dbraw/zinc/45/44/90/254454490.db2.gz QJYHFLQEBMXNOM-VXGBXAGGSA-N 1 0 307.354 0.558 20 5 DCBDRO C[C@@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])c(N)n2)C[C@@H](C)O1 ZINC000071951587 184912061 /nfs/dbraw/zinc/91/20/61/184912061.db2.gz JQSLQXRZYURNPX-NXEZZACHSA-N 1 0 310.358 0.878 20 5 DCBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000275542969 130332340 /nfs/dbraw/zinc/33/23/40/130332340.db2.gz GZKPETZRLFKAFD-SNVBAGLBSA-N 1 0 310.354 0.840 20 5 DCBDRO O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285463888 131170149 /nfs/dbraw/zinc/17/01/49/131170149.db2.gz UHZMPODGLWXCLW-UHFFFAOYSA-N 1 0 323.353 0.693 20 5 DCBDRO CCNC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026595118 395694469 /nfs/dbraw/zinc/69/44/69/395694469.db2.gz HXGUGASWSLXHHR-UHFFFAOYSA-N 1 0 307.354 0.638 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000045054304 395760843 /nfs/dbraw/zinc/76/08/43/395760843.db2.gz IWDXTAKNQQSDTP-UHFFFAOYSA-N 1 0 316.321 0.535 20 5 DCBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000111304245 395806922 /nfs/dbraw/zinc/80/69/22/395806922.db2.gz IAWMTHDZPJEDNJ-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000048606181 395820461 /nfs/dbraw/zinc/82/04/61/395820461.db2.gz MFVBLEMBQBBZQM-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000118109410 395860119 /nfs/dbraw/zinc/86/01/19/395860119.db2.gz MEHYNJMAPRWFTD-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000050241768 395838188 /nfs/dbraw/zinc/83/81/88/395838188.db2.gz RCIQVNDMVDWLKR-QMMMGPOBSA-N 1 0 301.324 0.325 20 5 DCBDRO CS[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1[NH+](C)C ZINC000271215821 395847421 /nfs/dbraw/zinc/84/74/21/395847421.db2.gz ZFTLGDHLUCDPDV-UWVGGRQHSA-N 1 0 313.383 0.295 20 5 DCBDRO C[NH+](C)C1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000270727226 395801819 /nfs/dbraw/zinc/80/18/19/395801819.db2.gz DHZSPZJRVGDJNB-UHFFFAOYSA-N 1 0 320.349 0.487 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272449549 395892422 /nfs/dbraw/zinc/89/24/22/395892422.db2.gz NJHMGSOLDYPQKE-UHFFFAOYSA-N 1 0 321.381 0.544 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272503930 395895570 /nfs/dbraw/zinc/89/55/70/395895570.db2.gz OBISSYSFQSMJDC-NWDGAFQWSA-N 1 0 307.354 0.652 20 5 DCBDRO CC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000054266387 395896788 /nfs/dbraw/zinc/89/67/88/395896788.db2.gz VUKGHYBARSNPFY-UHFFFAOYSA-N 1 0 303.340 0.491 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(C[NH+]2CCOCC2)CC1 ZINC000052326001 395862524 /nfs/dbraw/zinc/86/25/24/395862524.db2.gz UIAKUTGDOCARJO-UHFFFAOYSA-N 1 0 309.370 0.877 20 5 DCBDRO CC[NH+](CC)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273667158 395936370 /nfs/dbraw/zinc/93/63/70/395936370.db2.gz XCAVCXBVQIRVEX-UHFFFAOYSA-N 1 0 322.369 0.375 20 5 DCBDRO C[NH+]1CCC(CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151295056 395983590 /nfs/dbraw/zinc/98/35/90/395983590.db2.gz IONNBAPLYHDJLX-UHFFFAOYSA-N 1 0 324.385 0.822 20 5 DCBDRO COC(=O)c1cnc(NC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000276811152 396029479 /nfs/dbraw/zinc/02/94/79/396029479.db2.gz SCXOOOMDMFYVHJ-CYBMUJFWSA-N 1 0 312.326 0.501 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261599571 396047665 /nfs/dbraw/zinc/04/76/65/396047665.db2.gz BFKDXMUAJVJGIX-ZWNOBZJWSA-N 1 0 311.363 0.967 20 5 DCBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000261678730 396055524 /nfs/dbraw/zinc/05/55/24/396055524.db2.gz CUZYOIGJFIEZPO-LBPRGKRZSA-N 1 0 305.342 0.171 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000261775584 396065235 /nfs/dbraw/zinc/06/52/35/396065235.db2.gz WKRANRHZDYIEFT-WPRPVWTQSA-N 1 0 315.351 0.714 20 5 DCBDRO Cc1nc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262119359 396101418 /nfs/dbraw/zinc/10/14/18/396101418.db2.gz KMSCTJSCYJJJHW-LLVKDONJSA-N 1 0 307.354 0.590 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000171127106 396108175 /nfs/dbraw/zinc/10/81/75/396108175.db2.gz YBTGNPUOUQWKQE-UHFFFAOYSA-N 1 0 313.358 0.184 20 5 DCBDRO C[C@H]1C[NH+](CCCNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000071951586 396125222 /nfs/dbraw/zinc/12/52/22/396125222.db2.gz JQSLQXRZYURNPX-UWVGGRQHSA-N 1 0 310.358 0.878 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178726803 396205816 /nfs/dbraw/zinc/20/58/16/396205816.db2.gz KWZGLRPXFRZNQX-ZYHUDNBSSA-N 1 0 320.349 0.581 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262559410 396155341 /nfs/dbraw/zinc/15/53/41/396155341.db2.gz UZMIDWOJBAVMFX-DGCLKSJQSA-N 1 0 304.350 0.735 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262561388 396155570 /nfs/dbraw/zinc/15/55/70/396155570.db2.gz VODBJWNXBHNWOA-AAEUAGOBSA-N 1 0 304.350 0.878 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[N@@H+]1C1CC1 ZINC000177188899 396168764 /nfs/dbraw/zinc/16/87/64/396168764.db2.gz SBTOMTORYABSDP-QWRGUYRKSA-N 1 0 320.349 0.498 20 5 DCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000076402022 396203321 /nfs/dbraw/zinc/20/33/21/396203321.db2.gz RLXBORVITSDIMB-JTQLQIEISA-N 1 0 323.353 0.240 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000264451586 396281311 /nfs/dbraw/zinc/28/13/11/396281311.db2.gz CWUDMGDMOPMNPM-NSHDSACASA-N 1 0 308.338 0.628 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000179186990 396223831 /nfs/dbraw/zinc/22/38/31/396223831.db2.gz AGQHQPGIXCYTBX-UWVGGRQHSA-N 1 0 308.338 0.519 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000184845348 396308353 /nfs/dbraw/zinc/30/83/53/396308353.db2.gz CSSGFZJNQMBAFM-VXGBXAGGSA-N 1 0 320.349 0.827 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000269269222 396402272 /nfs/dbraw/zinc/40/22/72/396402272.db2.gz LTGAPXBKXQDVLV-GWCFXTLKSA-N 1 0 322.365 0.813 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000269274702 396402808 /nfs/dbraw/zinc/40/28/08/396402808.db2.gz NZKIQUHBTWBAPZ-NSHDSACASA-N 1 0 318.337 0.889 20 5 DCBDRO C[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000291734158 396509785 /nfs/dbraw/zinc/50/97/85/396509785.db2.gz JXSHOLOLWVQTIP-JTQLQIEISA-N 1 0 308.338 0.847 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O)C1CC1 ZINC000290818618 396473243 /nfs/dbraw/zinc/47/32/43/396473243.db2.gz SFAWUHGIJINRNV-SNVBAGLBSA-N 1 0 301.730 0.865 20 5 DCBDRO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372748792 396543748 /nfs/dbraw/zinc/54/37/48/396543748.db2.gz LFQSLHDWIVFYME-JKOKRWQUSA-N 1 0 320.349 0.342 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595273886 396575781 /nfs/dbraw/zinc/57/57/81/396575781.db2.gz MUNFZFDGKDOQGX-MRVPVSSYSA-N 1 0 306.326 0.878 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])[C@H]2C1 ZINC000294012712 396648431 /nfs/dbraw/zinc/64/84/31/396648431.db2.gz YOIHBXHHSXGJHE-WDEREUQCSA-N 1 0 323.353 0.562 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc2c(s1)CC[NH2+]C2 ZINC000595926163 396683673 /nfs/dbraw/zinc/68/36/73/396683673.db2.gz HBNLZMXFMSNSFN-UHFFFAOYSA-N 1 0 321.362 0.929 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000595930047 396684805 /nfs/dbraw/zinc/68/48/05/396684805.db2.gz MULMOEIWTWYEMX-RYUDHWBXSA-N 1 0 323.305 0.684 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000563003882 396692130 /nfs/dbraw/zinc/69/21/30/396692130.db2.gz XYULCVGTCAJOPO-UKRRQHHQSA-N 1 0 323.397 0.759 20 5 DCBDRO CCc1cnccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563013308 396693169 /nfs/dbraw/zinc/69/31/69/396693169.db2.gz IHDKMCXXEGSCOC-AWEZNQCLSA-N 1 0 305.338 0.899 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000595958023 396696092 /nfs/dbraw/zinc/69/60/92/396696092.db2.gz YFEIICRSAPKKTG-JTQLQIEISA-N 1 0 321.259 0.450 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000588866500 396697047 /nfs/dbraw/zinc/69/70/47/396697047.db2.gz KILWHNBKUPFFKF-SNVBAGLBSA-N 1 0 318.333 0.795 20 5 DCBDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596067011 396713852 /nfs/dbraw/zinc/71/38/52/396713852.db2.gz JEPJYXJVSYBQPI-NQBHXWOUSA-N 1 0 324.333 0.876 20 5 DCBDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000596067010 396714192 /nfs/dbraw/zinc/71/41/92/396714192.db2.gz JEPJYXJVSYBQPI-GVXVVHGQSA-N 1 0 324.333 0.876 20 5 DCBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])s1 ZINC000596461731 396781710 /nfs/dbraw/zinc/78/17/10/396781710.db2.gz IVYNEUBOQXFHKP-UHFFFAOYSA-N 1 0 301.372 0.508 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000610925369 396784877 /nfs/dbraw/zinc/78/48/77/396784877.db2.gz AQWJNTPQOOAZTN-GFCCVEGCSA-N 1 0 322.365 0.916 20 5 DCBDRO CN(CC(=O)N[C@H](CO)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000590549667 396792558 /nfs/dbraw/zinc/79/25/58/396792558.db2.gz NIWNZRCVSVTASB-NSHDSACASA-N 1 0 310.354 0.070 20 5 DCBDRO C[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@@H+]1CC(C)(C)O ZINC000596222839 396736543 /nfs/dbraw/zinc/73/65/43/396736543.db2.gz NMUPFRHZVKYTEL-SNVBAGLBSA-N 1 0 309.370 0.853 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CC[C@@H](CO)O1)OCCO2 ZINC000590067860 396738691 /nfs/dbraw/zinc/73/86/91/396738691.db2.gz HEYRULUEUYTQME-NEPJUHHUSA-N 1 0 324.333 0.996 20 5 DCBDRO C[NH+](C)CC1CN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596247195 396742685 /nfs/dbraw/zinc/74/26/85/396742685.db2.gz MKZAXRLTYJEXRJ-UHFFFAOYSA-N 1 0 313.379 0.996 20 5 DCBDRO CCC(CC)(C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000563534290 396748467 /nfs/dbraw/zinc/74/84/67/396748467.db2.gz GEMGUQXNVUKWJG-UHFFFAOYSA-N 1 0 302.356 0.786 20 5 DCBDRO NC(=O)C1(O)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000590737801 396829258 /nfs/dbraw/zinc/82/92/58/396829258.db2.gz KEGJDRFORPIGLM-UHFFFAOYSA-N 1 0 323.349 0.676 20 5 DCBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+]2CCN1CCC2 ZINC000611200841 396834217 /nfs/dbraw/zinc/83/42/17/396834217.db2.gz DOQRTNCRRIMROD-CQSZACIVSA-N 1 0 304.350 0.601 20 5 DCBDRO CCc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600537218 396887082 /nfs/dbraw/zinc/88/70/82/396887082.db2.gz ZXSLLYBGIIIOEX-CYBMUJFWSA-N 1 0 307.350 0.954 20 5 DCBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000591449937 396922604 /nfs/dbraw/zinc/92/26/04/396922604.db2.gz RTMRDGHRJSEOQL-MFKMUULPSA-N 1 0 311.363 0.886 20 5 DCBDRO CN(CCOCC[NH3+])CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000600735185 396933949 /nfs/dbraw/zinc/93/39/49/396933949.db2.gz KMGQJTANSPHLAJ-UHFFFAOYSA-N 1 0 310.354 0.465 20 5 DCBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000600807462 396945874 /nfs/dbraw/zinc/94/58/74/396945874.db2.gz DSPXEDGYSAJETQ-AWEZNQCLSA-N 1 0 307.350 0.710 20 5 DCBDRO CCc1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600809517 396947243 /nfs/dbraw/zinc/94/72/43/396947243.db2.gz ZXSLLYBGIIIOEX-ZDUSSCGKSA-N 1 0 307.350 0.954 20 5 DCBDRO C[C@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600808814 396948243 /nfs/dbraw/zinc/94/82/43/396948243.db2.gz RVPPECYJEDCHNA-FZMZJTMJSA-N 1 0 307.350 0.881 20 5 DCBDRO C[NH2+]C1(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000600825313 396952573 /nfs/dbraw/zinc/95/25/73/396952573.db2.gz RQPRBQLBXUWCAD-UHFFFAOYSA-N 1 0 320.349 0.583 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572060117 397016748 /nfs/dbraw/zinc/01/67/48/397016748.db2.gz RBSPJFQFPNTZEN-AAEUAGOBSA-N 1 0 318.333 0.287 20 5 DCBDRO Cc1c(C(=O)N(C)CCC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000591679370 396975778 /nfs/dbraw/zinc/97/57/78/396975778.db2.gz RSZHYSYSNXAMON-UHFFFAOYSA-N 1 0 318.337 0.905 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[NH2+]CCC1(F)F ZINC000591686718 396977543 /nfs/dbraw/zinc/97/75/43/396977543.db2.gz RPOLLSGDAUPHMK-SECBINFHSA-N 1 0 303.269 0.152 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H](N2CCOCC2)C1 ZINC000597708650 397071138 /nfs/dbraw/zinc/07/11/38/397071138.db2.gz ZFPUSRBBIQAGPB-JTQLQIEISA-N 1 0 309.326 0.255 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)n1 ZINC000592131406 397101449 /nfs/dbraw/zinc/10/14/49/397101449.db2.gz WJRDNQDCPQTOCH-JTQLQIEISA-N 1 0 301.297 0.817 20 5 DCBDRO O=C(CCOC1C[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000349022569 397058270 /nfs/dbraw/zinc/05/82/70/397058270.db2.gz AFOJHZCFXUZFAH-UHFFFAOYSA-N 1 0 308.338 0.501 20 5 DCBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000597855572 397123567 /nfs/dbraw/zinc/12/35/67/397123567.db2.gz SUQHMCSJQPZBMA-JTQLQIEISA-N 1 0 310.358 0.423 20 5 DCBDRO COc1cccnc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573477357 397172567 /nfs/dbraw/zinc/17/25/67/397172567.db2.gz GCVNPVRDECOBRM-NSHDSACASA-N 1 0 307.310 0.346 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475091 397185111 /nfs/dbraw/zinc/18/51/11/397185111.db2.gz NFUGBWMWWWPIPF-RISCZKNCSA-N 1 0 322.365 0.971 20 5 DCBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000573719250 397198316 /nfs/dbraw/zinc/19/83/16/397198316.db2.gz AYWONAVOJZRTQZ-UHFFFAOYSA-N 1 0 323.338 0.436 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000573719126 397198598 /nfs/dbraw/zinc/19/85/98/397198598.db2.gz UEDUILFXZOMTKR-UHFFFAOYSA-N 1 0 306.322 0.911 20 5 DCBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000592563509 397217532 /nfs/dbraw/zinc/21/75/32/397217532.db2.gz ZLXXSFSSVSQOMO-WCQYABFASA-N 1 0 306.322 0.251 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098868 397335931 /nfs/dbraw/zinc/33/59/31/397335931.db2.gz ZSYDUOUFZXTEBM-BDAKNGLRSA-N 1 0 317.371 0.219 20 5 DCBDRO NC(=O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000578618812 397460499 /nfs/dbraw/zinc/46/04/99/397460499.db2.gz SVWFSFMLQXICIC-CYBMUJFWSA-N 1 0 319.321 0.041 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000593904567 397473367 /nfs/dbraw/zinc/47/33/67/397473367.db2.gz ZLQNPRAUJAXTPO-LBPRGKRZSA-N 1 0 310.354 0.499 20 5 DCBDRO C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1CC[NH3+] ZINC000593917656 397479133 /nfs/dbraw/zinc/47/91/33/397479133.db2.gz XHJKNVFJRVINOI-DGCLKSJQSA-N 1 0 322.365 0.732 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCC1CC[NH2+]CC1 ZINC000593919464 397480740 /nfs/dbraw/zinc/48/07/40/397480740.db2.gz SJSFUSXSRMEERX-UHFFFAOYSA-N 1 0 309.370 0.996 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000602799856 397488647 /nfs/dbraw/zinc/48/86/47/397488647.db2.gz QGCWPRQTIOILRK-LBPRGKRZSA-N 1 0 307.354 0.796 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939266 397545464 /nfs/dbraw/zinc/54/54/64/397545464.db2.gz UQVDETFDWKDDJY-JQWIXIFHSA-N 1 0 308.338 0.214 20 5 DCBDRO Cc1[nH]nc(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC000604550562 397642855 /nfs/dbraw/zinc/64/28/55/397642855.db2.gz ANCQYPBEXHDUHV-UHFFFAOYSA-N 1 0 307.314 0.637 20 5 DCBDRO Cc1nn(C)c(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000609412960 397774575 /nfs/dbraw/zinc/77/45/75/397774575.db2.gz JCKLDZGZNOKUDR-JTQLQIEISA-N 1 0 307.354 0.851 20 5 DCBDRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000609881549 397795240 /nfs/dbraw/zinc/79/52/40/397795240.db2.gz WMFOESSASPDKOY-RYUDHWBXSA-N 1 0 319.365 0.954 20 5 DCBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000123691407 158232932 /nfs/dbraw/zinc/23/29/32/158232932.db2.gz ZBEQTFGLGXFGHX-LLVKDONJSA-N 1 0 310.358 0.567 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC(C)(C)[NH3+] ZINC000133260857 158316952 /nfs/dbraw/zinc/31/69/52/158316952.db2.gz MAPJXXGOTMFBBY-UHFFFAOYSA-N 1 0 303.340 0.619 20 5 DCBDRO C[NH2+]CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000261972469 158759316 /nfs/dbraw/zinc/75/93/16/158759316.db2.gz BNRKJIBOJOHHBV-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000324249442 159013098 /nfs/dbraw/zinc/01/30/98/159013098.db2.gz KBKOUSATVPCJRR-GFCCVEGCSA-N 1 0 318.333 0.760 20 5 DCBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000359270018 159258604 /nfs/dbraw/zinc/25/86/04/159258604.db2.gz DVXNZIPJZYDPPM-MRVPVSSYSA-N 1 0 305.360 0.088 20 5 DCBDRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000359281766 159261883 /nfs/dbraw/zinc/26/18/83/159261883.db2.gz IMUIFYLIGITLIE-STQMWFEESA-N 1 0 316.361 0.635 20 5 DCBDRO C[C@@H](O)C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H](C)CO ZINC000248934236 287103823 /nfs/dbraw/zinc/10/38/23/287103823.db2.gz MYWQEMXQBCABKV-NXEZZACHSA-N 1 0 311.338 0.257 20 5 DCBDRO C[C@@]1(F)C[NH2+]CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000420337543 287291486 /nfs/dbraw/zinc/29/14/86/287291486.db2.gz RAQBNWGUBLXYGX-CQSZACIVSA-N 1 0 310.329 0.827 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268055732 415153053 /nfs/dbraw/zinc/15/30/53/415153053.db2.gz SRNDQMFVAMLWOF-OAHLLOKOSA-N 1 0 320.393 0.889 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268219841 415180234 /nfs/dbraw/zinc/18/02/34/415180234.db2.gz CBVIDBLHEAHKBX-UHFFFAOYSA-N 1 0 317.367 0.786 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268189736 415172207 /nfs/dbraw/zinc/17/22/07/415172207.db2.gz MVNJQPPWAJUJEL-KWQFWETISA-N 1 0 307.354 0.849 20 5 DCBDRO O=[N+]([O-])c1cccc(OCCN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352504530 415199319 /nfs/dbraw/zinc/19/93/19/415199319.db2.gz RATSOGHOVZPOGU-HNNXBMFYSA-N 1 0 320.393 0.953 20 5 DCBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000352820526 415338250 /nfs/dbraw/zinc/33/82/50/415338250.db2.gz YXZAFDBSSAJBGB-UONOGXRCSA-N 1 0 323.349 0.923 20 5 DCBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000286792434 415636683 /nfs/dbraw/zinc/63/66/83/415636683.db2.gz SEPXGHSPKWXCIM-JTQLQIEISA-N 1 0 301.368 0.964 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000353762357 415651394 /nfs/dbraw/zinc/65/13/94/415651394.db2.gz FWDLHRPOSWQWEV-SNVBAGLBSA-N 1 0 312.322 0.865 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000121182365 415797456 /nfs/dbraw/zinc/79/74/56/415797456.db2.gz FPJBDNORXHCRKP-YPMHNXCESA-N 1 0 309.370 0.980 20 5 DCBDRO C[NH+](C)CCn1ccc(NC(=O)c2c(N)cccc2[N+](=O)[O-])n1 ZINC000354432927 415798672 /nfs/dbraw/zinc/79/86/72/415798672.db2.gz CIQLHCOVYGUMHF-UHFFFAOYSA-N 1 0 318.337 1.187 20 5 DCBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000121712885 415815405 /nfs/dbraw/zinc/81/54/05/415815405.db2.gz JJAVCCCAQDVQAF-UHFFFAOYSA-N 1 0 315.351 0.338 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H]1CC[NH2+]C1 ZINC000126667434 415876374 /nfs/dbraw/zinc/87/63/74/415876374.db2.gz JMZKAOHAFIRNAE-SNVBAGLBSA-N 1 0 307.306 0.387 20 5 DCBDRO Cc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000152667825 415967409 /nfs/dbraw/zinc/96/74/09/415967409.db2.gz AXBHIKRDHGTMTL-CQSZACIVSA-N 1 0 310.354 0.528 20 5 DCBDRO CC1(C)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000155169327 415995655 /nfs/dbraw/zinc/99/56/55/415995655.db2.gz XAIHYFXIERECIZ-UHFFFAOYSA-N 1 0 320.349 0.535 20 5 DCBDRO CO[C@@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)[N@H+](C)C1 ZINC000344510024 415934345 /nfs/dbraw/zinc/93/43/45/415934345.db2.gz KNIXUPFPQWYYMX-VHSXEESVSA-N 1 0 311.342 0.119 20 5 DCBDRO CNC(=O)CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171759097 416041296 /nfs/dbraw/zinc/04/12/96/416041296.db2.gz UPPQVTPJIPKSTC-ZDUSSCGKSA-N 1 0 320.349 0.768 20 5 DCBDRO COCCC[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301170330 416076706 /nfs/dbraw/zinc/07/67/06/416076706.db2.gz WVBWNGTWHWVUFF-UHFFFAOYSA-N 1 0 310.358 0.880 20 5 DCBDRO C[N@@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000298523876 416013588 /nfs/dbraw/zinc/01/35/88/416013588.db2.gz VINSZRSEFFSKDX-JTQLQIEISA-N 1 0 308.338 0.730 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+](C)C ZINC000357598459 416103740 /nfs/dbraw/zinc/10/37/40/416103740.db2.gz VFPXNIUAWFXHIS-SNVBAGLBSA-N 1 0 308.338 0.908 20 5 DCBDRO COC[C@@H](O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338778044 416137521 /nfs/dbraw/zinc/13/75/21/416137521.db2.gz OOSMEAOLDNPKJN-MFKMUULPSA-N 1 0 311.338 0.909 20 5 DCBDRO COC[C@H](O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338778045 416137769 /nfs/dbraw/zinc/13/77/69/416137769.db2.gz OOSMEAOLDNPKJN-ZWNOBZJWSA-N 1 0 311.338 0.909 20 5 DCBDRO CCCc1n[nH]c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358046982 416177019 /nfs/dbraw/zinc/17/70/19/416177019.db2.gz LFIIZOQNLSPIAR-CYBMUJFWSA-N 1 0 311.342 0.067 20 5 DCBDRO C[C@@H]1C[N@H+](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662387 416225607 /nfs/dbraw/zinc/22/56/07/416225607.db2.gz DHJVDCBGBWIHCE-OCCSQVGLSA-N 1 0 309.366 0.970 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000330690997 416230793 /nfs/dbraw/zinc/23/07/93/416230793.db2.gz GFEPDYMUPGGBLW-SNVBAGLBSA-N 1 0 311.342 0.039 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345859310 416160003 /nfs/dbraw/zinc/16/00/03/416160003.db2.gz SCURFTQCNSHRFO-GFCCVEGCSA-N 1 0 323.397 0.689 20 5 DCBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1c([N+](=O)[O-])ncn1C ZINC000331296704 416304924 /nfs/dbraw/zinc/30/49/24/416304924.db2.gz OAQGKSDTAUXSDJ-LLVKDONJSA-N 1 0 311.386 0.605 20 5 DCBDRO C[N@H+](CCO)C1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342226476 416297695 /nfs/dbraw/zinc/29/76/95/416297695.db2.gz OULMNIAGUBBNEF-UHFFFAOYSA-N 1 0 322.365 0.587 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415437044 416343513 /nfs/dbraw/zinc/34/35/13/416343513.db2.gz KGPPYMHRYWPMJE-JTQLQIEISA-N 1 0 324.337 0.641 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415567052 416347758 /nfs/dbraw/zinc/34/77/58/416347758.db2.gz PXWDZANDZWPFMK-ZJUUUORDSA-N 1 0 306.322 0.742 20 5 DCBDRO Cc1c(C(=O)NC[C@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000194849636 416324985 /nfs/dbraw/zinc/32/49/85/416324985.db2.gz VOHHXWSIWCWWRN-QMMMGPOBSA-N 1 0 304.310 0.561 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237929959 416329369 /nfs/dbraw/zinc/32/93/69/416329369.db2.gz YYPYRVMJTPVUII-SNVBAGLBSA-N 1 0 301.306 0.954 20 5 DCBDRO CNc1nccc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000582190032 416448668 /nfs/dbraw/zinc/44/86/68/416448668.db2.gz IFWGGBBQAQNSLP-JTQLQIEISA-N 1 0 319.365 1.246 20 5 DCBDRO O=C(c1cccc([N+](=O)[O-])c1N1CCOCC1)N1CC[NH2+]CC1 ZINC000591902393 416536649 /nfs/dbraw/zinc/53/66/49/416536649.db2.gz LKENAAKRGZHUHL-UHFFFAOYSA-N 1 0 320.349 0.477 20 5 DCBDRO CNc1nccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000594291041 416557971 /nfs/dbraw/zinc/55/79/71/416557971.db2.gz IKJQQTARMPYZPJ-SNVBAGLBSA-N 1 0 321.381 1.492 20 5 DCBDRO CNc1nccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000594370432 416559721 /nfs/dbraw/zinc/55/97/21/416559721.db2.gz LXMRAKSIZKKBDD-GXSJLCMTSA-N 1 0 305.338 0.808 20 5 DCBDRO COC1CC[NH+](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000594316801 416560731 /nfs/dbraw/zinc/56/07/31/416560731.db2.gz TVJNNLQRPFBPAI-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO CNc1nccc(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000584359493 416513580 /nfs/dbraw/zinc/51/35/80/416513580.db2.gz DTIHNWZZNWMTFZ-UWVGGRQHSA-N 1 0 319.365 1.387 20 5 DCBDRO CN(CC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000424026127 416606725 /nfs/dbraw/zinc/60/67/25/416606725.db2.gz TXNKZGXZXZJULX-LBPRGKRZSA-N 1 0 322.365 0.607 20 5 DCBDRO Cc1c(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423808300 416569631 /nfs/dbraw/zinc/56/96/31/416569631.db2.gz KQBJNJUXGKJIRT-LBPRGKRZSA-N 1 0 320.349 0.388 20 5 DCBDRO C[C@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440806019 416649780 /nfs/dbraw/zinc/64/97/80/416649780.db2.gz GWFJHWKOQYAINH-YUMQZZPRSA-N 1 0 305.381 0.933 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000445548775 416892500 /nfs/dbraw/zinc/89/25/00/416892500.db2.gz MBIYIRLWFHWGGK-BDAKNGLRSA-N 1 0 317.371 0.359 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCN(C3CCCC3)C2)c1 ZINC000520396787 416959636 /nfs/dbraw/zinc/95/96/36/416959636.db2.gz LYHKYILAXJRTMN-SWLSCSKDSA-N 1 0 323.397 0.759 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000429321619 416964094 /nfs/dbraw/zinc/96/40/94/416964094.db2.gz YMHCHDDASMRGSE-QMMMGPOBSA-N 1 0 315.351 0.418 20 5 DCBDRO CC(C)[NH2+]C1(CO)CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000565160619 416930283 /nfs/dbraw/zinc/93/02/83/416930283.db2.gz CMTKUDWUAVRYEH-UHFFFAOYSA-N 1 0 311.386 0.653 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430588270 417046684 /nfs/dbraw/zinc/04/66/84/417046684.db2.gz CRVCJIBQGNPXTK-ZDUSSCGKSA-N 1 0 304.350 0.907 20 5 DCBDRO [NH3+]C[C@H]1CCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430588269 417048257 /nfs/dbraw/zinc/04/82/57/417048257.db2.gz CRVCJIBQGNPXTK-CYBMUJFWSA-N 1 0 304.350 0.907 20 5 DCBDRO [NH3+]C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920814 417078355 /nfs/dbraw/zinc/07/83/55/417078355.db2.gz WMVKHRUTKYZERV-FZMZJTMJSA-N 1 0 304.350 0.981 20 5 DCBDRO CN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000569104278 417212918 /nfs/dbraw/zinc/21/29/18/417212918.db2.gz BYDKGTBLGMRPGU-LBPRGKRZSA-N 1 0 322.365 0.465 20 5 DCBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451505823 417354773 /nfs/dbraw/zinc/35/47/73/417354773.db2.gz UUPLAWPUGCBYEX-GWNIPJSYSA-N 1 0 312.370 0.801 20 5 DCBDRO Cn1cc(CN(CC[NH3+])CCO)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414913977 417313185 /nfs/dbraw/zinc/31/31/85/417313185.db2.gz NNCNFFYQXTXWRF-UHFFFAOYSA-N 1 0 319.365 0.748 20 5 DCBDRO Nc1c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452373195 417476195 /nfs/dbraw/zinc/47/61/95/417476195.db2.gz VNHBLEIWJZMNHQ-LLVKDONJSA-N 1 0 322.365 0.754 20 5 DCBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000576053077 417576084 /nfs/dbraw/zinc/57/60/84/417576084.db2.gz AZGLCZZRCKRQFG-LERXQTSPSA-N 1 0 304.350 0.900 20 5 DCBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000457081301 417685890 /nfs/dbraw/zinc/68/58/90/417685890.db2.gz VHWLYSRNHUZLMQ-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299922647 229464956 /nfs/dbraw/zinc/46/49/56/229464956.db2.gz TZEKKJPOONSRRS-GXFFZTMASA-N 1 0 311.363 0.967 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])nn3C)[C@@H]2C1 ZINC000355317041 261330610 /nfs/dbraw/zinc/33/06/10/261330610.db2.gz KFTXCWBLBXEFOP-VXGBXAGGSA-N 1 0 323.353 0.264 20 5 DCBDRO CCOCC[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@@H]1C ZINC000355941077 261377963 /nfs/dbraw/zinc/37/79/63/261377963.db2.gz YTQHDJHLXZWKJC-LBPRGKRZSA-N 1 0 311.386 0.871 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCOCC1 ZINC000356151066 261396437 /nfs/dbraw/zinc/39/64/37/261396437.db2.gz JRXOGTOVONRIQS-UHFFFAOYSA-N 1 0 311.342 0.171 20 5 DCBDRO COc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000390087784 262160113 /nfs/dbraw/zinc/16/01/13/262160113.db2.gz UUWXWANMVWOFSS-NSHDSACASA-N 1 0 309.322 0.712 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000394075949 262162081 /nfs/dbraw/zinc/16/20/81/262162081.db2.gz PNDOTGVFKRCYAA-LBPRGKRZSA-N 1 0 312.757 0.882 20 5 DCBDRO CNC(=O)c1ccc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000394822518 262162621 /nfs/dbraw/zinc/16/26/21/262162621.db2.gz UZISLONADIJVJF-LLVKDONJSA-N 1 0 307.354 0.270 20 5 DCBDRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1[N+](=O)[O-] ZINC000417989511 262267315 /nfs/dbraw/zinc/26/73/15/262267315.db2.gz SWHJNXGCOYLZPR-VXGBXAGGSA-N 1 0 321.381 0.859 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418774185 262288738 /nfs/dbraw/zinc/28/87/38/262288738.db2.gz CXPNUQTXAYGWTE-QWRGUYRKSA-N 1 0 320.349 0.592 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000418776747 262289226 /nfs/dbraw/zinc/28/92/26/262289226.db2.gz GPVQDJMTDDFGBO-ZYHUDNBSSA-N 1 0 320.349 0.592 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000418777973 262289349 /nfs/dbraw/zinc/28/93/49/262289349.db2.gz IBIYPCNJPGQRLV-JTQLQIEISA-N 1 0 306.322 0.204 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418870467 262294334 /nfs/dbraw/zinc/29/43/34/262294334.db2.gz PKGLJOUQBJJVOY-CYBMUJFWSA-N 1 0 320.349 0.203 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420141517 262363327 /nfs/dbraw/zinc/36/33/27/262363327.db2.gz JHHIXEABFJCSLD-SNVBAGLBSA-N 1 0 320.349 0.204 20 5 DCBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1c1ccc([N+](=O)[O-])nc1 ZINC000420250359 262367963 /nfs/dbraw/zinc/36/79/63/262367963.db2.gz SVMZNEUHKNVYQB-LLVKDONJSA-N 1 0 307.354 0.814 20 5 DCBDRO CN(CC[NH3+])C(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000424012346 262477198 /nfs/dbraw/zinc/47/71/98/262477198.db2.gz SVJYTNZBVQOHJO-UHFFFAOYSA-N 1 0 322.321 0.700 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429325404 262600164 /nfs/dbraw/zinc/60/01/64/262600164.db2.gz FVKLNLADFQXOGM-JTQLQIEISA-N 1 0 323.353 0.200 20 5 DCBDRO C[C@@H]1COCCN1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420581951 271373108 /nfs/dbraw/zinc/37/31/08/271373108.db2.gz HUEFKGXZULVFDQ-SNVBAGLBSA-N 1 0 308.338 0.826 20 5 DCBDRO COC(=O)C[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422932124 271393351 /nfs/dbraw/zinc/39/33/51/271393351.db2.gz DPPICFQOFZHYNK-NSHDSACASA-N 1 0 310.310 0.013 20 5 DCBDRO CN(CC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1[N+](=O)[O-] ZINC000449702843 271861094 /nfs/dbraw/zinc/86/10/94/271861094.db2.gz VKQJIAMQLQIWRG-LBPRGKRZSA-N 1 0 321.381 0.051 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(C[NH+]2CCOCC2)CC1 ZINC000548082450 288109848 /nfs/dbraw/zinc/10/98/48/288109848.db2.gz BDTGCCSNSRHRKX-UHFFFAOYSA-N 1 0 323.353 0.502 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000564227828 288732720 /nfs/dbraw/zinc/73/27/20/288732720.db2.gz ROLSMLLLOLKTBE-GHMZBOCLSA-N 1 0 305.338 0.355 20 5 DCBDRO [NH3+]C[C@@H]1CCCCN1S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000095072460 295246147 /nfs/dbraw/zinc/24/61/47/295246147.db2.gz AHSOMVRCVXVHJC-VIFPVBQESA-N 1 0 300.340 0.492 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000160218493 295269578 /nfs/dbraw/zinc/26/95/78/295269578.db2.gz PPHYZZDMIWYNOP-LLVKDONJSA-N 1 0 321.333 0.858 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000183460633 333185159 /nfs/dbraw/zinc/18/51/59/333185159.db2.gz NWRMXVXYPCRQRO-UHFFFAOYSA-N 1 0 311.342 0.270 20 5 DCBDRO CO[C@@H]1COC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582664107 337117755 /nfs/dbraw/zinc/11/77/55/337117755.db2.gz ZTFXMVYIYXJUGV-IACUBPJLSA-N 1 0 312.322 0.338 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC001578652307 1159266825 /nfs/dbraw/zinc/26/68/25/1159266825.db2.gz HAWFKIZJHJDZIG-SNVBAGLBSA-N 1 0 317.367 0.104 20 5 DCBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000584470595 337345145 /nfs/dbraw/zinc/34/51/45/337345145.db2.gz VDAXMWIHVKDVHJ-CQSZACIVSA-N 1 0 310.354 0.636 20 5 DCBDRO CN(C1(C[NH3+])CCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577952543 341957468 /nfs/dbraw/zinc/95/74/68/341957468.db2.gz OQLKNMMNGYFCKN-UHFFFAOYSA-N 1 0 300.340 0.492 20 5 DCBDRO Cc1nc(N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000294888419 534443940 /nfs/dbraw/zinc/44/39/40/534443940.db2.gz GCKZRWHXYCUVSW-JTQLQIEISA-N 1 0 309.370 0.975 20 5 DCBDRO C[NH2+]CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237199673 521959496 /nfs/dbraw/zinc/95/94/96/521959496.db2.gz CIDINYLOJAPDHI-UHFFFAOYSA-N 1 0 306.322 0.099 20 5 DCBDRO C[NH2+]CCNC(=O)c1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237103199 522011405 /nfs/dbraw/zinc/01/14/05/522011405.db2.gz ABNRAZJIHGCYHB-UHFFFAOYSA-N 1 0 303.322 0.945 20 5 DCBDRO COc1cc(OCC(=O)N2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237225672 522888357 /nfs/dbraw/zinc/88/83/57/522888357.db2.gz IBBWPQVDAVOVHE-JTQLQIEISA-N 1 0 309.322 0.932 20 5 DCBDRO COc1cc(OCC(=O)N[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000237226631 522892012 /nfs/dbraw/zinc/89/20/12/522892012.db2.gz TXTJDYUZNMGDDX-SNVBAGLBSA-N 1 0 309.322 0.850 20 5 DCBDRO C[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000249127885 524505710 /nfs/dbraw/zinc/50/57/10/524505710.db2.gz XPLYIQFYZIYRBJ-ZYHUDNBSSA-N 1 0 300.384 0.980 20 5 DCBDRO O=C(CC[NH+](CCO)CCO)Nc1cc([N+](=O)[O-])ccc1F ZINC000128504215 526474088 /nfs/dbraw/zinc/47/40/88/526474088.db2.gz LWWJDYKMIREZLC-UHFFFAOYSA-N 1 0 315.301 0.349 20 5 DCBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000120132715 526896592 /nfs/dbraw/zinc/89/65/92/526896592.db2.gz ZJFZWDQQZUHFFY-LLVKDONJSA-N 1 0 316.321 0.657 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000266900109 527416439 /nfs/dbraw/zinc/41/64/39/527416439.db2.gz GIWUYIDPHPDPNI-WCQYABFASA-N 1 0 320.353 0.755 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415652725 528399040 /nfs/dbraw/zinc/39/90/40/528399040.db2.gz DZJXXYWRKPZFOY-MRVPVSSYSA-N 1 0 312.301 0.787 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH2+]C ZINC000415303695 528613984 /nfs/dbraw/zinc/61/39/84/528613984.db2.gz FRRFTHUPXSNCMO-UHFFFAOYSA-N 1 0 324.337 0.658 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425047946 536487804 /nfs/dbraw/zinc/48/78/04/536487804.db2.gz ASWANZVOGPYPKT-NWDGAFQWSA-N 1 0 320.349 0.309 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821622027 606707088 /nfs/dbraw/zinc/70/70/88/606707088.db2.gz PGJUTIHHUUQVSU-QMMMGPOBSA-N 1 0 304.314 0.534 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000888996994 658140508 /nfs/dbraw/zinc/14/05/08/658140508.db2.gz OSBLNWDYTSRDNI-UHFFFAOYSA-N 1 0 309.370 0.253 20 5 DCBDRO Cc1noc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC000934271280 658264862 /nfs/dbraw/zinc/26/48/62/658264862.db2.gz GFEPIFBPIWPTSO-RYUDHWBXSA-N 1 0 310.354 0.922 20 5 DCBDRO CCc1n[nH]c(C(=O)N2CCN(C)CCN(C)CC2)c1[N+](=O)[O-] ZINC000888992248 659519877 /nfs/dbraw/zinc/51/98/77/659519877.db2.gz CPQYQLDJMAQYFU-UHFFFAOYSA-N 1 0 324.385 0.200 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCC(F)(F)F)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775981 659556957 /nfs/dbraw/zinc/55/69/57/659556957.db2.gz SLWRVMVZWAIRBE-SPFKKGSWSA-N 1 0 307.272 0.650 20 5 DCBDRO CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000940107660 665701520 /nfs/dbraw/zinc/70/15/20/665701520.db2.gz MRCATEZMJFBHQU-VXGBXAGGSA-N 1 0 308.338 0.811 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000261649915 661347481 /nfs/dbraw/zinc/34/74/81/661347481.db2.gz DYOOQFQYMCIEOI-VHSXEESVSA-N 1 0 324.337 0.517 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000894134252 661566322 /nfs/dbraw/zinc/56/63/22/661566322.db2.gz NODAODZMFOOBJV-UHFFFAOYSA-N 1 0 309.370 0.659 20 5 DCBDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158651200 661605967 /nfs/dbraw/zinc/60/59/67/661605967.db2.gz URWRVOWVHUUOJQ-JOYOIKCWSA-N 1 0 302.352 0.651 20 5 DCBDRO Cn1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC000983649146 661996899 /nfs/dbraw/zinc/99/68/99/661996899.db2.gz ONLJVAAWAZOYEF-OJAKKHQRSA-N 1 0 307.354 0.070 20 5 DCBDRO Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)co1 ZINC000983655729 662001058 /nfs/dbraw/zinc/00/10/58/662001058.db2.gz UYRDUTHOPJUPGB-FPQZTECRSA-N 1 0 308.338 0.633 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCOCC1 ZINC001029304663 662097976 /nfs/dbraw/zinc/09/79/76/662097976.db2.gz FNZVLOLZZYKPTJ-LXTVHRRPSA-N 1 0 323.393 0.753 20 5 DCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895798984 662218204 /nfs/dbraw/zinc/21/82/04/662218204.db2.gz NLCGIPIEUQGTHG-CQSZACIVSA-N 1 0 305.334 0.932 20 5 DCBDRO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896539480 662284507 /nfs/dbraw/zinc/28/45/07/662284507.db2.gz PCNIIYVTFVROCO-VXGBXAGGSA-N 1 0 300.403 0.572 20 5 DCBDRO O=C(NCC1=CC[N@H+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000672526 665914330 /nfs/dbraw/zinc/91/43/30/665914330.db2.gz XYNUOXKLXDOIEN-HUUCEWRRSA-N 1 0 316.361 0.995 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(Cc3ccoc3)C2)c1 ZINC000899916808 663200447 /nfs/dbraw/zinc/20/04/47/663200447.db2.gz PSHFWHZYOOHJLL-AWEZNQCLSA-N 1 0 306.322 0.920 20 5 DCBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000900804465 663281853 /nfs/dbraw/zinc/28/18/53/663281853.db2.gz MWYCTIKINDYQGF-SWLSCSKDSA-N 1 0 320.393 0.888 20 5 DCBDRO Cc1nn(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c(C)c1[N+](=O)[O-] ZINC000902645771 663425592 /nfs/dbraw/zinc/42/55/92/663425592.db2.gz YGWKIYSEGOOQDL-ZIAGYGMSSA-N 1 0 323.397 0.897 20 5 DCBDRO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285306 663451000 /nfs/dbraw/zinc/45/10/00/663451000.db2.gz IRTAEYJUVVYHFS-DOMZBBRYSA-N 1 0 309.366 0.939 20 5 DCBDRO CN1CC[C@@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905547084 663563021 /nfs/dbraw/zinc/56/30/21/663563021.db2.gz SGWVNRZKAJZOLZ-GFCCVEGCSA-N 1 0 313.379 0.662 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1F ZINC000908203283 663743129 /nfs/dbraw/zinc/74/31/29/663743129.db2.gz MHQQDXBWHFTEGS-SNVBAGLBSA-N 1 0 311.313 0.920 20 5 DCBDRO C[C@@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]1 ZINC000911811387 664112037 /nfs/dbraw/zinc/11/20/37/664112037.db2.gz ONKADPGKVBHESA-YGRLFVJLSA-N 1 0 318.333 0.908 20 5 DCBDRO C[C@H]1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]1 ZINC000911811380 664112049 /nfs/dbraw/zinc/11/20/49/664112049.db2.gz ONKADPGKVBHESA-HZMBPMFUSA-N 1 0 318.333 0.908 20 5 DCBDRO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)ncn1 ZINC000996429185 666790660 /nfs/dbraw/zinc/79/06/60/666790660.db2.gz LHTPHIVFKJJOBE-ZIAGYGMSSA-N 1 0 319.365 0.531 20 5 DCBDRO NC(=O)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001034718669 667123528 /nfs/dbraw/zinc/12/35/28/667123528.db2.gz JKFGDQXPOCXWTM-HAQNSBGRSA-N 1 0 320.349 0.597 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000863326836 667130457 /nfs/dbraw/zinc/13/04/57/667130457.db2.gz SWFYOYDJMBNQKB-GFCCVEGCSA-N 1 0 324.293 0.299 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866215211 667368605 /nfs/dbraw/zinc/36/86/05/667368605.db2.gz WFYFLXIKXDZLBT-UHFFFAOYSA-N 1 0 308.386 0.545 20 5 DCBDRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743261040 667805494 /nfs/dbraw/zinc/80/54/94/667805494.db2.gz OWVIERKZWWJWDD-LSDHHAIUSA-N 1 0 320.349 0.784 20 5 DCBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000747887470 667914734 /nfs/dbraw/zinc/91/47/34/667914734.db2.gz AGGYEWOABFKINM-NSHDSACASA-N 1 0 310.354 0.459 20 5 DCBDRO C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839772265 668141073 /nfs/dbraw/zinc/14/10/73/668141073.db2.gz AZCKJGQTSORYNA-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877279141 668590251 /nfs/dbraw/zinc/59/02/51/668590251.db2.gz BPNLPOHFNMAJLS-VXGBXAGGSA-N 1 0 307.354 0.843 20 5 DCBDRO CC(C)(C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)n1cc([N+](=O)[O-])cn1 ZINC000877375667 668611763 /nfs/dbraw/zinc/61/17/63/668611763.db2.gz BZAFVIHLUSXQBE-IINYFYTJSA-N 1 0 307.354 0.594 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535620 669059546 /nfs/dbraw/zinc/05/95/46/669059546.db2.gz PYFDHQQHPLFXEC-TXEJJXNPSA-N 1 0 319.317 0.650 20 5 DCBDRO C[NH+](C)C[C@@H](O)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000782948068 669133323 /nfs/dbraw/zinc/13/33/23/669133323.db2.gz NMQSJXOIZOFCIV-ZETCQYMHSA-N 1 0 323.396 0.394 20 5 DCBDRO O=C(OCCn1cnc([N+](=O)[O-])n1)C1CC[NH+](C2CC2)CC1 ZINC000805891948 669498333 /nfs/dbraw/zinc/49/83/33/669498333.db2.gz HUTKKFKDDTUPFU-UHFFFAOYSA-N 1 0 309.326 0.604 20 5 DCBDRO Cn1nccc1[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000933535486 669501290 /nfs/dbraw/zinc/50/12/90/669501290.db2.gz QVTWBAYBBXBOHN-ZDUSSCGKSA-N 1 0 306.326 0.598 20 5 DCBDRO Cn1cc(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])n1 ZINC000934277057 669590650 /nfs/dbraw/zinc/59/06/50/669590650.db2.gz YEUZKZKGOQKBGN-QWHCGFSZSA-N 1 0 309.370 0.359 20 5 DCBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000798143655 669987162 /nfs/dbraw/zinc/98/71/62/669987162.db2.gz DJBDTBQEXMPYIP-LBPRGKRZSA-N 1 0 324.381 1.000 20 5 DCBDRO CCC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC000949095347 670258221 /nfs/dbraw/zinc/25/82/21/670258221.db2.gz IJGRICNBGSMCBR-CHWSQXEVSA-N 1 0 311.382 0.755 20 5 DCBDRO NC(=O)[C@@H]1C[N@H+](Cn2nccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000840178344 670452791 /nfs/dbraw/zinc/45/27/91/670452791.db2.gz RNMUMGNOKGJVBN-QWHCGFSZSA-N 1 0 315.333 0.950 20 5 DCBDRO Cc1cc(F)cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000854015566 670516005 /nfs/dbraw/zinc/51/60/05/670516005.db2.gz MTNUFEIPPMUTCW-UHFFFAOYSA-N 1 0 309.297 0.857 20 5 DCBDRO Nc1nccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000847406549 670549097 /nfs/dbraw/zinc/54/90/97/670549097.db2.gz DBBZXTZVXQRVLL-VHSXEESVSA-N 1 0 321.337 0.165 20 5 DCBDRO C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000856411809 670816141 /nfs/dbraw/zinc/81/61/41/670816141.db2.gz ANDDKSOGBHZFEK-JHJVBQTASA-N 1 0 311.382 0.753 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000858642662 671026303 /nfs/dbraw/zinc/02/63/03/671026303.db2.gz OYUMHNKXRSHZKG-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000858642661 671026418 /nfs/dbraw/zinc/02/64/18/671026418.db2.gz OYUMHNKXRSHZKG-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000818557308 671030548 /nfs/dbraw/zinc/03/05/48/671030548.db2.gz SKFGOWPHMGARNR-LLVKDONJSA-N 1 0 303.322 0.765 20 5 DCBDRO C[C@H](O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819129834 671097730 /nfs/dbraw/zinc/09/77/30/671097730.db2.gz BXUXFQNBLGZDSW-NHYWBVRUSA-N 1 0 320.349 0.995 20 5 DCBDRO NS(=O)(=O)CCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819332880 671112646 /nfs/dbraw/zinc/11/26/46/671112646.db2.gz YFFJSRMKQDBZFD-GFCCVEGCSA-N 1 0 317.367 0.287 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCc3nnnn3CC2)cc1 ZINC000819372394 671114856 /nfs/dbraw/zinc/11/48/56/671114856.db2.gz BAFXWOCESWTUNF-WCQYABFASA-N 1 0 318.337 0.609 20 5 DCBDRO CC(C)(CCC(=O)N[C@H](CO)C[NH+]1CCCCC1)[N+](=O)[O-] ZINC000840454242 671267622 /nfs/dbraw/zinc/26/76/22/671267622.db2.gz XHYFOJUVTWVPAQ-LBPRGKRZSA-N 1 0 301.387 0.785 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000827330236 671523214 /nfs/dbraw/zinc/52/32/14/671523214.db2.gz KYPDUMKZRPHCJI-YPMHNXCESA-N 1 0 307.354 0.734 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827528034 671530806 /nfs/dbraw/zinc/53/08/06/671530806.db2.gz FSGJSMXKYAXTHU-ILXRZTDVSA-N 1 0 319.361 0.881 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834820778 671782630 /nfs/dbraw/zinc/78/26/30/671782630.db2.gz CPUWYGJIQNVXDA-QWRGUYRKSA-N 1 0 322.365 0.897 20 5 DCBDRO Cc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000842508695 672015273 /nfs/dbraw/zinc/01/52/73/672015273.db2.gz CYBNAYUCGOVGTI-JTQLQIEISA-N 1 0 308.338 0.675 20 5 DCBDRO Cn1nccc1[C@@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843106527 672062575 /nfs/dbraw/zinc/06/25/75/672062575.db2.gz BFLNNPAHYAQLNJ-TZMCWYRMSA-N 1 0 306.322 0.685 20 5 DCBDRO CCn1cc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001020139860 693710618 /nfs/dbraw/zinc/71/06/18/693710618.db2.gz PIHTYLDQOPAZTL-AAVRWANBSA-N 1 0 321.381 0.348 20 5 DCBDRO Cc1n[nH]c(C(=O)N(CCO)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001570862692 1162637368 /nfs/dbraw/zinc/63/73/68/1162637368.db2.gz COGNRCDQJQFGRJ-UHFFFAOYSA-N 1 0 311.342 0.155 20 5 DCBDRO O=C(NCC1C[NH+](CCOCC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001692304572 1157783586 /nfs/dbraw/zinc/78/35/86/1157783586.db2.gz SAFUOMBUPQQWBP-ZIAGYGMSSA-N 1 0 311.382 0.516 20 5 DCBDRO Cc1nnc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)o1 ZINC001126658948 1158241464 /nfs/dbraw/zinc/24/14/64/1158241464.db2.gz YMGCWKFFWIETRF-UHFFFAOYSA-N 1 0 319.321 0.735 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC001543079644 1159817009 /nfs/dbraw/zinc/81/70/09/1159817009.db2.gz PDSBJKSUNWGNOH-NSHDSACASA-N 1 0 324.385 0.177 20 5 DCBDRO COc1ccc(C(=O)CNC(=O)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001574024249 1163625839 /nfs/dbraw/zinc/62/58/39/1163625839.db2.gz WEAOONXMZVDFBQ-SNVBAGLBSA-N 1 0 307.306 0.512 20 5 DCBDRO C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1C[NH2+]CCO1 ZINC001576251517 1164280362 /nfs/dbraw/zinc/28/03/62/1164280362.db2.gz MFFWIKNTXZPMNE-TVQRCGJNSA-N 1 0 305.338 0.938 20 5 DCBDRO CCC[NH2+]CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001577556757 1164723517 /nfs/dbraw/zinc/72/35/17/1164723517.db2.gz HGCXYDDXBNSUGY-UHFFFAOYSA-N 1 0 308.338 0.440 20 5 DCBDRO COc1c(C(=O)NC[C@]2(C)C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC001579134843 1165219130 /nfs/dbraw/zinc/21/91/30/1165219130.db2.gz LXOTXNWJBATWED-AWEZNQCLSA-N 1 0 309.322 0.712 20 5 DCBDRO CS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001579348488 1165282055 /nfs/dbraw/zinc/28/20/55/1165282055.db2.gz DIJJHSAEUFNIAR-VIFPVBQESA-N 1 0 313.335 0.090 20 5 DCBDRO C[C@H](NS(=O)(=O)N1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001579485632 1165329135 /nfs/dbraw/zinc/32/91/35/1165329135.db2.gz BXRZXQDCHMYRKZ-JTQLQIEISA-N 1 0 314.367 0.395 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCCN2CCC([NH3+])CC2)n1 ZINC001579642349 1165369352 /nfs/dbraw/zinc/36/93/52/1165369352.db2.gz BEGQDLDIKXTJOF-UHFFFAOYSA-N 1 0 307.354 0.451 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001579642434 1165370601 /nfs/dbraw/zinc/37/06/01/1165370601.db2.gz FSJHBSDXLYFSHX-AWEZNQCLSA-N 1 0 304.306 0.512 20 5 DCBDRO NC(=O)c1cc(N2CC[C@]3(C2)C[NH2+]CCO3)ccc1[N+](=O)[O-] ZINC001580101212 1165502723 /nfs/dbraw/zinc/50/27/23/1165502723.db2.gz NQXXBVDBGSMTJU-CQSZACIVSA-N 1 0 306.322 0.262 20 5 DCBDRO [NH3+][C@]1(CO)CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001580155268 1165521951 /nfs/dbraw/zinc/52/19/51/1165521951.db2.gz SRPLSHAOFGBXCM-OAHLLOKOSA-N 1 0 307.350 0.840 20 5 DCBDRO O=C(NC[C@@H]1CC[NH2+]1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001580662058 1165678436 /nfs/dbraw/zinc/67/84/36/1165678436.db2.gz ZXPDAPQXWDDUAY-VIFPVBQESA-N 1 0 311.363 0.771 20 5 DCBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC12C[NH2+]C2 ZINC001580812266 1165723384 /nfs/dbraw/zinc/72/33/84/1165723384.db2.gz UBYRAYJAXNVAPJ-UHFFFAOYSA-N 1 0 305.290 0.554 20 5 DCBDRO O=C1C[C@H](Nc2ncc([N+](=O)[O-])cc2Cl)CN1C1C[NH2+]C1 ZINC001580837810 1165730903 /nfs/dbraw/zinc/73/09/03/1165730903.db2.gz IXAUDKUEDYBPCT-ZETCQYMHSA-N 1 0 311.729 0.628 20 5 DCBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001580876009 1165748908 /nfs/dbraw/zinc/74/89/08/1165748908.db2.gz WJTLCBCVTRTFIF-CABZTGNLSA-N 1 0 312.351 0.410 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589821447 1166693402 /nfs/dbraw/zinc/69/34/02/1166693402.db2.gz RVAPXAFYBCCUEJ-MRVPVSSYSA-N 1 0 306.330 0.922 20 5 DCBDRO C[C@H](CCO)[N@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589835576 1166695624 /nfs/dbraw/zinc/69/56/24/1166695624.db2.gz WZXFWXKNUSIVAV-SECBINFHSA-N 1 0 306.326 0.978 20 5 DCBDRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001590310369 1166857597 /nfs/dbraw/zinc/85/75/97/1166857597.db2.gz VPWCGIHGEFWLMG-UFBFGSQYSA-N 1 0 304.310 0.588 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001604855444 1169710486 /nfs/dbraw/zinc/71/04/86/1169710486.db2.gz HVVKXJWNFWYXLK-CYBMUJFWSA-N 1 0 319.325 0.253 20 5 DCBDRO CC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001609228187 1170883386 /nfs/dbraw/zinc/88/33/86/1170883386.db2.gz FNPIEMDKYOUTOR-UHFFFAOYSA-N 1 0 317.353 0.912 20 5 DCBDRO C[C@@](CO)([NH2+]CCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC001620495164 1171404053 /nfs/dbraw/zinc/40/40/53/1171404053.db2.gz HOLWLVBBRQTTFC-AWEZNQCLSA-N 1 0 308.338 0.417 20 5 DCBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001629540940 1171552452 /nfs/dbraw/zinc/55/24/52/1171552452.db2.gz ATSZIMNBFNQHFY-GFCCVEGCSA-N 1 0 322.365 0.605 20 5 DCBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+](C)C ZINC001634162676 1171664919 /nfs/dbraw/zinc/66/49/19/1171664919.db2.gz UOKDJSXQRRPCNN-SNVBAGLBSA-N 1 0 311.342 0.269 20 5 DCBDRO C[N@H+](CCNc1c(Cl)cncc1[N+](=O)[O-])CCOCCO ZINC001640319907 1171876282 /nfs/dbraw/zinc/87/62/82/1171876282.db2.gz DMHFTGXKFDNGEC-UHFFFAOYSA-N 1 0 318.761 0.418 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001641732759 1171927176 /nfs/dbraw/zinc/92/71/76/1171927176.db2.gz YDIRJICHXYJLJQ-UHFFFAOYSA-N 1 0 322.365 0.706 20 5 DCBDRO COC[C@]1(CO)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116753 1171966503 /nfs/dbraw/zinc/96/65/03/1171966503.db2.gz CJIDQPORJCNLBI-HUUCEWRRSA-N 1 0 310.350 0.959 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])[C@@H]2C1 ZINC001648175537 1173068671 /nfs/dbraw/zinc/06/86/71/1173068671.db2.gz UGGRIQGSNOMBNA-GDPRMGEGSA-N 1 0 305.338 0.642 20 5 DCBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CN(C)CCN1C ZINC001653131264 1173781537 /nfs/dbraw/zinc/78/15/37/1173781537.db2.gz HTTXUXRMVGNYHH-LFUGVXIPSA-N 1 0 322.413 0.719 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC001654517601 1173806550 /nfs/dbraw/zinc/80/65/50/1173806550.db2.gz LEQZEKKWFAMXED-KBUPBQIOSA-N 1 0 324.381 0.778 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCCn3nccc32)c1 ZINC001654611000 1173808362 /nfs/dbraw/zinc/80/83/62/1173808362.db2.gz RVEFOXSLCCHJJE-RYUDHWBXSA-N 1 0 306.326 0.473 20 5 DCBDRO CC(C)(O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001655349605 1173818772 /nfs/dbraw/zinc/81/87/72/1173818772.db2.gz MTXXKDKNFSHTSV-ZDUSSCGKSA-N 1 0 312.370 0.635 20 5 DCBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC001658943457 1173928931 /nfs/dbraw/zinc/92/89/31/1173928931.db2.gz XJTMTAPXJONVGY-SMDDNHRTSA-N 1 0 323.349 0.517 20 5 DCBDRO Cn1cc([C@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC001660592102 1174017851 /nfs/dbraw/zinc/01/78/51/1174017851.db2.gz QAQJNPLHQBJGPG-NSHDSACASA-N 1 0 305.342 0.799 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccoc1 ZINC001663818013 1174355115 /nfs/dbraw/zinc/35/51/15/1174355115.db2.gz JYBDCJWEMGKIAJ-UHFFFAOYSA-N 1 0 307.310 0.783 20 5 DCBDRO CC(C)c1nnc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC001670091520 1174981504 /nfs/dbraw/zinc/98/15/04/1174981504.db2.gz ZSSOUNLHCIOJCF-GHMZBOCLSA-N 1 0 324.385 0.531 20 5 DCBDRO NC(=O)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001688925916 1176657703 /nfs/dbraw/zinc/65/77/03/1176657703.db2.gz SYIAXJBZFDJXKO-HAQNSBGRSA-N 1 0 320.349 0.455 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001713188987 1180712342 /nfs/dbraw/zinc/71/23/42/1180712342.db2.gz XUWRJCIJDOZAKA-PHIMTYICSA-N 1 0 306.322 0.207 20 5 DCBDRO Cc1nc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)c[nH]1 ZINC001731899215 1185557992 /nfs/dbraw/zinc/55/79/92/1185557992.db2.gz TUENRPXBPYIHHK-UHFFFAOYSA-N 1 0 321.341 0.222 20 5 DCBDRO CCCC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733578894 1186340751 /nfs/dbraw/zinc/34/07/51/1186340751.db2.gz IGRITUHRJMRQET-ZIAGYGMSSA-N 1 0 312.414 0.622 20 5 DCBDRO NC(=O)C(=O)NCC1=CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001734631810 1186713169 /nfs/dbraw/zinc/71/31/69/1186713169.db2.gz WUMXOANREOKACZ-UHFFFAOYSA-N 1 0 318.333 0.328 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)C(N)=O ZINC001753200375 1188532527 /nfs/dbraw/zinc/53/25/27/1188532527.db2.gz ZAUCPNDQJJAVME-UHFFFAOYSA-N 1 0 322.365 0.654 20 5 DCBDRO CC(=O)NCC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001754506840 1188870510 /nfs/dbraw/zinc/87/05/10/1188870510.db2.gz VROCFWMCMLXFOS-UHFFFAOYSA-N 1 0 320.349 0.469 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@H]21 ZINC001164668721 719409932 /nfs/dbraw/zinc/40/99/32/719409932.db2.gz KBBVKCWAEKDOGP-ZJUUUORDSA-N 1 0 314.729 0.401 20 5 DCBDRO COc1nc(N2CCC[C@H]([NH+](C)C)C2)nc(OC)c1[N+](=O)[O-] ZINC001165039920 721891210 /nfs/dbraw/zinc/89/12/10/721891210.db2.gz QKVJDBGLDHWTAK-VIFPVBQESA-N 1 0 311.342 0.932 20 5 DCBDRO O=C(CN1CCOCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125889457 747990473 /nfs/dbraw/zinc/99/04/73/747990473.db2.gz BFWPCDXTPWVSLD-UHFFFAOYSA-N 1 0 322.365 0.133 20 5 DCBDRO CC(=O)N1CC(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001126287200 748375307 /nfs/dbraw/zinc/37/53/07/748375307.db2.gz DMRNCNXILTUZAU-UHFFFAOYSA-N 1 0 320.349 0.279 20 5 DCBDRO CCCc1n[nH]c(C(=O)N(C)CC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC001168340382 749923854 /nfs/dbraw/zinc/92/38/54/749923854.db2.gz PBATXLLBSFKLHI-UHFFFAOYSA-N 1 0 313.358 0.267 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc2c1CCOC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936441 750149465 /nfs/dbraw/zinc/14/94/65/750149465.db2.gz HYVDWSHKDLVEBV-HUUCEWRRSA-N 1 0 319.361 0.630 20 5 DCBDRO CC(C)(C)c1nnc(CNCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001126943773 750156708 /nfs/dbraw/zinc/15/67/08/750156708.db2.gz WTFZAQYVDMGVEI-RKDXNWHRSA-N 1 0 311.342 0.238 20 5 DCBDRO Cn1ccc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001126971529 750354627 /nfs/dbraw/zinc/35/46/27/750354627.db2.gz GVZPYUWFFYUZIY-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO COC(=O)c1nc(Cl)nc(-n2cc(C[NH3+])cn2)c1[N+](=O)[O-] ZINC001157471518 762150714 /nfs/dbraw/zinc/15/07/14/762150714.db2.gz HLKFCCNMPKNZOC-UHFFFAOYSA-N 1 0 312.673 0.469 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC001168732026 753937640 /nfs/dbraw/zinc/93/76/40/753937640.db2.gz VUYDKCQMYNGXMD-UHFFFAOYSA-N 1 0 304.310 0.623 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccns3)C[C@@H]2C1 ZINC001048813126 754955351 /nfs/dbraw/zinc/95/53/51/754955351.db2.gz ANKIVMYSFFZOJS-LYIQGSDWSA-N 1 0 322.390 0.699 20 5 DCBDRO COc1nc(N2CCC(F)(C[NH3+])CC2)nc(OC)c1[N+](=O)[O-] ZINC001165262498 757297316 /nfs/dbraw/zinc/29/73/16/757297316.db2.gz MJPDTSGSAWJGRX-UHFFFAOYSA-N 1 0 315.305 0.669 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084566 759693861 /nfs/dbraw/zinc/69/38/61/759693861.db2.gz VZXLLQXJBMRWTC-XJFOESAGSA-N 1 0 311.382 0.563 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=COCCO1 ZINC001123019863 767916121 /nfs/dbraw/zinc/91/61/21/767916121.db2.gz SBCMGCAWWNBIIN-UHFFFAOYSA-N 1 0 307.306 0.689 20 5 DCBDRO Cn1cncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363310 760101515 /nfs/dbraw/zinc/10/15/15/760101515.db2.gz NLQMQJJEWJXLPC-FPQZTECRSA-N 1 0 307.354 0.070 20 5 DCBDRO NC(=O)c1nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001168808390 760465423 /nfs/dbraw/zinc/46/54/23/760465423.db2.gz MXCQFTVZDHFCIW-QMMMGPOBSA-N 1 0 302.294 0.090 20 5 DCBDRO CN(C)S(=O)(=O)CCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168866310 760481429 /nfs/dbraw/zinc/48/14/29/760481429.db2.gz CPGZJKQIAWMDJY-UHFFFAOYSA-N 1 0 314.367 0.501 20 5 DCBDRO CN(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056300 760566206 /nfs/dbraw/zinc/56/62/06/760566206.db2.gz RJUOVUGGKUIIHH-MCIONIFRSA-N 1 0 312.414 0.574 20 5 DCBDRO Cn1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001123348401 767967542 /nfs/dbraw/zinc/96/75/42/767967542.db2.gz YFLLHAZTCMZZNA-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO [NH3+]CCOCCOCCNc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001170505822 763390855 /nfs/dbraw/zinc/39/08/55/763390855.db2.gz UAYYSZFKSCCADP-UHFFFAOYSA-N 1 0 320.733 0.285 20 5 DCBDRO CN(C)C(=O)CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134941656 765741294 /nfs/dbraw/zinc/74/12/94/765741294.db2.gz MCAMCPYRGGUFSM-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC001116854989 765919409 /nfs/dbraw/zinc/91/94/09/765919409.db2.gz SKZNVBZJERYJEW-UHFFFAOYSA-N 1 0 310.379 0.728 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC(CN3CCOCC3)C2)c1[N+](=O)[O-] ZINC001117775635 766140837 /nfs/dbraw/zinc/14/08/37/766140837.db2.gz WDRYVKXOKUTWPJ-UHFFFAOYSA-N 1 0 323.353 0.041 20 5 DCBDRO Nc1ncc(C(=O)NC[C@@]23CC[N@H+](C2)CCC3)cc1[N+](=O)[O-] ZINC001144050558 766774938 /nfs/dbraw/zinc/77/49/38/766774938.db2.gz LFHULJXRIAUOKI-CQSZACIVSA-N 1 0 305.338 0.788 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[NH+]1CCC(C)CC1 ZINC001119775533 766807736 /nfs/dbraw/zinc/80/77/36/766807736.db2.gz BNSUDRYUDKGNTD-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO C[C@@H]1CN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC001120484938 767034354 /nfs/dbraw/zinc/03/43/54/767034354.db2.gz KLIQOUGZJYGNRV-DOMZBBRYSA-N 1 0 309.366 0.939 20 5 DCBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120686857 767137814 /nfs/dbraw/zinc/13/78/14/767137814.db2.gz CUWZYRUQZISQAJ-ZIAGYGMSSA-N 1 0 305.334 0.839 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001121291693 767500401 /nfs/dbraw/zinc/50/04/01/767500401.db2.gz OSDPAGOSXYFIBO-IJLUTSLNSA-N 1 0 307.354 0.556 20 5 DCBDRO COc1ccc(CC(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC001122474211 767810983 /nfs/dbraw/zinc/81/09/83/767810983.db2.gz IALUSTBXRFKKQB-HBYGRHMLSA-N 1 0 305.334 0.822 20 5 DCBDRO C[NH+](C)CC1(C(=O)NCCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC001094089887 768855471 /nfs/dbraw/zinc/85/54/71/768855471.db2.gz NCMGBLZJUIDYJS-UHFFFAOYSA-N 1 0 307.354 0.860 20 5 DCBDRO NC(=O)CNC(=O)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905335 769514649 /nfs/dbraw/zinc/51/46/49/769514649.db2.gz JAQOFBKNZAPQAG-GFCCVEGCSA-N 1 0 320.349 0.033 20 5 DCBDRO CNC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001176184742 770044890 /nfs/dbraw/zinc/04/48/90/770044890.db2.gz LFIZGLQHASTPOZ-UHFFFAOYSA-N 1 0 323.349 0.858 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccncc1 ZINC001154144823 770091585 /nfs/dbraw/zinc/09/15/85/770091585.db2.gz KEXQFDCNEBYDLN-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001154766071 770287829 /nfs/dbraw/zinc/28/78/29/770287829.db2.gz QELUYQCDLWLJHF-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO C[NH+](C)C[C@H]1COCCN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001154978697 770357498 /nfs/dbraw/zinc/35/74/98/770357498.db2.gz UBUBJXLXSYDBQL-JTQLQIEISA-N 1 0 316.745 0.648 20 5 DCBDRO Cc1ocnc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155324253 770467769 /nfs/dbraw/zinc/46/77/69/770467769.db2.gz LYBFMGGSWBZJJT-UHFFFAOYSA-N 1 0 322.325 0.534 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CC([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001155332224 770471103 /nfs/dbraw/zinc/47/11/03/770471103.db2.gz SSOCUVCPTKGVKT-UHFFFAOYSA-N 1 0 309.326 0.219 20 5 DCBDRO Cc1nc(NCc2nnc3n2CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155431848 770501185 /nfs/dbraw/zinc/50/11/85/770501185.db2.gz YDHXVXIAACIYST-UHFFFAOYSA-N 1 0 304.314 0.390 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC001155515876 770531253 /nfs/dbraw/zinc/53/12/53/770531253.db2.gz MRCHRRFRUWAISZ-UFBFGSQYSA-N 1 0 314.729 0.530 20 5 DCBDRO COc1nc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001155515439 770531643 /nfs/dbraw/zinc/53/16/43/770531643.db2.gz XTWPPGLQJDVAIR-KKZNHRDASA-N 1 0 309.326 0.430 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001155516702 770533024 /nfs/dbraw/zinc/53/30/24/770533024.db2.gz ILGKABKFKWSRFZ-ZANVPECISA-N 1 0 309.326 0.350 20 5 DCBDRO COc1nc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155619480 770568046 /nfs/dbraw/zinc/56/80/46/770568046.db2.gz PKSKGTPBJCHRIH-RNCFNFMXSA-N 1 0 309.326 0.716 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(N(C)S(=O)(=O)CC[NH3+])nc1Cl ZINC001156236051 770759361 /nfs/dbraw/zinc/75/93/61/770759361.db2.gz CHOORVRTKZKEKX-UHFFFAOYSA-N 1 0 308.747 0.676 20 5 DCBDRO Cn1cc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001178458412 770759775 /nfs/dbraw/zinc/75/97/75/770759775.db2.gz GEYMANMZPWCARD-CHWSQXEVSA-N 1 0 324.385 0.247 20 5 DCBDRO CN(c1nccc2ccc([N+](=O)[O-])cc21)S(=O)(=O)CC[NH3+] ZINC001156239233 770761245 /nfs/dbraw/zinc/76/12/45/770761245.db2.gz SWUWBWRKINDPCA-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001179893163 771029469 /nfs/dbraw/zinc/02/94/69/771029469.db2.gz CWFXONMPNYGKGA-GFCCVEGCSA-N 1 0 320.349 0.215 20 5 DCBDRO C[NH+](C)CCC(=O)NCC1(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001110325288 771595804 /nfs/dbraw/zinc/59/58/04/771595804.db2.gz DTFRSMNEGRFXFM-UHFFFAOYSA-N 1 0 323.353 0.708 20 5 DCBDRO CN(C)c1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001157760623 771664616 /nfs/dbraw/zinc/66/46/16/771664616.db2.gz FVEWZXSHZUWLLY-CHWSQXEVSA-N 1 0 321.381 0.409 20 5 DCBDRO O=C(NCCC[NH2+]Cc1coc(C2CC2)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767443 771666128 /nfs/dbraw/zinc/66/61/28/771666128.db2.gz MXJDVPNAXBENAZ-VXGBXAGGSA-N 1 0 308.338 0.813 20 5 DCBDRO [NH3+][C@H]1CCc2nn(-c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])cc2C1 ZINC001157986829 771707533 /nfs/dbraw/zinc/70/75/33/771707533.db2.gz APALASPDJKLKKS-QMMMGPOBSA-N 1 0 309.713 0.883 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(-n2cncc2C[C@@H]([NH3+])CO)nc1Cl ZINC001158204938 771740700 /nfs/dbraw/zinc/74/07/00/771740700.db2.gz WOOQTCSLAHGNKZ-MRVPVSSYSA-N 1 0 311.729 0.999 20 5 DCBDRO CC[C@H](COC)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160933281 772139352 /nfs/dbraw/zinc/13/93/52/772139352.db2.gz FXQWXABFLHFTRE-SNVBAGLBSA-N 1 0 310.358 0.631 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NCCCN2CC[NH+](C)CC2)n1 ZINC001161703877 772269329 /nfs/dbraw/zinc/26/93/29/772269329.db2.gz PPLOWODTAXWGGF-UHFFFAOYSA-N 1 0 310.358 0.443 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@@H](O)c2ccco2)ncnc1C1C[NH2+]C1 ZINC001162258457 772347009 /nfs/dbraw/zinc/34/70/09/772347009.db2.gz PXZKDFCXEVKNAT-SECBINFHSA-N 1 0 305.294 0.810 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC001162391180 772367525 /nfs/dbraw/zinc/36/75/25/772367525.db2.gz AKZSSCCOYVNIQG-MNOVXSKESA-N 1 0 322.369 0.903 20 5 DCBDRO C[C@@H]1C[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[NH2+]1 ZINC001162552867 772391321 /nfs/dbraw/zinc/39/13/21/772391321.db2.gz QGVARQYTADOVSL-GHMZBOCLSA-N 1 0 322.369 0.631 20 5 DCBDRO COc1ncc([N+](=O)[O-])cc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162971522 772437569 /nfs/dbraw/zinc/43/75/69/772437569.db2.gz HOIKXUVLDYIBFG-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO CCOc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001163255886 772494796 /nfs/dbraw/zinc/49/47/96/772494796.db2.gz ZXIZISNDJXEUQK-OCCSQVGLSA-N 1 0 306.322 0.984 20 5 DCBDRO COc1nc(N2C[C@H](C)CC[C@H]2C[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001164070916 772610491 /nfs/dbraw/zinc/61/04/91/772610491.db2.gz QETSOMOQIHQZNZ-BDAKNGLRSA-N 1 0 311.342 0.966 20 5 DCBDRO CN(c1cc2cccnc2c([N+](=O)[O-])c1)S(=O)(=O)CC[NH3+] ZINC001164297038 772640691 /nfs/dbraw/zinc/64/06/91/772640691.db2.gz HTUUIKLGWYUIEH-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO CN(c1cc2c(c([N+](=O)[O-])c1)NN(C)C2)S(=O)(=O)CC[NH3+] ZINC001164300266 772641100 /nfs/dbraw/zinc/64/11/00/772641100.db2.gz LMJMDWNPJXASTJ-UHFFFAOYSA-N 1 0 315.355 0.092 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001165274676 772715034 /nfs/dbraw/zinc/71/50/34/772715034.db2.gz GIZDXSCGGQGVHZ-CABZTGNLSA-N 1 0 322.321 0.344 20 5 DCBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001191123209 772722824 /nfs/dbraw/zinc/72/28/24/772722824.db2.gz GTLILAZWSJMONB-SECBINFHSA-N 1 0 300.340 0.220 20 5 DCBDRO Cc1cnc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c([N+](=O)[O-])c1 ZINC001165343909 772725504 /nfs/dbraw/zinc/72/55/04/772725504.db2.gz LLUYXKMVHSXNPJ-HNNXBMFYSA-N 1 0 322.365 0.884 20 5 DCBDRO COc1nc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165427677 772735494 /nfs/dbraw/zinc/73/54/94/772735494.db2.gz QZECAIXALABFNT-RKDXNWHRSA-N 1 0 311.317 0.907 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1ccnc1CC[NH3+] ZINC001166352021 772804477 /nfs/dbraw/zinc/80/44/77/772804477.db2.gz XKVSYZZEZYLRGP-UHFFFAOYSA-N 1 0 305.294 0.772 20 5 DCBDRO COc1ccc(C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001204796316 772961856 /nfs/dbraw/zinc/96/18/56/772961856.db2.gz DUIPXQGOKIGETB-CYBMUJFWSA-N 1 0 310.370 0.878 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1C[NH2+]CCN1 ZINC001218858287 774316797 /nfs/dbraw/zinc/31/67/97/774316797.db2.gz XHQJIECRCYHSNA-MRXNPFEDSA-N 1 0 322.372 0.865 20 5 DCBDRO COCCCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223113878 775465282 /nfs/dbraw/zinc/46/52/82/775465282.db2.gz DILUWYQXLJCBHF-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO COCCC[NH+]1CCC(Oc2nc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001228140956 776051696 /nfs/dbraw/zinc/05/16/96/776051696.db2.gz OKMXGQFBFRJUJE-UHFFFAOYSA-N 1 0 312.326 0.970 20 5 DCBDRO COC(=O)c1ccc(C)nc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228790310 776124528 /nfs/dbraw/zinc/12/45/28/776124528.db2.gz MKMMWQBJBOLSBW-LLVKDONJSA-N 1 0 311.358 0.539 20 5 DCBDRO Cc1ocnc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001266652519 939193404 /nfs/dbraw/zinc/19/34/04/939193404.db2.gz ACIMRATWVNUWHO-UHFFFAOYSA-N 1 0 322.325 0.487 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2C[C@@H]([NH3+])[C@H](O)C2)c1F ZINC001246562211 945432317 /nfs/dbraw/zinc/43/23/17/945432317.db2.gz YZEOQPYJDSXTJE-HLUHBDAQSA-N 1 0 313.329 0.677 20 5 DCBDRO COC(=O)[C@@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC001246933229 945522456 /nfs/dbraw/zinc/52/24/56/945522456.db2.gz RFXKJIVFESZYRN-CYZMBNFOSA-N 1 0 307.350 0.958 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC[NH2+]C[C@@H]2O)n1 ZINC001247755540 945571598 /nfs/dbraw/zinc/57/15/98/945571598.db2.gz NYWYQSGRZNRYMD-CBAPKCEASA-N 1 0 309.257 0.617 20 5 DCBDRO O=C([C@H]1C[N@@H+]2CCN1CCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319855890 945681669 /nfs/dbraw/zinc/68/16/69/945681669.db2.gz KQKFZAOXMTWSEQ-OAHLLOKOSA-N 1 0 316.361 0.827 20 5 DCBDRO COC(=O)CNC(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254543595 946406237 /nfs/dbraw/zinc/40/62/37/946406237.db2.gz UEAWSDSSNSSWPM-SNVBAGLBSA-N 1 0 309.322 0.405 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254574019 946410640 /nfs/dbraw/zinc/41/06/40/946410640.db2.gz FIYNCUKMLBQVIY-TZMCWYRMSA-N 1 0 302.334 0.993 20 5 DCBDRO CN1CCN(C(=[NH2+])N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254574579 946410848 /nfs/dbraw/zinc/41/08/48/946410848.db2.gz IYBQAZNPIBTCIO-CYBMUJFWSA-N 1 0 303.366 0.834 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCN1CC3(COC3)C1)C2 ZINC001254582350 946411805 /nfs/dbraw/zinc/41/18/05/946411805.db2.gz SFZMYQXRGVWPBC-CQSZACIVSA-N 1 0 303.362 0.984 20 5 DCBDRO Cc1cc(C(=O)N2CC(N3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC001322356202 946656782 /nfs/dbraw/zinc/65/67/82/946656782.db2.gz BIIVNVIDLUAHGQ-UHFFFAOYSA-N 1 0 318.377 0.975 20 5 DCBDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC001322712789 946778163 /nfs/dbraw/zinc/77/81/63/946778163.db2.gz JITRDCQLYSKOSY-VXGBXAGGSA-N 1 0 309.322 0.688 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCn1ccnn1 ZINC001262559018 947725976 /nfs/dbraw/zinc/72/59/76/947725976.db2.gz WSGKJYJNPBHBMY-NSHDSACASA-N 1 0 307.310 0.216 20 5 DCBDRO [NH3+][C@@H](CC(F)F)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326038319 948030583 /nfs/dbraw/zinc/03/05/83/948030583.db2.gz OFRBLSKJXDXDDC-VIFPVBQESA-N 1 0 317.296 0.937 20 5 DCBDRO [NH3+]CCCOC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001326278396 948118752 /nfs/dbraw/zinc/11/87/52/948118752.db2.gz UFUKDKIPRXTDAO-UHFFFAOYSA-N 1 0 311.342 0.148 20 5 DCBDRO Cc1nc(N2CCOC3(CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC001328142494 948719980 /nfs/dbraw/zinc/71/99/80/948719980.db2.gz BBOYJNMDZXJWIG-UHFFFAOYSA-N 1 0 307.354 0.994 20 5 DCBDRO Cn1c(-c2[nH]cnc2[N+](=O)[O-])nnc1N1CC[NH+](C2CC2)CC1 ZINC001263498407 948725250 /nfs/dbraw/zinc/72/52/50/948725250.db2.gz DLBYYVXZOIOMCF-UHFFFAOYSA-N 1 0 318.341 0.398 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCOC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001263861963 948786994 /nfs/dbraw/zinc/78/69/94/948786994.db2.gz UXZKGTYMPUSUCS-HBJVGIJOSA-N 1 0 311.382 0.705 20 5 DCBDRO [NH3+]CCCCCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001328450716 948905434 /nfs/dbraw/zinc/90/54/34/948905434.db2.gz MUVDDUNFTJMCCI-UHFFFAOYSA-N 1 0 322.365 0.846 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001329823523 949900026 /nfs/dbraw/zinc/90/00/26/949900026.db2.gz XRSKNPJEDHXOEG-MNOVXSKESA-N 1 0 322.365 0.805 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ocnc1C ZINC001266043298 950292658 /nfs/dbraw/zinc/29/26/58/950292658.db2.gz WSQTZFSWQJMHCJ-VXGBXAGGSA-N 1 0 310.354 0.976 20 5 DCBDRO CC(=O)NCC(=O)N(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001275838533 952488666 /nfs/dbraw/zinc/48/86/66/952488666.db2.gz GGLKKRVMLHWAAZ-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC001339316632 953087131 /nfs/dbraw/zinc/08/71/31/953087131.db2.gz IXAPHPAWJWFWHN-CYZMBNFOSA-N 1 0 320.349 0.213 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001345140314 953598362 /nfs/dbraw/zinc/59/83/62/953598362.db2.gz YSKDUADICSQNAL-AWEZNQCLSA-N 1 0 307.354 0.844 20 5 DCBDRO CC[NH+]1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])cn3C)C2)CC1 ZINC001347916573 954178912 /nfs/dbraw/zinc/17/89/12/954178912.db2.gz ZEYPXVNDRIYFIS-UHFFFAOYSA-N 1 0 321.381 0.395 20 5 DCBDRO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001349317507 954707194 /nfs/dbraw/zinc/70/71/94/954707194.db2.gz CYHWZDKOHJFBKI-UONOGXRCSA-N 1 0 323.349 0.201 20 5 DCBDRO CC[NH+]1CCN(c2nnc(-c3c[nH]c([N+](=O)[O-])c3)n2C)CC1 ZINC001350963125 955229524 /nfs/dbraw/zinc/22/95/24/955229524.db2.gz YLJZQNQADGDADQ-UHFFFAOYSA-N 1 0 305.342 0.860 20 5 DCBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001463747232 1013162312 /nfs/dbraw/zinc/16/23/12/1013162312.db2.gz MOOYORVJTGGWEV-BDAKNGLRSA-N 1 0 317.371 0.041 20 5 DCBDRO CC[N@H+](CCNC(=O)CNC(C)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001317475358 960187688 /nfs/dbraw/zinc/18/76/88/960187688.db2.gz OEBONPLUOPMPQH-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC001450606356 1015244689 /nfs/dbraw/zinc/24/46/89/1015244689.db2.gz BDOBHNKWNJOFGL-LLVKDONJSA-N 1 0 322.365 0.823 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC2(O)CC[NH+](C)CC2)n1 ZINC001465430652 1016001809 /nfs/dbraw/zinc/00/18/09/1016001809.db2.gz QSWDIMXXBQRCPY-UHFFFAOYSA-N 1 0 308.338 0.485 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001471214607 1016544611 /nfs/dbraw/zinc/54/46/11/1016544611.db2.gz JUMICWTUKGDRJK-GXSJLCMTSA-N 1 0 305.338 0.738 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001473711525 1016958161 /nfs/dbraw/zinc/95/81/61/1016958161.db2.gz PQRLDJJNMIFMQI-OAHLLOKOSA-N 1 0 323.349 0.471 20 5 DCBDRO NC(=O)c1ccc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001473791911 1016967430 /nfs/dbraw/zinc/96/74/30/1016967430.db2.gz DCBZOQVEZFNNTD-SCDSUCTJSA-N 1 0 305.334 0.896 20 5 DCBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)c1[N+](=O)[O-] ZINC001455303476 1009643327 /nfs/dbraw/zinc/64/33/27/1009643327.db2.gz DXQYVHOLEZTXOF-VHSXEESVSA-N 1 0 323.353 0.161 20 5 DCBDRO Nc1ncc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC001556663382 1012218415 /nfs/dbraw/zinc/21/84/15/1012218415.db2.gz IQEVKBQITMNYEQ-LLVKDONJSA-N 1 0 323.353 0.149 20 5 DCBDRO CCO[C@H](CNC(=O)Cn1c(C)ncc1[N+](=O)[O-])C[NH+](C)C ZINC001537722296 1012405496 /nfs/dbraw/zinc/40/54/96/1012405496.db2.gz VXPNEAVPDOOSNH-LLVKDONJSA-N 1 0 313.358 0.183 20 5 DCBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1CS(N)(=O)=O ZINC001560185315 1012438972 /nfs/dbraw/zinc/43/89/72/1012438972.db2.gz QHPIRDJHJVEKRK-PWSUYJOCSA-N 1 0 313.379 0.951 20 5 DCBDRO COC[C@](C)(CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001560064924 1012442601 /nfs/dbraw/zinc/44/26/01/1012442601.db2.gz YATLAESZMIWFKA-RISCZKNCSA-N 1 0 314.338 0.322 20 5 DCBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001563306967 1012502554 /nfs/dbraw/zinc/50/25/54/1012502554.db2.gz FMCYBAQVERRATN-UHFFFAOYSA-N 1 0 321.337 0.909 20 5 DCBDRO CC(C)n1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001498546553 1019214504 /nfs/dbraw/zinc/21/45/04/1019214504.db2.gz VTNZGZDUUBSGAI-CHWSQXEVSA-N 1 0 324.385 0.462 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH2+]C ZINC000415305830 529730142 /nfs/dbraw/zinc/73/01/42/529730142.db2.gz JZBMOWLQPSSDQQ-UHFFFAOYSA-N 1 0 308.338 0.821 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000290985371 283153288 /nfs/dbraw/zinc/15/32/88/283153288.db2.gz SHESSCWXNPNHOI-ONGXEEELSA-N 1 0 305.338 0.619 20 5 DCBDRO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180421730 199156436 /nfs/dbraw/zinc/15/64/36/199156436.db2.gz KMESMWMDJKMMJG-SNVBAGLBSA-N 1 0 309.322 0.925 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180417997 199156873 /nfs/dbraw/zinc/15/68/73/199156873.db2.gz HOXNDDARJPZFOY-UWVGGRQHSA-N 1 0 309.322 0.923 20 5 DCBDRO C[NH+](C)CC1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000280987611 216005950 /nfs/dbraw/zinc/00/59/50/216005950.db2.gz BZYROKHANCOEDH-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO C[NH2+]CCN(C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000263268709 283525233 /nfs/dbraw/zinc/52/52/33/283525233.db2.gz WGIPIAFOOCKBIF-SNVBAGLBSA-N 1 0 324.337 0.470 20 5 DCBDRO CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000566116086 291271101 /nfs/dbraw/zinc/27/11/01/291271101.db2.gz TYNAVGSBBGBYFG-GXTWGEPZSA-N 1 0 323.349 0.545 20 5 DCBDRO [NH3+][C@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420426879 240026861 /nfs/dbraw/zinc/02/68/61/240026861.db2.gz QTJCWQNGIOMOFS-GFCCVEGCSA-N 1 0 313.379 0.794 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000420435035 240029539 /nfs/dbraw/zinc/02/95/39/240029539.db2.gz LQMRCQZYQCDASH-JQWIXIFHSA-N 1 0 313.379 0.746 20 5 DCBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000567180237 291341913 /nfs/dbraw/zinc/34/19/13/291341913.db2.gz CZOVDIYMHZQWMI-MDZLAQPJSA-N 1 0 304.350 0.900 20 5 DCBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCO1 ZINC000493813484 241161367 /nfs/dbraw/zinc/16/13/67/241161367.db2.gz CSVOELRGGKNHQB-DTRQGZQOSA-N 1 0 309.297 0.852 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264801807 204166179 /nfs/dbraw/zinc/16/61/79/204166179.db2.gz WMXSVSDAJHMCGQ-HSBSLETESA-N 1 0 318.377 0.970 20 5 DCBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C1CC1 ZINC000264914399 204264958 /nfs/dbraw/zinc/26/49/58/204264958.db2.gz KEDUNFGIAJXZPQ-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO CC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000288472015 220163636 /nfs/dbraw/zinc/16/36/36/220163636.db2.gz OSVSUYPVQCCYSN-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000572871137 291595298 /nfs/dbraw/zinc/59/52/98/291595298.db2.gz ZQNZEPRQVVHZIM-OLZOCXBDSA-N 1 0 320.353 0.627 20 5 DCBDRO Cn1ccc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000573599073 291643106 /nfs/dbraw/zinc/64/31/06/291643106.db2.gz SLSLYAFWJUOZEV-CQSZACIVSA-N 1 0 320.349 0.900 20 5 DCBDRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000340778380 253302576 /nfs/dbraw/zinc/30/25/76/253302576.db2.gz JOAXZVJJKUJLDA-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000261644916 285156364 /nfs/dbraw/zinc/15/63/64/285156364.db2.gz JDGCHWHYMLOHKU-DTORHVGOSA-N 1 0 315.326 0.574 20 5 DCBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179332 254019859 /nfs/dbraw/zinc/01/98/59/254019859.db2.gz BBOIXLXUNKYSGU-SGMGOOAPSA-N 1 0 321.381 0.980 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347118974 254131142 /nfs/dbraw/zinc/13/11/42/254131142.db2.gz ADOOOQWBZIIPKF-SECBINFHSA-N 1 0 311.342 0.155 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCOCC[NH+](C)C ZINC000349745780 254295868 /nfs/dbraw/zinc/29/58/68/254295868.db2.gz OPVNDDPDEKLSHW-UHFFFAOYSA-N 1 0 313.358 0.184 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CC[NH3+] ZINC000349954721 254306019 /nfs/dbraw/zinc/30/60/19/254306019.db2.gz YJBDHFYMROKNOM-VHSXEESVSA-N 1 0 308.338 0.567 20 5 DCBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@@H]1CCNC1=O ZINC000340225296 131230906 /nfs/dbraw/zinc/23/09/06/131230906.db2.gz IXIJDRXWVOOTBU-BXKDBHETSA-N 1 0 306.322 0.742 20 5 DCBDRO NC(=O)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000090526081 395718941 /nfs/dbraw/zinc/71/89/41/395718941.db2.gz YKWNUFSBVJGDOF-UHFFFAOYSA-N 1 0 308.338 0.486 20 5 DCBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000111304066 395806919 /nfs/dbraw/zinc/80/69/19/395806919.db2.gz ZRBQOVBJSUCNAP-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO C[NH2+]C[C@@H](C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237177403 395905112 /nfs/dbraw/zinc/90/51/12/395905112.db2.gz IUGZGBQYIXXESA-MNOVXSKESA-N 1 0 307.354 0.858 20 5 DCBDRO O=C(NCC[NH2+]C1CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000238111102 395922192 /nfs/dbraw/zinc/92/21/92/395922192.db2.gz IMWUGPIEEZGEIH-UHFFFAOYSA-N 1 0 316.321 0.657 20 5 DCBDRO O=C(C[NH2+]C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000238158180 395922642 /nfs/dbraw/zinc/92/26/42/395922642.db2.gz UFHGEBPOIFPLCW-UHFFFAOYSA-N 1 0 304.350 0.995 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)n1 ZINC000119410760 395870424 /nfs/dbraw/zinc/87/04/24/395870424.db2.gz KFGSGWRVKADKJC-GFCCVEGCSA-N 1 0 305.342 0.795 20 5 DCBDRO Nc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000136146104 395945489 /nfs/dbraw/zinc/94/54/89/395945489.db2.gz UMGCFULIOCELTP-UHFFFAOYSA-N 1 0 322.365 0.754 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000247019278 395964578 /nfs/dbraw/zinc/96/45/78/395964578.db2.gz OYLNKPSOHHEUAC-DGCLKSJQSA-N 1 0 320.353 0.755 20 5 DCBDRO CC[N@H+](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000150918191 395975890 /nfs/dbraw/zinc/97/58/90/395975890.db2.gz HBQJLISSYFNJAQ-UHFFFAOYSA-N 1 0 310.358 0.575 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000156455723 396061902 /nfs/dbraw/zinc/06/19/02/396061902.db2.gz SUUVPBIRTPVZIU-KOLCDFICSA-N 1 0 315.351 0.332 20 5 DCBDRO O=[N+]([O-])c1cnc2ccc(N3CCC[N@@H+](CCO)CC3)nn21 ZINC000159353718 396067991 /nfs/dbraw/zinc/06/79/91/396067991.db2.gz OUHKKMBRWUNHRK-UHFFFAOYSA-N 1 0 306.326 0.142 20 5 DCBDRO [NH3+][C@@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000261996522 396088198 /nfs/dbraw/zinc/08/81/98/396088198.db2.gz ZHUOIRWHXPIUOP-ZDUSSCGKSA-N 1 0 320.349 0.568 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCC[NH+]1CCCC1 ZINC000170917972 396101761 /nfs/dbraw/zinc/10/17/61/396101761.db2.gz SCJXSDAUYPDMFK-UHFFFAOYSA-N 1 0 308.338 0.359 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000171200026 396110146 /nfs/dbraw/zinc/11/01/46/396110146.db2.gz JNLHYHQLWVUESG-UHFFFAOYSA-N 1 0 310.354 0.972 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261923116 396080266 /nfs/dbraw/zinc/08/02/66/396080266.db2.gz RVBWCJWDYBACGU-AWEZNQCLSA-N 1 0 318.377 0.643 20 5 DCBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000074139782 396158047 /nfs/dbraw/zinc/15/80/47/396158047.db2.gz MPYJUOXRGIODIQ-GFCCVEGCSA-N 1 0 306.366 0.961 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000176804653 396161478 /nfs/dbraw/zinc/16/14/78/396161478.db2.gz WDGCWXDDOUPNJA-UHFFFAOYSA-N 1 0 308.338 0.345 20 5 DCBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000176860082 396161667 /nfs/dbraw/zinc/16/16/67/396161667.db2.gz JACPOOXBULUEMH-NSHDSACASA-N 1 0 313.358 0.264 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177169579 396167864 /nfs/dbraw/zinc/16/78/64/396167864.db2.gz XNPVEWNWEJCHAL-SCZZXKLOSA-N 1 0 307.354 0.992 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000075684544 396185037 /nfs/dbraw/zinc/18/50/37/396185037.db2.gz LSYPDWQZSSNVKJ-HIFRSBDPSA-N 1 0 323.397 0.712 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([NH2+]CC2CC2)CC1 ZINC000178179792 396190938 /nfs/dbraw/zinc/19/09/38/396190938.db2.gz UIFBWQYFDIUSHP-UHFFFAOYSA-N 1 0 307.354 0.782 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000178614860 396201290 /nfs/dbraw/zinc/20/12/90/396201290.db2.gz JCWFIDRKTZENIE-SECBINFHSA-N 1 0 304.310 0.643 20 5 DCBDRO CC1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[NH2+]CC1 ZINC000183384579 396269242 /nfs/dbraw/zinc/26/92/42/396269242.db2.gz PIHNXRPXUSOLNT-UHFFFAOYSA-N 1 0 308.338 0.262 20 5 DCBDRO C[NH+](C)C1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCCC1 ZINC000077250356 396216323 /nfs/dbraw/zinc/21/63/23/396216323.db2.gz KGWDEMBQODSPCX-UHFFFAOYSA-N 1 0 310.358 0.567 20 5 DCBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000265395297 396313082 /nfs/dbraw/zinc/31/30/82/396313082.db2.gz QFEJZZJOSMKUNH-UHFFFAOYSA-N 1 0 324.337 0.610 20 5 DCBDRO C[N@@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1(C)C ZINC000285951352 396364713 /nfs/dbraw/zinc/36/47/13/396364713.db2.gz MWVCWOXEJLVFKW-UHFFFAOYSA-N 1 0 310.358 0.074 20 5 DCBDRO [NH3+][C@H]1CCCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269107309 396386574 /nfs/dbraw/zinc/38/65/74/396386574.db2.gz FFAPZSDGCNGGNF-LBPRGKRZSA-N 1 0 320.349 0.664 20 5 DCBDRO CC[NH2+]CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269154950 396390024 /nfs/dbraw/zinc/39/00/24/396390024.db2.gz SXLSTNCUHQXBLF-UHFFFAOYSA-N 1 0 308.338 0.440 20 5 DCBDRO CC(C)C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000269590531 396427119 /nfs/dbraw/zinc/42/71/19/396427119.db2.gz CHFFGKILVGUTCL-GFCCVEGCSA-N 1 0 324.381 0.849 20 5 DCBDRO COCC[N@H+](C)CCNc1nc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000288065560 396440203 /nfs/dbraw/zinc/44/02/03/396440203.db2.gz VCFPKRBAXQEXHZ-UHFFFAOYSA-N 1 0 312.326 0.767 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000507309471 396497158 /nfs/dbraw/zinc/49/71/58/396497158.db2.gz CLVPKEDPJUHPBB-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000269914520 396454655 /nfs/dbraw/zinc/45/46/55/396454655.db2.gz QBEZIJMEHPOERM-OAHLLOKOSA-N 1 0 324.381 0.749 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291010803 396477449 /nfs/dbraw/zinc/47/74/49/396477449.db2.gz DAMYPOQJUUDCPO-UHFFFAOYSA-N 1 0 317.305 0.912 20 5 DCBDRO CN(CCC[NH3+])Cc1cn(-c2ccc(O)cc2[N+](=O)[O-])nn1 ZINC000594653020 396494372 /nfs/dbraw/zinc/49/43/72/396494372.db2.gz QWTCRPJVMZXIED-UHFFFAOYSA-N 1 0 306.326 0.662 20 5 DCBDRO C[C@@H](CCO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000581011813 396518777 /nfs/dbraw/zinc/51/87/77/396518777.db2.gz KDSCEBSJUUKQRK-NSHDSACASA-N 1 0 316.379 0.977 20 5 DCBDRO O=C1C[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1 ZINC000595286684 396580307 /nfs/dbraw/zinc/58/03/07/396580307.db2.gz JLVOFTJTPQNACN-NSHDSACASA-N 1 0 305.338 0.248 20 5 DCBDRO CCc1cnc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000581998362 396599456 /nfs/dbraw/zinc/59/94/56/396599456.db2.gz GVWQSHXDBFSAHG-JTQLQIEISA-N 1 0 311.367 0.961 20 5 DCBDRO CO[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000584716153 396617300 /nfs/dbraw/zinc/61/73/00/396617300.db2.gz FWXQNFGRGRINQE-CHWSQXEVSA-N 1 0 300.359 0.803 20 5 DCBDRO CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000293747063 396630184 /nfs/dbraw/zinc/63/01/84/396630184.db2.gz XUSCWUIBTADKQO-JQWIXIFHSA-N 1 0 316.383 0.737 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295320366 396691503 /nfs/dbraw/zinc/69/15/03/396691503.db2.gz WUWODRQVGPWQPS-KMLBCRHOSA-N 1 0 318.333 0.047 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000595983437 396702658 /nfs/dbraw/zinc/70/26/58/396702658.db2.gz NWGRGVLZOPPHAC-QMMMGPOBSA-N 1 0 315.351 0.336 20 5 DCBDRO C[C@@]1(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[NH2+]C1 ZINC000595993095 396704695 /nfs/dbraw/zinc/70/46/95/396704695.db2.gz VLRAARQIEOVEGM-CQSZACIVSA-N 1 0 316.321 0.657 20 5 DCBDRO C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000563121632 396705498 /nfs/dbraw/zinc/70/54/98/396705498.db2.gz XDGLYGNZWIEZLT-SECBINFHSA-N 1 0 300.340 0.362 20 5 DCBDRO COc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000596014013 396707829 /nfs/dbraw/zinc/70/78/29/396707829.db2.gz KKCXYWBQFAVCGJ-NXEZZACHSA-N 1 0 306.322 0.352 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299277062 396713285 /nfs/dbraw/zinc/71/32/85/396713285.db2.gz OJVULQGGMKTWSV-LBPRGKRZSA-N 1 0 307.354 0.878 20 5 DCBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596110966 396718178 /nfs/dbraw/zinc/71/81/78/396718178.db2.gz SWTZBOWZORKUGZ-JTQLQIEISA-N 1 0 308.338 0.197 20 5 DCBDRO COCC[N@@H+]1CCC[C@@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000589571165 396718643 /nfs/dbraw/zinc/71/86/43/396718643.db2.gz YVBLUOVPJDIABU-SNVBAGLBSA-N 1 0 323.353 0.611 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000563431925 396733546 /nfs/dbraw/zinc/73/35/46/396733546.db2.gz OGNZRPBHPWMMBU-MWLCHTKSSA-N 1 0 306.322 0.352 20 5 DCBDRO CC(C)CO[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000305044628 396734744 /nfs/dbraw/zinc/73/47/44/396734744.db2.gz KVSBWWRZHJFHEV-KBPBESRZSA-N 1 0 312.370 0.899 20 5 DCBDRO COC(=O)C[C@@H]1CN(CCn2c(C)ncc2[N+](=O)[O-])CCO1 ZINC000316585677 396796318 /nfs/dbraw/zinc/79/63/18/396796318.db2.gz KEMGZSQMQQZRAX-LLVKDONJSA-N 1 0 312.326 0.364 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)n1 ZINC000564227831 396818341 /nfs/dbraw/zinc/81/83/41/396818341.db2.gz ROLSMLLLOLKTBE-WDEREUQCSA-N 1 0 305.338 0.355 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000611217868 396836974 /nfs/dbraw/zinc/83/69/74/396836974.db2.gz QJUGYINDVMRDKB-HNNXBMFYSA-N 1 0 318.377 0.643 20 5 DCBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564651589 396850697 /nfs/dbraw/zinc/85/06/97/396850697.db2.gz LWQQPFBWBHHSCP-WOPDTQHZSA-N 1 0 323.349 0.578 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000375999544 396859216 /nfs/dbraw/zinc/85/92/16/396859216.db2.gz YZOVAGJTJFGFAL-AWEZNQCLSA-N 1 0 315.333 0.795 20 5 DCBDRO Nc1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)nc1[N+](=O)[O-] ZINC000590578805 396801711 /nfs/dbraw/zinc/80/17/11/396801711.db2.gz RSWYODLDQFKMKA-NSHDSACASA-N 1 0 307.354 0.731 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000317647962 396805599 /nfs/dbraw/zinc/80/55/99/396805599.db2.gz RLCMIVUNRFTEGU-WDEREUQCSA-N 1 0 307.354 0.622 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000376111523 396877940 /nfs/dbraw/zinc/87/79/40/396877940.db2.gz GGRWVRAPEHGDLD-GXFFZTMASA-N 1 0 311.363 0.967 20 5 DCBDRO COCC[NH2+]CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591278270 396893776 /nfs/dbraw/zinc/89/37/76/396893776.db2.gz XIABJSRNJGFTHG-UHFFFAOYSA-N 1 0 311.338 0.692 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000600669926 396911621 /nfs/dbraw/zinc/91/16/21/396911621.db2.gz WIQYYFVFSDTUGA-IWIIMEHWSA-N 1 0 311.363 0.775 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@H]1COCC[NH2+]1)OCCO2 ZINC000600678489 396915925 /nfs/dbraw/zinc/91/59/25/396915925.db2.gz QUFFLJRQGYAQJE-NSHDSACASA-N 1 0 309.322 0.444 20 5 DCBDRO CCn1nncc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600745964 396935307 /nfs/dbraw/zinc/93/53/07/396935307.db2.gz RGOJAKASBFBRLJ-GFCCVEGCSA-N 1 0 321.337 0.736 20 5 DCBDRO CN(CCC[NH3+])C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000591678619 396975666 /nfs/dbraw/zinc/97/56/66/396975666.db2.gz BUWUJGMOEJPNMG-UHFFFAOYSA-N 1 0 322.321 0.127 20 5 DCBDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618970401 397049461 /nfs/dbraw/zinc/04/94/61/397049461.db2.gz BWENMFVJKINQPU-MEBBXXQBSA-N 1 0 324.333 0.996 20 5 DCBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000592286698 397141307 /nfs/dbraw/zinc/14/13/07/397141307.db2.gz IZPFCKHVPVUVCG-JTQLQIEISA-N 1 0 319.321 0.767 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCC[C@H]2C[NH2+]C)c([N+](=O)[O-])n1 ZINC000353455288 397145665 /nfs/dbraw/zinc/14/56/65/397145665.db2.gz PBFAUVGEMPYHHN-VIFPVBQESA-N 1 0 317.371 0.184 20 5 DCBDRO COc1cccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308905 397149278 /nfs/dbraw/zinc/14/92/78/397149278.db2.gz OUQDJLYBBYHFAM-BXKDBHETSA-N 1 0 309.322 0.792 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475118 397185908 /nfs/dbraw/zinc/18/59/08/397185908.db2.gz SIBKPGJUORIJPY-BXUZGUMPSA-N 1 0 322.365 0.606 20 5 DCBDRO CN1CCN(C(=O)CSc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000592477460 397187562 /nfs/dbraw/zinc/18/75/62/397187562.db2.gz XCANXNLDZXRIHA-GFCCVEGCSA-N 1 0 324.406 0.788 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000592489757 397189830 /nfs/dbraw/zinc/18/98/30/397189830.db2.gz VACIRWJGVLJXFV-ZDUSSCGKSA-N 1 0 323.349 0.811 20 5 DCBDRO CC(C)(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000592544911 397206348 /nfs/dbraw/zinc/20/63/48/397206348.db2.gz JXCMLSCIRMRBKL-JQWIXIFHSA-N 1 0 307.354 0.737 20 5 DCBDRO C[C@H](CCC[NH3+])NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592554609 397211769 /nfs/dbraw/zinc/21/17/69/397211769.db2.gz JOMZWBSNGQOMEH-GHMZBOCLSA-N 1 0 322.365 0.957 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000574318934 397257179 /nfs/dbraw/zinc/25/71/79/397257179.db2.gz JRPQIIBPRNBIGX-SECBINFHSA-N 1 0 309.322 0.951 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593548643 397389556 /nfs/dbraw/zinc/38/95/56/397389556.db2.gz QAECXLAOUYHUAB-CQSZACIVSA-N 1 0 313.329 0.705 20 5 DCBDRO COC(=O)[C@H]1C[C@@H](OC)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000370344338 397472555 /nfs/dbraw/zinc/47/25/55/397472555.db2.gz WQPLEYROWRCYPR-WDEREUQCSA-N 1 0 312.326 0.444 20 5 DCBDRO C[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593917636 397479289 /nfs/dbraw/zinc/47/92/89/397479289.db2.gz XBYMVQLGXKQHIF-VXGBXAGGSA-N 1 0 322.365 0.732 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000579375657 397562472 /nfs/dbraw/zinc/56/24/72/397562472.db2.gz QBTYSLDFNYYNQY-JQWIXIFHSA-N 1 0 318.333 0.287 20 5 DCBDRO CN(CCOCC[NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000599906366 397538923 /nfs/dbraw/zinc/53/89/23/397538923.db2.gz DBTKLGYFFZVGAF-UHFFFAOYSA-N 1 0 310.354 0.754 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000021504745 286348222 /nfs/dbraw/zinc/34/82/22/286348222.db2.gz NOIJUXCAINXGMX-UHFFFAOYSA-N 1 0 315.351 0.587 20 5 DCBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000119289266 158185127 /nfs/dbraw/zinc/18/51/27/158185127.db2.gz SLHKWJDLZQCTPM-GFCCVEGCSA-N 1 0 309.370 0.885 20 5 DCBDRO [NH3+][C@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000126852209 158268503 /nfs/dbraw/zinc/26/85/03/158268503.db2.gz OLEADKLECMEMQI-SECBINFHSA-N 1 0 303.315 0.750 20 5 DCBDRO C[C@H]1CCC[C@](CNC(=O)Cn2cnc([N+](=O)[O-])n2)([NH+](C)C)C1 ZINC000128476779 158281360 /nfs/dbraw/zinc/28/13/60/158281360.db2.gz WPROEYKDDGLQBT-FZMZJTMJSA-N 1 0 324.385 0.813 20 5 DCBDRO Nc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806249 159011673 /nfs/dbraw/zinc/01/16/73/159011673.db2.gz YHWIKHHBYHWKDM-GHMZBOCLSA-N 1 0 320.349 0.770 20 5 DCBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330524286 159185909 /nfs/dbraw/zinc/18/59/09/159185909.db2.gz JUNBCZNWISJXFP-LBPRGKRZSA-N 1 0 322.365 0.557 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000362888530 159273144 /nfs/dbraw/zinc/27/31/44/159273144.db2.gz JVCOKFANGXNWEL-TZMCWYRMSA-N 1 0 320.353 0.686 20 5 DCBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000367065828 159309785 /nfs/dbraw/zinc/30/97/85/159309785.db2.gz HFMJYCGQKVHOMK-ONGXEEELSA-N 1 0 317.342 0.915 20 5 DCBDRO NC(=O)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308139 159330770 /nfs/dbraw/zinc/33/07/70/159330770.db2.gz NIGKXEAYXUPCPF-DGCLKSJQSA-N 1 0 323.349 0.532 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000368361759 159389749 /nfs/dbraw/zinc/38/97/49/159389749.db2.gz MBEAOJCWZNJJQV-IWIIMEHWSA-N 1 0 314.305 0.123 20 5 DCBDRO Nc1c(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc(F)cc1[N+](=O)[O-] ZINC000368385549 159391368 /nfs/dbraw/zinc/39/13/68/159391368.db2.gz OWLMVFPDDGDLFI-YUMQZZPRSA-N 1 0 300.265 0.746 20 5 DCBDRO COCCN1CCN(C(=O)c2cc([N+](=O)[O-])nn2C)C[C@H]1C ZINC000357054637 287203169 /nfs/dbraw/zinc/20/31/69/287203169.db2.gz UPJJYKYYPSVCIL-SNVBAGLBSA-N 1 0 311.342 0.121 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419149709 287269625 /nfs/dbraw/zinc/26/96/25/287269625.db2.gz LDICTPIJICDGHV-WDEREUQCSA-N 1 0 322.365 0.744 20 5 DCBDRO NS(=O)(=O)c1cccc(NCC[C@H]2CCC[NH2+]2)c1[N+](=O)[O-] ZINC000420234163 287283492 /nfs/dbraw/zinc/28/34/92/287283492.db2.gz GOSBYKDFGFIXJL-SECBINFHSA-N 1 0 314.367 0.796 20 5 DCBDRO COCCC[NH+]1CCC(NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000343325648 415558718 /nfs/dbraw/zinc/55/87/18/415558718.db2.gz YQHFEXNPPKADDG-UHFFFAOYSA-N 1 0 311.342 0.549 20 5 DCBDRO COC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353619455 415605525 /nfs/dbraw/zinc/60/55/25/415605525.db2.gz ICRPHRFZCGCITJ-CMPLNLGQSA-N 1 0 311.338 0.909 20 5 DCBDRO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CCC[N@H+](C)C1 ZINC000343553359 415636069 /nfs/dbraw/zinc/63/60/69/415636069.db2.gz VXLLNXBZVFKLHQ-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000343574410 415642871 /nfs/dbraw/zinc/64/28/71/415642871.db2.gz QKYCZNLRXIJEGT-GFCCVEGCSA-N 1 0 322.365 0.747 20 5 DCBDRO Cc1cnn([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000289867856 415728990 /nfs/dbraw/zinc/72/89/90/415728990.db2.gz LRASWZFDSZTCTD-JSGCOSHPSA-N 1 0 320.353 0.604 20 5 DCBDRO O=C1NCCN1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000343738617 415706656 /nfs/dbraw/zinc/70/66/56/415706656.db2.gz BPCVVCPMQOWCOT-UHFFFAOYSA-N 1 0 308.342 0.453 20 5 DCBDRO CO[C@@H]1C[C@@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])[N@H+](C)C1 ZINC000343876923 415763812 /nfs/dbraw/zinc/76/38/12/415763812.db2.gz WGNZMXOIPLWWSM-WDEREUQCSA-N 1 0 322.365 0.849 20 5 DCBDRO COC[C@@](C)(CC(=O)OC)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000123504751 415843774 /nfs/dbraw/zinc/84/37/74/415843774.db2.gz OTIOACLXGMSUFT-GFCCVEGCSA-N 1 0 300.315 0.349 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000127386347 415885846 /nfs/dbraw/zinc/88/58/46/415885846.db2.gz CKKGASHSXASWKL-QMMMGPOBSA-N 1 0 302.290 0.528 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000127852054 415892730 /nfs/dbraw/zinc/89/27/30/415892730.db2.gz BVADPJGUAHOFDG-GHMZBOCLSA-N 1 0 307.354 0.885 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130948885 415923173 /nfs/dbraw/zinc/92/31/73/415923173.db2.gz IJEPHPXAPKIQJB-JTQLQIEISA-N 1 0 301.368 0.870 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000296444174 415928311 /nfs/dbraw/zinc/92/83/11/415928311.db2.gz NRTLWTMPAGCYBM-NSHDSACASA-N 1 0 322.365 0.754 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000133132482 415941210 /nfs/dbraw/zinc/94/12/10/415941210.db2.gz FCLLDFPJRDEHPP-JTQLQIEISA-N 1 0 315.351 0.619 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000153388699 415980598 /nfs/dbraw/zinc/98/05/98/415980598.db2.gz DSEUXLQLWCUYEY-CYBMUJFWSA-N 1 0 314.317 0.359 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000298261556 415998185 /nfs/dbraw/zinc/99/81/85/415998185.db2.gz VSXKWYSIMVWZAK-UHFFFAOYSA-N 1 0 308.338 0.828 20 5 DCBDRO C[C@H]1[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000345290779 416072461 /nfs/dbraw/zinc/07/24/61/416072461.db2.gz LHIMOAWUOVAZFB-QWRGUYRKSA-N 1 0 308.338 0.355 20 5 DCBDRO O=C1NCCN1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174830229 416087717 /nfs/dbraw/zinc/08/77/17/416087717.db2.gz VRCCRNQGKNIRES-UHFFFAOYSA-N 1 0 308.342 0.281 20 5 DCBDRO COC(=O)c1cnc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000302864774 416102123 /nfs/dbraw/zinc/10/21/23/416102123.db2.gz TXWKQCKRUYOXDO-PHIMTYICSA-N 1 0 306.322 0.774 20 5 DCBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCC1 ZINC000176004375 416119352 /nfs/dbraw/zinc/11/93/52/416119352.db2.gz XDZVWJQKGYNICU-UHFFFAOYSA-N 1 0 320.349 0.537 20 5 DCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000345740822 416141442 /nfs/dbraw/zinc/14/14/42/416141442.db2.gz PLEZMLORSMVFCE-RYUDHWBXSA-N 1 0 324.385 0.915 20 5 DCBDRO C[C@@H](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000345745952 416143494 /nfs/dbraw/zinc/14/34/94/416143494.db2.gz FPHGTUCSQFAYLC-NSHDSACASA-N 1 0 310.358 0.567 20 5 DCBDRO COc1cc(C(=O)NCCOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000345964514 416176650 /nfs/dbraw/zinc/17/66/50/416176650.db2.gz RRHWNIKLRLCBCM-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO C[C@@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000342110759 416283618 /nfs/dbraw/zinc/28/36/18/416283618.db2.gz IKSIAHZYBAOVKE-NSHDSACASA-N 1 0 321.381 0.742 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415437046 416343248 /nfs/dbraw/zinc/34/32/48/416343248.db2.gz KGPPYMHRYWPMJE-SNVBAGLBSA-N 1 0 324.337 0.641 20 5 DCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415567050 416347702 /nfs/dbraw/zinc/34/77/02/416347702.db2.gz PXWDZANDZWPFMK-VHSXEESVSA-N 1 0 306.322 0.742 20 5 DCBDRO [NH3+][C@@H](CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000238021875 416329654 /nfs/dbraw/zinc/32/96/54/416329654.db2.gz FGECCDTZEPHECX-LBPRGKRZSA-N 1 0 316.317 0.903 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000420263247 416417979 /nfs/dbraw/zinc/41/79/79/416417979.db2.gz BQULQPQGZZPICM-ZDUSSCGKSA-N 1 0 301.350 1.459 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000419758216 416409027 /nfs/dbraw/zinc/40/90/27/416409027.db2.gz JLZLUFYGLSOVMD-GFCCVEGCSA-N 1 0 320.349 0.373 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000419763708 416409391 /nfs/dbraw/zinc/40/93/91/416409391.db2.gz VCNCZWOEYUCRML-GFCCVEGCSA-N 1 0 320.349 0.373 20 5 DCBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583435428 416462681 /nfs/dbraw/zinc/46/26/81/416462681.db2.gz CFSHCKPZZYVHGG-AAEUAGOBSA-N 1 0 320.353 0.553 20 5 DCBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H](O)CN(C)C ZINC000361215245 416426077 /nfs/dbraw/zinc/42/60/77/416426077.db2.gz IEKWMJBNDPAGDB-SMDDNHRTSA-N 1 0 324.381 0.824 20 5 DCBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362015492 416546890 /nfs/dbraw/zinc/54/68/90/416546890.db2.gz OHAXVGMUFVXXFS-GXTWGEPZSA-N 1 0 323.349 0.977 20 5 DCBDRO Cc1c(CC(=O)NC[C@@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000423724516 416550472 /nfs/dbraw/zinc/55/04/72/416550472.db2.gz RNTXRACNIJIOID-ZDUSSCGKSA-N 1 0 306.366 0.466 20 5 DCBDRO CC(C)[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000594345358 416559462 /nfs/dbraw/zinc/55/94/62/416559462.db2.gz OVKHENXGFHGVCS-LLVKDONJSA-N 1 0 307.354 0.984 20 5 DCBDRO C[C@H]1CC2(CN1C(=O)Cn1ccc([N+](=O)[O-])n1)CC[NH2+]CC2 ZINC000584345419 416511514 /nfs/dbraw/zinc/51/15/14/416511514.db2.gz ANHLWIRDAGCELM-NSHDSACASA-N 1 0 307.354 0.782 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[NH2+]CCOC ZINC000423509183 416519384 /nfs/dbraw/zinc/51/93/84/416519384.db2.gz IVVKOEGDYPJRAN-UHFFFAOYSA-N 1 0 311.338 0.959 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425061285 416681489 /nfs/dbraw/zinc/68/14/89/416681489.db2.gz YOZHGJNNVUDGBO-WCQYABFASA-N 1 0 307.354 0.734 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000515053616 416689240 /nfs/dbraw/zinc/68/92/40/416689240.db2.gz XKUICYVJIRMKNJ-NSHDSACASA-N 1 0 318.333 0.039 20 5 DCBDRO COc1cccc(C(=O)NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000443921859 416791816 /nfs/dbraw/zinc/79/18/16/416791816.db2.gz OUAIMXPMEJWQQY-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO CNc1nccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1[N+](=O)[O-] ZINC000563385223 416879385 /nfs/dbraw/zinc/87/93/85/416879385.db2.gz SRESMUALDWSXAU-JTQLQIEISA-N 1 0 307.354 1.198 20 5 DCBDRO O=C(NCC1CC[NH+](CCO)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000444978463 416880273 /nfs/dbraw/zinc/88/02/73/416880273.db2.gz IOLDMZYJLIUETC-UHFFFAOYSA-N 1 0 324.337 0.130 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000428385807 416893277 /nfs/dbraw/zinc/89/32/77/416893277.db2.gz ZUMYWIIZTACBOP-NXEZZACHSA-N 1 0 310.358 0.387 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000428483262 416899119 /nfs/dbraw/zinc/89/91/19/416899119.db2.gz JFGVAWDIKKCVCA-NXEZZACHSA-N 1 0 322.321 0.352 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H]([NH3+])C1 ZINC000430616640 417048784 /nfs/dbraw/zinc/04/87/84/417048784.db2.gz GOGASRKXRITGQZ-SNVBAGLBSA-N 1 0 308.338 0.965 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000568902237 417193424 /nfs/dbraw/zinc/19/34/24/417193424.db2.gz ZSDAAKROGVQBPI-DGCLKSJQSA-N 1 0 308.313 0.478 20 5 DCBDRO CNc1c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000569020416 417206392 /nfs/dbraw/zinc/20/63/92/417206392.db2.gz YIEOWBRTIZWLLL-RYUDHWBXSA-N 1 0 308.338 0.383 20 5 DCBDRO COCCOC[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450490246 417231362 /nfs/dbraw/zinc/23/13/62/417231362.db2.gz ZBAUWPZHQJLZSN-OAHLLOKOSA-N 1 0 310.350 0.977 20 5 DCBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CCC[NH2+]CC1 ZINC000415324891 417365901 /nfs/dbraw/zinc/36/59/01/417365901.db2.gz VJUOFCBOOUBVNF-UHFFFAOYSA-N 1 0 310.285 0.494 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000415366175 417373251 /nfs/dbraw/zinc/37/32/51/417373251.db2.gz XSJUGEJQVYTAHC-VIFPVBQESA-N 1 0 308.338 0.949 20 5 DCBDRO CNc1nc(C(=O)NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000456582795 417654961 /nfs/dbraw/zinc/65/49/61/417654961.db2.gz CORXVFQVJFXADM-UHFFFAOYSA-N 1 0 323.353 0.218 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](N3CCOCC3)C2)c1 ZINC000580581861 417714691 /nfs/dbraw/zinc/71/46/91/417714691.db2.gz OPTPGXKUKVYUBQ-CYBMUJFWSA-N 1 0 309.370 0.588 20 5 DCBDRO COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000355066830 261302895 /nfs/dbraw/zinc/30/28/95/261302895.db2.gz XBUZYQPOTVAMDE-GFCCVEGCSA-N 1 0 324.333 0.961 20 5 DCBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])nn3C)[C@@H]2C1 ZINC000355317030 261330646 /nfs/dbraw/zinc/33/06/46/261330646.db2.gz KFTXCWBLBXEFOP-NEPJUHHUSA-N 1 0 323.353 0.264 20 5 DCBDRO COCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356146997 261396591 /nfs/dbraw/zinc/39/65/91/261396591.db2.gz PZQFVAOQVOBKAZ-UHFFFAOYSA-N 1 0 311.342 0.123 20 5 DCBDRO CC(C)[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000362843018 262080412 /nfs/dbraw/zinc/08/04/12/262080412.db2.gz NRSJXRJUIIBGOJ-ZDUSSCGKSA-N 1 0 324.385 0.773 20 5 DCBDRO COC(=O)[C@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@H+](C)C1 ZINC000413497314 262214307 /nfs/dbraw/zinc/21/43/07/262214307.db2.gz LKGFJKZLINEQPN-LLVKDONJSA-N 1 0 308.338 0.839 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413818043 262223317 /nfs/dbraw/zinc/22/33/17/262223317.db2.gz NAEMXRKPYNZOIT-JTQLQIEISA-N 1 0 323.353 0.149 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418781012 262289492 /nfs/dbraw/zinc/28/94/92/262289492.db2.gz LIDXGYJEIQNOLV-LLVKDONJSA-N 1 0 322.365 0.888 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000418790783 262290032 /nfs/dbraw/zinc/29/00/32/262290032.db2.gz YDGFSYWSJAOQST-LLVKDONJSA-N 1 0 320.349 0.594 20 5 DCBDRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418919420 262298258 /nfs/dbraw/zinc/29/82/58/262298258.db2.gz FRLNTPDJPARLBT-ZDUSSCGKSA-N 1 0 320.349 0.107 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000418920077 262298287 /nfs/dbraw/zinc/29/82/87/262298287.db2.gz HCMFTOOMIMTBPQ-GWCFXTLKSA-N 1 0 320.349 0.059 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000419152900 262313844 /nfs/dbraw/zinc/31/38/44/262313844.db2.gz ORVMHSBBNJIEPB-WDEREUQCSA-N 1 0 320.349 0.592 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423981313 262474419 /nfs/dbraw/zinc/47/44/19/262474419.db2.gz SWPVHPCLLWWXNM-QWHCGFSZSA-N 1 0 315.333 0.663 20 5 DCBDRO CO[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000359236091 271109449 /nfs/dbraw/zinc/10/94/49/271109449.db2.gz LWMNFTQKYKGONY-GXTWGEPZSA-N 1 0 323.349 0.938 20 5 DCBDRO CNc1c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000360926645 271165556 /nfs/dbraw/zinc/16/55/56/271165556.db2.gz WYPMHYVHMWPAHS-CQSZACIVSA-N 1 0 308.338 0.433 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000363693380 271199375 /nfs/dbraw/zinc/19/93/75/271199375.db2.gz POKTYFCOQQWNGU-LLVKDONJSA-N 1 0 307.354 0.947 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418873224 271259798 /nfs/dbraw/zinc/25/97/98/271259798.db2.gz TTXUJTZXADOPLH-LBPRGKRZSA-N 1 0 320.349 0.122 20 5 DCBDRO C[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419267342 271280647 /nfs/dbraw/zinc/28/06/47/271280647.db2.gz ISGWJIJODBLKST-LLVKDONJSA-N 1 0 322.365 0.806 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419267633 271280773 /nfs/dbraw/zinc/28/07/73/271280773.db2.gz JGOPCNJLDWYTOK-PWSUYJOCSA-N 1 0 320.349 0.559 20 5 DCBDRO COC(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422726110 271380637 /nfs/dbraw/zinc/38/06/37/271380637.db2.gz DBGZLMUBYJYFOX-LLVKDONJSA-N 1 0 307.306 0.863 20 5 DCBDRO COc1ccc(OCC[N@@H+]2C[C@H](O)[C@@H](CO)C2)c([N+](=O)[O-])c1 ZINC000459714469 272006530 /nfs/dbraw/zinc/00/65/30/272006530.db2.gz UTLCUDQKPDSKGJ-MFKMUULPSA-N 1 0 312.322 0.267 20 5 DCBDRO C[NH+](C)C/C=C\C(=O)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000492363891 272126498 /nfs/dbraw/zinc/12/64/98/272126498.db2.gz LIXVMLKWOCQJBT-SUVXUSRCSA-N 1 0 323.349 0.223 20 5 DCBDRO CCc1nn(C)c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000373177952 273777043 /nfs/dbraw/zinc/77/70/43/273777043.db2.gz RNPCSMMWTBIKQE-CHWSQXEVSA-N 1 0 323.397 0.926 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127093405 274985944 /nfs/dbraw/zinc/98/59/44/274985944.db2.gz PBJNSNUAZHJIHA-SNVBAGLBSA-N 1 0 301.306 0.872 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@H]21 ZINC000343277612 277121479 /nfs/dbraw/zinc/12/14/79/277121479.db2.gz FIKAHNRFMIYVTN-CHWSQXEVSA-N 1 0 320.349 0.603 20 5 DCBDRO C[N@@H+]1CC[C@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273441903 277163394 /nfs/dbraw/zinc/16/33/94/277163394.db2.gz DCMASTWOKNTEEF-SECBINFHSA-N 1 0 314.367 0.606 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C[C@@H]1O ZINC000552157318 288267094 /nfs/dbraw/zinc/26/70/94/288267094.db2.gz LKGQRXSFAOOTIW-STQMWFEESA-N 1 0 318.333 0.823 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000552208105 288268970 /nfs/dbraw/zinc/26/89/70/288268970.db2.gz DJNOSUCFUBBZKT-MRXNPFEDSA-N 1 0 319.361 0.710 20 5 DCBDRO O=C(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000559292618 288471605 /nfs/dbraw/zinc/47/16/05/288471605.db2.gz GQYBRJHANSHTMS-ZDUSSCGKSA-N 1 0 323.349 0.547 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2nccn2C(F)F)c1 ZINC000563952285 288717834 /nfs/dbraw/zinc/71/78/34/288717834.db2.gz DRSYGWWQHIVIOL-VIFPVBQESA-N 1 0 316.268 0.534 20 5 DCBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564651587 288755712 /nfs/dbraw/zinc/75/57/12/288755712.db2.gz LWQQPFBWBHHSCP-GRYCIOLGSA-N 1 0 323.349 0.578 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000564995025 288805149 /nfs/dbraw/zinc/80/51/49/288805149.db2.gz HFCPGVPSEPUHDF-NXEZZACHSA-N 1 0 324.337 0.646 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000565434356 288852504 /nfs/dbraw/zinc/85/25/04/288852504.db2.gz ZGAJTJYXMINRJZ-GHMZBOCLSA-N 1 0 306.322 0.352 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000451934966 295198577 /nfs/dbraw/zinc/19/85/77/295198577.db2.gz RDGUVMXQVIPVDE-VIFPVBQESA-N 1 0 317.367 0.832 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@H]1CC[NH2+]C1 ZINC000570843578 332827068 /nfs/dbraw/zinc/82/70/68/332827068.db2.gz JGURCEYMKQBUBM-NSHDSACASA-N 1 0 308.338 0.836 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1 ZINC000570964258 333469903 /nfs/dbraw/zinc/46/99/03/333469903.db2.gz KFDNTLQQBQGENL-VIFPVBQESA-N 1 0 300.340 0.268 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000582171493 335705843 /nfs/dbraw/zinc/70/58/43/335705843.db2.gz GTEGWZLNXZSFOG-VIFPVBQESA-N 1 0 306.322 0.168 20 5 DCBDRO CC(C)(O)C(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393587507 337093043 /nfs/dbraw/zinc/09/30/43/337093043.db2.gz LMCRVCDDXWPVBK-NSHDSACASA-N 1 0 300.359 0.539 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000583154825 337247437 /nfs/dbraw/zinc/24/74/37/337247437.db2.gz IIPXXDNJZNXGPC-UWVGGRQHSA-N 1 0 310.741 0.996 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](CO)CC(F)F ZINC000575181018 341783808 /nfs/dbraw/zinc/78/38/08/341783808.db2.gz MAGUTVKYCYFWFY-VHSXEESVSA-N 1 0 320.292 0.940 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000577749862 341934422 /nfs/dbraw/zinc/93/44/22/341934422.db2.gz ZEUXOSCBQUQHRJ-STQMWFEESA-N 1 0 321.381 0.948 20 5 DCBDRO CC(C)(CC(N)=O)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000186207170 519202230 /nfs/dbraw/zinc/20/22/30/519202230.db2.gz IYHMGZQTZQBQAK-LLVKDONJSA-N 1 0 311.338 0.578 20 5 DCBDRO CC(C)(C[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000262539182 519233481 /nfs/dbraw/zinc/23/34/81/519233481.db2.gz DXLOHSQMXDBCKG-UHFFFAOYSA-N 1 0 304.310 0.643 20 5 DCBDRO CC(C)N(CC[NH+](C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000159777459 519645604 /nfs/dbraw/zinc/64/56/04/519645604.db2.gz QJQRWUFJYLJZLN-UHFFFAOYSA-N 1 0 312.374 0.773 20 5 DCBDRO CC[N@@H+]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000160015026 521608025 /nfs/dbraw/zinc/60/80/25/521608025.db2.gz OZHGDZOASANLKB-UHFFFAOYSA-N 1 0 310.358 0.529 20 5 DCBDRO COC[C@H](O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129632022 522805419 /nfs/dbraw/zinc/80/54/19/522805419.db2.gz PQUDCROFWYTKKM-GXFFZTMASA-N 1 0 311.338 0.909 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000267077937 523780114 /nfs/dbraw/zinc/78/01/14/523780114.db2.gz IVQQZOCFODRGLH-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000157303556 523974479 /nfs/dbraw/zinc/97/44/79/523974479.db2.gz CGIIPCOTCIJTRW-VXGBXAGGSA-N 1 0 307.354 0.734 20 5 DCBDRO C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C[NH3+])C1 ZINC000261875967 524453466 /nfs/dbraw/zinc/45/34/66/524453466.db2.gz SUUGAHOGSXDLPZ-ZYHUDNBSSA-N 1 0 308.338 0.342 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160160606 525232235 /nfs/dbraw/zinc/23/22/35/525232235.db2.gz NKFXRCLHJLTYMH-GXFFZTMASA-N 1 0 320.349 0.663 20 5 DCBDRO Cc1cc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1F ZINC000366302056 525416300 /nfs/dbraw/zinc/41/63/00/525416300.db2.gz GDDORQQAZPXVOR-GDGBQDQQSA-N 1 0 315.326 0.538 20 5 DCBDRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000188733311 526564998 /nfs/dbraw/zinc/56/49/98/526564998.db2.gz KYSZGKSHFZEMOP-SMDDNHRTSA-N 1 0 322.340 0.943 20 5 DCBDRO COC(=O)CNC(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285176908 536474329 /nfs/dbraw/zinc/47/43/29/536474329.db2.gz BLTNTIABQMWQSS-UHFFFAOYSA-N 1 0 323.349 0.748 20 5 DCBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000738368054 598499649 /nfs/dbraw/zinc/49/96/49/598499649.db2.gz CMXVQGGCOYVANC-QMMMGPOBSA-N 1 0 316.325 0.819 20 5 DCBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821621691 606708066 /nfs/dbraw/zinc/70/80/66/606708066.db2.gz BWAPNSPDVDZNDP-SECBINFHSA-N 1 0 318.341 0.558 20 5 DCBDRO Cn1nccc1[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000933535747 657491285 /nfs/dbraw/zinc/49/12/85/657491285.db2.gz WCJFHDIDVMUCNB-LBPRGKRZSA-N 1 0 306.326 0.598 20 5 DCBDRO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000261674616 658148444 /nfs/dbraw/zinc/14/84/44/658148444.db2.gz GEOVVQGTSPQSKJ-MRVPVSSYSA-N 1 0 303.340 0.490 20 5 DCBDRO CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063488 658819062 /nfs/dbraw/zinc/81/90/62/658819062.db2.gz CFUFXPGFFWDRRO-WRWGMCAJSA-N 1 0 322.369 0.008 20 5 DCBDRO NC(=O)NC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178866111 661669831 /nfs/dbraw/zinc/66/98/31/661669831.db2.gz RLPIXOXJJOBYFC-CYBMUJFWSA-N 1 0 308.338 0.761 20 5 DCBDRO CCc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC000983649589 661997016 /nfs/dbraw/zinc/99/70/16/661997016.db2.gz OWVCMSSXJFYZNQ-FPQZTECRSA-N 1 0 322.365 0.887 20 5 DCBDRO C[C@@H]1[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738685 662211756 /nfs/dbraw/zinc/21/17/56/662211756.db2.gz YALYMNYAXLHRPA-MNOVXSKESA-N 1 0 322.369 0.726 20 5 DCBDRO CN1CCOC[C@]1(CO)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896458025 662273113 /nfs/dbraw/zinc/27/31/13/662273113.db2.gz LPSYXLLVYLDKCJ-OAHLLOKOSA-N 1 0 309.366 0.420 20 5 DCBDRO CN(Cc1ncccn1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430591 662441608 /nfs/dbraw/zinc/44/16/08/662441608.db2.gz FXXBUABFDUOKPH-CHWSQXEVSA-N 1 0 319.365 0.565 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000900332562 663234807 /nfs/dbraw/zinc/23/48/07/663234807.db2.gz YXQKIGYTANCJIC-DZGCQCFKSA-N 1 0 307.350 0.709 20 5 DCBDRO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000903285486 663451053 /nfs/dbraw/zinc/45/10/53/663451053.db2.gz KYXYGOGONGZPLX-WFASDCNBSA-N 1 0 309.366 0.939 20 5 DCBDRO Cn1cc(C[NH2+][C@H]2CNOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904425467 663513380 /nfs/dbraw/zinc/51/33/80/663513380.db2.gz NGMKFOJWAKRFCZ-LBPRGKRZSA-N 1 0 303.322 0.988 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000908205621 663743633 /nfs/dbraw/zinc/74/36/33/663743633.db2.gz OLZZNMJSGCKGDW-LLVKDONJSA-N 1 0 311.313 0.920 20 5 DCBDRO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1CC[NH2+]CC1 ZINC000911648112 664097870 /nfs/dbraw/zinc/09/78/70/664097870.db2.gz INLYXAWTXNQONO-UHFFFAOYSA-N 1 0 307.306 0.802 20 5 DCBDRO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000912813238 664231468 /nfs/dbraw/zinc/23/14/68/664231468.db2.gz HCHJVTDDEPBHKP-RYUDHWBXSA-N 1 0 324.385 0.765 20 5 DCBDRO Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC001001394683 666040972 /nfs/dbraw/zinc/04/09/72/666040972.db2.gz FUBUKFBYSLRSIR-ZIAGYGMSSA-N 1 0 322.365 0.976 20 5 DCBDRO Cc1oncc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002789959 666220180 /nfs/dbraw/zinc/22/01/80/666220180.db2.gz YVAYUPCJTTZILB-CHWSQXEVSA-N 1 0 308.338 0.729 20 5 DCBDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922534146 666476754 /nfs/dbraw/zinc/47/67/54/666476754.db2.gz VJWXXTZIICXVMJ-CQSZACIVSA-N 1 0 313.329 0.517 20 5 DCBDRO Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429650 666790989 /nfs/dbraw/zinc/79/09/89/666790989.db2.gz RFADCEJWWXFUDT-ZYHUDNBSSA-N 1 0 309.326 0.124 20 5 DCBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642818 667088632 /nfs/dbraw/zinc/08/86/32/667088632.db2.gz GCSMKDWDJWZFSM-FDYHWXHSSA-N 1 0 319.365 0.659 20 5 DCBDRO COC(=O)COc1ccc(CN(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000863651388 667166973 /nfs/dbraw/zinc/16/69/73/667166973.db2.gz HPYPCUUBBIHHKT-JTQLQIEISA-N 1 0 311.338 0.926 20 5 DCBDRO COC(=O)COc1ccc(CN(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000863651407 667167015 /nfs/dbraw/zinc/16/70/15/667167015.db2.gz HPYPCUUBBIHHKT-SNVBAGLBSA-N 1 0 311.338 0.926 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([NH2+]CCO)CC2)c1 ZINC000923411273 667529502 /nfs/dbraw/zinc/52/95/02/667529502.db2.gz BPIDTFZWDNTCEW-HNNXBMFYSA-N 1 0 309.366 0.675 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886830453 667804502 /nfs/dbraw/zinc/80/45/02/667804502.db2.gz RFPWXOBBMUXTPQ-YUTCNCBUSA-N 1 0 310.354 0.653 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871674177 667843053 /nfs/dbraw/zinc/84/30/53/667843053.db2.gz SYYOASJVCIUHIG-GFCCVEGCSA-N 1 0 322.365 0.822 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000871987652 667863371 /nfs/dbraw/zinc/86/33/71/667863371.db2.gz UIVVCCAKXJPLHS-CQSZACIVSA-N 1 0 303.322 0.823 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747232260 667898010 /nfs/dbraw/zinc/89/80/10/667898010.db2.gz VLICREXRJNZNHZ-ZYHUDNBSSA-N 1 0 308.338 0.526 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCS(=O)(=O)C2)c1 ZINC000749648255 667959349 /nfs/dbraw/zinc/95/93/49/667959349.db2.gz RXLQGBVTJBEZRR-JQWIXIFHSA-N 1 0 300.336 0.405 20 5 DCBDRO C[NH+](C)C[C@H]1NC(=O)N(CCc2cccc([N+](=O)[O-])c2)C1=O ZINC000924624583 668222634 /nfs/dbraw/zinc/22/26/34/668222634.db2.gz MANAOSVPHHYXBT-GFCCVEGCSA-N 1 0 306.322 0.619 20 5 DCBDRO Cc1cc(F)cc(C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2C)c1[N+](=O)[O-] ZINC000924992181 668261986 /nfs/dbraw/zinc/26/19/86/668261986.db2.gz ZIVWNBDHBPRISB-GHMZBOCLSA-N 1 0 311.313 0.837 20 5 DCBDRO C[C@@H](CN1CCOCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876932304 668538093 /nfs/dbraw/zinc/53/80/93/668538093.db2.gz JFYCWGYSYMJEBF-HIFPTAJRSA-N 1 0 309.370 0.805 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)OCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000767508735 668575809 /nfs/dbraw/zinc/57/58/09/668575809.db2.gz WOKHNZDFNQGADO-PHIMTYICSA-N 1 0 310.310 0.198 20 5 DCBDRO C[NH+]1CCC(NC(=S)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000768479359 668611199 /nfs/dbraw/zinc/61/11/99/668611199.db2.gz LIKYINQLLLIZPY-UHFFFAOYSA-N 1 0 312.399 0.350 20 5 DCBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000126518297 668616608 /nfs/dbraw/zinc/61/66/08/668616608.db2.gz JBPZMJRHNOCHIJ-SECBINFHSA-N 1 0 317.342 0.964 20 5 DCBDRO CC(C)(O)CN1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877666165 668637460 /nfs/dbraw/zinc/63/74/60/668637460.db2.gz YOGOUIROVXMANX-HIFPTAJRSA-N 1 0 323.397 0.930 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277166 668874698 /nfs/dbraw/zinc/87/46/98/668874698.db2.gz MRXUBFMUFBHLAK-IUODEOHRSA-N 1 0 309.366 0.627 20 5 DCBDRO Nc1nccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000847406550 670549245 /nfs/dbraw/zinc/54/92/45/670549245.db2.gz DBBZXTZVXQRVLL-ZJUUUORDSA-N 1 0 321.337 0.165 20 5 DCBDRO O=[N+]([O-])c1ccnn1CN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112199765 670556516 /nfs/dbraw/zinc/55/65/16/670556516.db2.gz GPBFMNCGKWUGDD-CYBMUJFWSA-N 1 0 309.370 0.793 20 5 DCBDRO C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569927 670750153 /nfs/dbraw/zinc/75/01/53/670750153.db2.gz LTKWDLUPXSBBAX-NSHDSACASA-N 1 0 321.381 0.602 20 5 DCBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000850585323 670920502 /nfs/dbraw/zinc/92/05/02/670920502.db2.gz ZFFUXVFMSCWUOQ-UHFFFAOYSA-N 1 0 314.367 0.880 20 5 DCBDRO O=C(N1CC[NH2+]CC1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857763101 670945849 /nfs/dbraw/zinc/94/58/49/670945849.db2.gz PNQZSECWXKPJBI-UHFFFAOYSA-N 1 0 301.249 0.998 20 5 DCBDRO O=C1CCC(=O)N1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819023273 671086254 /nfs/dbraw/zinc/08/62/54/671086254.db2.gz LCQHDIOLNOBXAB-CYBMUJFWSA-N 1 0 321.333 0.757 20 5 DCBDRO C[S@](=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819033201 671087003 /nfs/dbraw/zinc/08/70/03/671087003.db2.gz MHXGGZRFJBFZAP-FVINQWEUSA-N 1 0 302.352 0.303 20 5 DCBDRO COCCN1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819040473 671087866 /nfs/dbraw/zinc/08/78/66/671087866.db2.gz YZBAWHGAPOJSJO-ZFWWWQNUSA-N 1 0 309.366 0.939 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2cccnc2)c1 ZINC000819068976 671091949 /nfs/dbraw/zinc/09/19/49/671091949.db2.gz LGLOHDPJGHWRMO-LBPRGKRZSA-N 1 0 307.310 0.216 20 5 DCBDRO C[C@@H](O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819129833 671098019 /nfs/dbraw/zinc/09/80/19/671098019.db2.gz BXUXFQNBLGZDSW-IAQYHMDHSA-N 1 0 320.349 0.995 20 5 DCBDRO COC(=O)N(C)CC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000852570320 671139834 /nfs/dbraw/zinc/13/98/34/671139834.db2.gz WEAYSRSPFRIUJR-UHFFFAOYSA-N 1 0 312.326 0.387 20 5 DCBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1=NO[C@H](C[NH3+])C1)CC2 ZINC000852890608 671187416 /nfs/dbraw/zinc/18/74/16/671187416.db2.gz ZNIYWNIWHYRIFX-JTQLQIEISA-N 1 0 304.306 0.896 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000853082607 671206839 /nfs/dbraw/zinc/20/68/39/671206839.db2.gz KNCPMCKVJRNBGD-GFCCVEGCSA-N 1 0 315.351 0.634 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000853337435 671227929 /nfs/dbraw/zinc/22/79/29/671227929.db2.gz IYJYAYYPRZMJRB-AWEZNQCLSA-N 1 0 324.312 0.849 20 5 DCBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000861033872 671261253 /nfs/dbraw/zinc/26/12/53/671261253.db2.gz WPXUIJGGXSHRSD-NSHDSACASA-N 1 0 312.326 0.445 20 5 DCBDRO CN(C1CCC([NH3+])CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842737496 671407080 /nfs/dbraw/zinc/40/70/80/671407080.db2.gz VXBDVFXODGVDDF-UHFFFAOYSA-N 1 0 314.367 0.880 20 5 DCBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000826896616 671505157 /nfs/dbraw/zinc/50/51/57/671505157.db2.gz CNBQGFAWKXXXDH-CQSZACIVSA-N 1 0 323.328 0.340 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827278654 671520922 /nfs/dbraw/zinc/52/09/22/671520922.db2.gz XPSISBSLAUWGLJ-MWLCHTKSSA-N 1 0 306.322 0.862 20 5 DCBDRO CC(C)(CCC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[N+](=O)[O-] ZINC000833551417 671747935 /nfs/dbraw/zinc/74/79/35/671747935.db2.gz BNNZRBIAOGKJOA-GFCCVEGCSA-N 1 0 301.387 0.785 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000841245133 671922881 /nfs/dbraw/zinc/92/28/81/671922881.db2.gz IVHJBIZIETWTTL-UHFFFAOYSA-N 1 0 310.285 0.411 20 5 DCBDRO COC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CCC[NH2+]1 ZINC000843476425 672101936 /nfs/dbraw/zinc/10/19/36/672101936.db2.gz DUAPZXROGWVMCQ-AWEZNQCLSA-N 1 0 308.338 0.675 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843479814 672102504 /nfs/dbraw/zinc/10/25/04/672102504.db2.gz UDTBLWHRDNCCMH-LBPRGKRZSA-N 1 0 322.321 0.154 20 5 DCBDRO C[NH2+]C[C@](C)(O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846217669 672301286 /nfs/dbraw/zinc/30/12/86/672301286.db2.gz KWSREQNFNHUWHK-HNNXBMFYSA-N 1 0 308.382 0.687 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001648886442 1157431786 /nfs/dbraw/zinc/43/17/86/1157431786.db2.gz RHQPEBWRBWGLOD-UHFFFAOYSA-N 1 0 323.353 0.285 20 5 DCBDRO CC(C)(C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001575092459 1163889484 /nfs/dbraw/zinc/88/94/84/1163889484.db2.gz NFXHFFNPNGNCHW-NSHDSACASA-N 1 0 307.350 0.977 20 5 DCBDRO C[C@@H]1CC2(CN1C(=O)c1nn(C)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001576637905 1164420268 /nfs/dbraw/zinc/42/02/68/1164420268.db2.gz KWYTZYICJYJWBQ-SNVBAGLBSA-N 1 0 307.354 0.933 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001578649885 1165079799 /nfs/dbraw/zinc/07/97/99/1165079799.db2.gz PJNZJCRORACIAE-AWEZNQCLSA-N 1 0 324.381 0.826 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2C[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1 ZINC001578746774 1165094888 /nfs/dbraw/zinc/09/48/88/1165094888.db2.gz SLXVNOXWBJXKCG-RKDXNWHRSA-N 1 0 314.367 0.429 20 5 DCBDRO C[NH+](C)C1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001578968810 1165172426 /nfs/dbraw/zinc/17/24/26/1165172426.db2.gz NOICSVFNKBBDOX-UHFFFAOYSA-N 1 0 318.341 0.700 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001578989260 1165180101 /nfs/dbraw/zinc/18/01/01/1165180101.db2.gz NGYSDBSWQISAAX-STQMWFEESA-N 1 0 309.322 0.075 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001579824438 1165403233 /nfs/dbraw/zinc/40/32/33/1165403233.db2.gz ASCSRCGKPRBEMF-JTQLQIEISA-N 1 0 309.326 0.302 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC001579877182 1165419578 /nfs/dbraw/zinc/41/95/78/1165419578.db2.gz CDVCRCDQPCCTLG-SDDRHHMPSA-N 1 0 307.354 0.686 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCc2cccc3c2CC[NH2+]C3)n1 ZINC001579969072 1165453879 /nfs/dbraw/zinc/45/38/79/1165453879.db2.gz BNDDGJFBGWESTP-UHFFFAOYSA-N 1 0 315.333 0.904 20 5 DCBDRO [NH3+]CC1(NC(=O)COc2ccccc2[N+](=O)[O-])CCOCC1 ZINC001580245012 1165546442 /nfs/dbraw/zinc/54/64/42/1165546442.db2.gz OWEZWOCUBZTIPR-UHFFFAOYSA-N 1 0 309.322 0.598 20 5 DCBDRO [NH3+]Cc1ccc2c(c1)N(C(=O)Cn1cc([N+](=O)[O-])cn1)CCO2 ZINC001580340344 1165577429 /nfs/dbraw/zinc/57/74/29/1165577429.db2.gz WJQZBUIBJTUDNW-UHFFFAOYSA-N 1 0 317.305 0.676 20 5 DCBDRO Nc1nccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001580472569 1165613703 /nfs/dbraw/zinc/61/37/03/1165613703.db2.gz NSVMSLKWINKNPJ-CQSZACIVSA-N 1 0 305.338 0.788 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1(C2CC[NH2+]CC2)CC1 ZINC001580578837 1165643979 /nfs/dbraw/zinc/64/39/79/1165643979.db2.gz NSOCOHBYIRRISB-UHFFFAOYSA-N 1 0 320.349 0.405 20 5 DCBDRO O=C(NC[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001580641316 1165671748 /nfs/dbraw/zinc/67/17/48/1165671748.db2.gz GCBITVIBSPKGQJ-MYJAWHEDSA-N 1 0 305.290 0.519 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC001586276481 1166492221 /nfs/dbraw/zinc/49/22/21/1166492221.db2.gz YZAVPDGIZGPDAX-UHFFFAOYSA-N 1 0 323.353 0.101 20 5 DCBDRO C[NH+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1SCCO ZINC001587101895 1166502709 /nfs/dbraw/zinc/50/27/09/1166502709.db2.gz BMDZXBPBQWRIGF-UHFFFAOYSA-N 1 0 313.379 0.971 20 5 DCBDRO CC1(C)CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[NH2+]1 ZINC001590109219 1166777778 /nfs/dbraw/zinc/77/77/78/1166777778.db2.gz QCKWKWVBVMMEAA-UHFFFAOYSA-N 1 0 304.314 0.358 20 5 DCBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001590522017 1166932889 /nfs/dbraw/zinc/93/28/89/1166932889.db2.gz GBUOQOCNTFKIJC-ZANVPECISA-N 1 0 318.337 0.978 20 5 DCBDRO CC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001590522016 1166934169 /nfs/dbraw/zinc/93/41/69/1166934169.db2.gz GBUOQOCNTFKIJC-TVQRCGJNSA-N 1 0 318.337 0.978 20 5 DCBDRO [NH3+]C1(CO)CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001592741156 1167625981 /nfs/dbraw/zinc/62/59/81/1167625981.db2.gz PNVUEOQHSZAKFV-UHFFFAOYSA-N 1 0 319.325 0.065 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H]1CO ZINC001593466812 1167857487 /nfs/dbraw/zinc/85/74/87/1167857487.db2.gz IEDHQLCOTMDTDX-LLVKDONJSA-N 1 0 304.310 0.732 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC001593467058 1167859789 /nfs/dbraw/zinc/85/97/89/1167859789.db2.gz LEEZCSNSZBPMHS-LBPRGKRZSA-N 1 0 316.321 0.732 20 5 DCBDRO Nc1ccc(C(=O)N2CC([NH2+]C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC001596117668 1167987219 /nfs/dbraw/zinc/98/72/19/1167987219.db2.gz RUGFRVLNWKPNJP-UHFFFAOYSA-N 1 0 320.349 0.770 20 5 DCBDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H](C)CO ZINC001609114717 1170813076 /nfs/dbraw/zinc/81/30/76/1170813076.db2.gz SUIQKMQHBLLZQZ-RKDXNWHRSA-N 1 0 306.326 0.881 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[NH+](CC)CC2)n1 ZINC001616218152 1171376644 /nfs/dbraw/zinc/37/66/44/1171376644.db2.gz HPWMPIQXGOPHBJ-UHFFFAOYSA-N 1 0 324.385 0.179 20 5 DCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001615837059 1171376689 /nfs/dbraw/zinc/37/66/89/1171376689.db2.gz DENZTYPQHADZRH-UHFFFAOYSA-N 1 0 310.358 0.074 20 5 DCBDRO C[C@@](CO)([NH2+]CC[C@@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC001620495451 1171403926 /nfs/dbraw/zinc/40/39/26/1171403926.db2.gz OYKRKJJJXMMKCC-NHYWBVRUSA-N 1 0 307.350 0.918 20 5 DCBDRO CNC(=O)C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001620587061 1171403974 /nfs/dbraw/zinc/40/39/74/1171403974.db2.gz QWYZMNSZKCCTSV-CYBMUJFWSA-N 1 0 323.349 0.513 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001635935928 1171717642 /nfs/dbraw/zinc/71/76/42/1171717642.db2.gz QMRJXTKVGMUROM-SECBINFHSA-N 1 0 309.297 0.937 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001640128889 1171866783 /nfs/dbraw/zinc/86/67/83/1171866783.db2.gz YDCRZRDPQGPVCQ-GHMZBOCLSA-N 1 0 323.353 0.298 20 5 DCBDRO COC[C@@]1(CO)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116751 1171966367 /nfs/dbraw/zinc/96/63/67/1171966367.db2.gz CJIDQPORJCNLBI-CABCVRRESA-N 1 0 310.350 0.959 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001644686813 1172015703 /nfs/dbraw/zinc/01/57/03/1172015703.db2.gz LKNBOUWXGJETIN-NSHDSACASA-N 1 0 323.353 0.691 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001645133255 1172029206 /nfs/dbraw/zinc/02/92/06/1172029206.db2.gz YDGSWQUIAUTDDA-LBPRGKRZSA-N 1 0 309.370 0.900 20 5 DCBDRO CNc1ccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001647773288 1173055194 /nfs/dbraw/zinc/05/51/94/1173055194.db2.gz RAMCOBQRMGGTQM-NSHDSACASA-N 1 0 320.349 0.839 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1 ZINC001647773069 1173055758 /nfs/dbraw/zinc/05/57/58/1173055758.db2.gz MLEWSPBZSZRJQG-JTQLQIEISA-N 1 0 321.333 0.806 20 5 DCBDRO C[C@@](CO)([NH2+]CCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC001648020619 1173063851 /nfs/dbraw/zinc/06/38/51/1173063851.db2.gz YVLYNPOTMKJAIV-AWEZNQCLSA-N 1 0 309.322 0.844 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccnc(N)c3[N+](=O)[O-])[C@@H]2C1 ZINC001648175539 1173068462 /nfs/dbraw/zinc/06/84/62/1173068462.db2.gz UGGRIQGSNOMBNA-JMJZKYOTSA-N 1 0 305.338 0.642 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001648402125 1173074243 /nfs/dbraw/zinc/07/42/43/1173074243.db2.gz IVTSRODAEKZLFQ-GHMZBOCLSA-N 1 0 309.322 0.859 20 5 DCBDRO Cn1ncc2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)cnc21 ZINC001650717509 1173730771 /nfs/dbraw/zinc/73/07/71/1173730771.db2.gz NFGBEIFPNIVAIW-UHFFFAOYSA-N 1 0 301.310 0.863 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001655439193 1173819963 /nfs/dbraw/zinc/81/99/63/1173819963.db2.gz JRRMSTAVPFSJMN-ZYHUDNBSSA-N 1 0 304.310 0.631 20 5 DCBDRO NC(=O)c1cc(N2CC([NH2+]C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC001655850627 1173828691 /nfs/dbraw/zinc/82/86/91/1173828691.db2.gz PARLAIYIMDZRLS-UHFFFAOYSA-N 1 0 320.349 0.651 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001655922856 1173829920 /nfs/dbraw/zinc/82/99/20/1173829920.db2.gz WDVAKWPSZNVDJT-HNNXBMFYSA-N 1 0 318.333 0.916 20 5 DCBDRO CNC(=O)NCC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001663193358 1174273772 /nfs/dbraw/zinc/27/37/72/1174273772.db2.gz WBAZRPOBJVWMFY-UHFFFAOYSA-N 1 0 323.353 0.072 20 5 DCBDRO O=C1NCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001664788706 1174459517 /nfs/dbraw/zinc/45/95/17/1174459517.db2.gz LWEFXHYNZFWMFI-ZDUSSCGKSA-N 1 0 319.365 0.827 20 5 DCBDRO CC(=O)NCC(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001699223623 1177954500 /nfs/dbraw/zinc/95/45/00/1177954500.db2.gz GJUHZTLYJYAMHQ-SNAWJCMRSA-N 1 0 320.349 0.493 20 5 DCBDRO CN(CC[NH2+]CCn1cc(Cl)cn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714702741 1181490634 /nfs/dbraw/zinc/49/06/34/1181490634.db2.gz DHLSZGMFTYJQPT-GHMZBOCLSA-N 1 0 315.761 0.250 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)Cc1ccco1 ZINC001714772609 1181537750 /nfs/dbraw/zinc/53/77/50/1181537750.db2.gz NSUVWXUECCDCBU-UHFFFAOYSA-N 1 0 321.337 0.712 20 5 DCBDRO Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)o1 ZINC001717149989 1182696982 /nfs/dbraw/zinc/69/69/82/1182696982.db2.gz JZFZOCYSPYDJCS-VXGBXAGGSA-N 1 0 308.338 0.777 20 5 DCBDRO CN(CCC[N@H+](C)CCc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717207122 1182732413 /nfs/dbraw/zinc/73/24/13/1182732413.db2.gz XTSFYCJZNGBFRW-ZIAGYGMSSA-N 1 0 323.397 0.408 20 5 DCBDRO CC[N@H+](CCOC)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001717355320 1182799237 /nfs/dbraw/zinc/79/92/37/1182799237.db2.gz JCTNSMLYEMXUNR-ZIAGYGMSSA-N 1 0 313.398 0.859 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]C/C=C/Cl)CC1 ZINC001733883314 1186485397 /nfs/dbraw/zinc/48/53/97/1186485397.db2.gz MFZWGRLBUWBYAT-HOXXMDGGSA-N 1 0 317.773 0.347 20 5 DCBDRO CC(C)C[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001753341789 1188567858 /nfs/dbraw/zinc/56/78/58/1188567858.db2.gz HELVUCSNEGMBMT-ZIAGYGMSSA-N 1 0 312.414 0.384 20 5 DCBDRO Cc1nc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001164932863 721886527 /nfs/dbraw/zinc/88/65/27/721886527.db2.gz KDAPWALXYCRSHY-CHWSQXEVSA-N 1 0 320.397 0.908 20 5 DCBDRO C[NH+](C)CCC(=O)NC/C=C/CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001107490156 752082049 /nfs/dbraw/zinc/08/20/49/752082049.db2.gz UELAOHVRUAOTNJ-ONEGZZNKSA-N 1 0 323.353 0.731 20 5 DCBDRO COc1cc2ncnc(N3C[C@@H](O)[C@@H]([NH3+])C3)c2cc1[N+](=O)[O-] ZINC001167088985 746968336 /nfs/dbraw/zinc/96/83/36/746968336.db2.gz LJVJEZOVUQAXED-GZMMTYOYSA-N 1 0 305.294 0.055 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001207118533 747176420 /nfs/dbraw/zinc/17/64/20/747176420.db2.gz GUSZVFXRVNIXGP-CYBMUJFWSA-N 1 0 300.311 0.796 20 5 DCBDRO NC(=O)c1nc(-n2nc(C[NH3+])c3ccccc32)ccc1[N+](=O)[O-] ZINC001167695966 747751365 /nfs/dbraw/zinc/75/13/65/747751365.db2.gz SJFBLSOCHFLFIJ-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO O=C(CCn1ccnn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126263752 748348673 /nfs/dbraw/zinc/34/86/73/748348673.db2.gz CXXCXSPCBHLJBX-UHFFFAOYSA-N 1 0 324.366 0.544 20 5 DCBDRO Cn1oc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1=O ZINC001126292513 748386643 /nfs/dbraw/zinc/38/66/43/748386643.db2.gz UQUQWGNLMCNSOG-UHFFFAOYSA-N 1 0 320.305 0.406 20 5 DCBDRO COC(=O)c1cccc(OCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001118135155 754872847 /nfs/dbraw/zinc/87/28/47/754872847.db2.gz JXLJAQFSLQXEBE-UHFFFAOYSA-N 1 0 323.305 0.192 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cncs3)C[C@@H]2C1 ZINC001048814450 754957326 /nfs/dbraw/zinc/95/73/26/754957326.db2.gz LUWULQUTBCBRCV-LYIQGSDWSA-N 1 0 322.390 0.699 20 5 DCBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CNC(=O)CO2)c([N+](=O)[O-])c1 ZINC001170304888 762597107 /nfs/dbraw/zinc/59/71/07/762597107.db2.gz HIXOURMJVPPPDI-MFKMUULPSA-N 1 0 323.349 0.639 20 5 DCBDRO COC[C@]1(CO)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001170352482 762613656 /nfs/dbraw/zinc/61/36/56/762613656.db2.gz WEGQVGZRYQWZCO-CQSZACIVSA-N 1 0 311.338 0.087 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cc[n+]([O-])cc1 ZINC001123040801 767919150 /nfs/dbraw/zinc/91/91/50/767919150.db2.gz RRKJLKUFGSNUOU-UHFFFAOYSA-N 1 0 316.317 0.748 20 5 DCBDRO COC(=O)CC(CC(=O)OC)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168983721 760531168 /nfs/dbraw/zinc/53/11/68/760531168.db2.gz KWBKEOOCDYAZAX-NXEZZACHSA-N 1 0 302.327 0.516 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCCCC2)C1 ZINC001168968442 760534647 /nfs/dbraw/zinc/53/46/47/760534647.db2.gz ZDJXLSBQIYJZMS-OLZOCXBDSA-N 1 0 319.427 0.837 20 5 DCBDRO O=C([C@@H]1CCCO1)N1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009741 760543237 /nfs/dbraw/zinc/54/32/37/760543237.db2.gz XVOWEKGBPDOKMR-RDBSUJKOSA-N 1 0 311.382 0.755 20 5 DCBDRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001169018954 760559549 /nfs/dbraw/zinc/55/95/49/760559549.db2.gz FRTHXUIETCMLNB-KSTCHIGDSA-N 1 0 311.382 0.752 20 5 DCBDRO CC[C@H](C)[C@H](Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(N)=O ZINC001169159197 760598952 /nfs/dbraw/zinc/59/89/52/760598952.db2.gz OMKRPLBOFSVMEF-CBAPKCEASA-N 1 0 308.342 0.384 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001123493958 767986956 /nfs/dbraw/zinc/98/69/56/767986956.db2.gz CXYDIPOVQTYHPT-DOMZBBRYSA-N 1 0 318.377 0.942 20 5 DCBDRO [NH3+]CCc1nnn(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1 ZINC001156984502 761634707 /nfs/dbraw/zinc/63/47/07/761634707.db2.gz HDTVPXXPZMGAKU-UHFFFAOYSA-N 1 0 319.659 0.729 20 5 DCBDRO CC(C)(C(N)=O)C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001129931451 763053831 /nfs/dbraw/zinc/05/38/31/763053831.db2.gz XYFBUNHBQVCCMO-UHFFFAOYSA-N 1 0 314.367 0.374 20 5 DCBDRO CCOC(=O)c1cnc(NCCN(C)CC[NH3+])c([N+](=O)[O-])c1 ZINC001170497671 763345195 /nfs/dbraw/zinc/34/51/95/763345195.db2.gz NFASIZBKAMIMEG-UHFFFAOYSA-N 1 0 311.342 0.469 20 5 DCBDRO COc1nc(C)nc(NCCOCCOCC[NH3+])c1[N+](=O)[O-] ZINC001170504634 763388605 /nfs/dbraw/zinc/38/86/05/763388605.db2.gz CYWVWFDHBPTYPA-UHFFFAOYSA-N 1 0 315.330 0.106 20 5 DCBDRO Cn1cncc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001130896669 763560232 /nfs/dbraw/zinc/56/02/32/763560232.db2.gz KFDLKVVEPBAZBN-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO CCCC(=O)NCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124305398 768212000 /nfs/dbraw/zinc/21/20/00/768212000.db2.gz LMPSOLRTVZKUIF-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO CCO[C@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])C[NH+](C)C ZINC001133348741 764938440 /nfs/dbraw/zinc/93/84/40/764938440.db2.gz INWURBSDKRRWFQ-SNVBAGLBSA-N 1 0 313.358 0.508 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001170870060 766171414 /nfs/dbraw/zinc/17/14/14/766171414.db2.gz OBMUAUZCDNUEMX-NXEZZACHSA-N 1 0 310.310 0.100 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118203361 766254926 /nfs/dbraw/zinc/25/49/26/766254926.db2.gz HRXWZZKEWKNQQV-AWEZNQCLSA-N 1 0 320.349 0.537 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001118220980 766258517 /nfs/dbraw/zinc/25/85/17/766258517.db2.gz LZIRTPQCYOBQCC-YABSGUDNSA-N 1 0 301.306 0.279 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 ZINC001118337706 766294614 /nfs/dbraw/zinc/29/46/14/766294614.db2.gz SDDUPZNHQKOIHI-FOGDFJRCSA-N 1 0 323.353 0.676 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 ZINC001118337705 766294617 /nfs/dbraw/zinc/29/46/17/766294617.db2.gz SDDUPZNHQKOIHI-CKYFFXLPSA-N 1 0 323.353 0.676 20 5 DCBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001138061490 766416970 /nfs/dbraw/zinc/41/69/70/766416970.db2.gz QWENQTYOPNXZFE-CQSZACIVSA-N 1 0 311.313 0.839 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001118905171 766467640 /nfs/dbraw/zinc/46/76/40/766467640.db2.gz REUSOQNXHYHBEK-LLVKDONJSA-N 1 0 322.365 0.401 20 5 DCBDRO C[NH+]1CCC(N(CCO)C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001143821950 766714257 /nfs/dbraw/zinc/71/42/57/766714257.db2.gz JTQDMWGNUUKFEQ-UHFFFAOYSA-N 1 0 324.337 0.224 20 5 DCBDRO C[C@H]1CN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC001120484941 767035122 /nfs/dbraw/zinc/03/51/22/767035122.db2.gz KLIQOUGZJYGNRV-WFASDCNBSA-N 1 0 309.366 0.939 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001122411442 767795107 /nfs/dbraw/zinc/79/51/07/767795107.db2.gz JQQPVUJRIURNLA-CQSZACIVSA-N 1 0 307.354 0.844 20 5 DCBDRO C[NH+](C)CCCC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001094094129 768860580 /nfs/dbraw/zinc/86/05/80/768860580.db2.gz JGNCNGIDYMSSMD-UHFFFAOYSA-N 1 0 313.333 0.999 20 5 DCBDRO CC(=O)NCC(=O)NCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC001231268558 769212906 /nfs/dbraw/zinc/21/29/06/769212906.db2.gz FDMMEAJWGWINFT-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO COC(=O)c1ccc(C)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001234417817 769651829 /nfs/dbraw/zinc/65/18/29/769651829.db2.gz CXHYYDRZVBZXPF-LLVKDONJSA-N 1 0 311.358 0.539 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001175118400 769869560 /nfs/dbraw/zinc/86/95/60/769869560.db2.gz IXJSLDJPVCRCEA-AWEZNQCLSA-N 1 0 308.338 0.316 20 5 DCBDRO O=C(Cn1cncn1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175464620 769904713 /nfs/dbraw/zinc/90/47/13/769904713.db2.gz ILGILUNKVJSQHC-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH2+]CC2)n1 ZINC001154753105 770285710 /nfs/dbraw/zinc/28/57/10/770285710.db2.gz MEBYJJCTRALPFA-JTQLQIEISA-N 1 0 323.353 0.482 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ncc([N+](=O)[O-])c2ccccc21 ZINC001154765938 770287951 /nfs/dbraw/zinc/28/79/51/770287951.db2.gz NYDYLEPVNRRSAT-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001155153291 770415720 /nfs/dbraw/zinc/41/57/20/770415720.db2.gz PGGLJAPHHWGNIC-NSHDSACASA-N 1 0 312.301 0.846 20 5 DCBDRO COc1nc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155373441 770481154 /nfs/dbraw/zinc/48/11/54/770481154.db2.gz QNXYDJFTAZJGNT-GFCCVEGCSA-N 1 0 321.381 0.858 20 5 DCBDRO COc1cc(C)nc(NC[C@]23C[NH2+]C[C@H]2COC3)c1[N+](=O)[O-] ZINC001155517466 770532954 /nfs/dbraw/zinc/53/29/54/770532954.db2.gz VSAZCJQIARJUAQ-HZMBPMFUSA-N 1 0 308.338 0.955 20 5 DCBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)n1 ZINC001155571417 770548435 /nfs/dbraw/zinc/54/84/35/770548435.db2.gz SPPRAXZYRAMCNZ-QPUJVOFHSA-N 1 0 311.729 0.942 20 5 DCBDRO COc1nc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155592116 770558579 /nfs/dbraw/zinc/55/85/79/770558579.db2.gz MCKONPRYWYKDID-HZMBPMFUSA-N 1 0 323.353 0.964 20 5 DCBDRO Cn1cncc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458539 770759268 /nfs/dbraw/zinc/75/92/68/770759268.db2.gz KTHODSDOJPCCCL-ZIAGYGMSSA-N 1 0 323.397 0.852 20 5 DCBDRO COC(=O)c1ccnc(-n2c(C)ncc(C[NH3+])c2=N)c1[N+](=O)[O-] ZINC001156829670 770937764 /nfs/dbraw/zinc/93/77/64/770937764.db2.gz QHUHBIQIQWNBPM-UHFFFAOYSA-N 1 0 318.293 0.209 20 5 DCBDRO [NH3+]CCc1nnn(-c2ccc(-c3ccccc3[N+](=O)[O-])nn2)n1 ZINC001156989996 770994109 /nfs/dbraw/zinc/99/41/09/770994109.db2.gz QVEAJCXTKDTDNL-UHFFFAOYSA-N 1 0 312.293 0.529 20 5 DCBDRO Cc1nc(Cl)nc(-n2cncc2C[C@@H]([NH3+])CO)c1[N+](=O)[O-] ZINC001158203907 771740406 /nfs/dbraw/zinc/74/04/06/771740406.db2.gz SCJBQDKPUCWEKF-SSDOTTSWSA-N 1 0 312.717 0.394 20 5 DCBDRO COc1nc(NCc2ncn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001158355942 771763851 /nfs/dbraw/zinc/76/38/51/771763851.db2.gz IPOIWPDPWVNJBR-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO COc1nc(N2CC([N@H+](C)[C@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001158725208 771814190 /nfs/dbraw/zinc/81/41/90/771814190.db2.gz GFQDLFNKSGGFRO-VIFPVBQESA-N 1 0 309.326 0.303 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC2(C1)CCC[NH2+]C2 ZINC001159020100 771848292 /nfs/dbraw/zinc/84/82/92/771848292.db2.gz UBUAQUCBHSCDEH-UHFFFAOYSA-N 1 0 306.322 0.966 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001159885486 771973162 /nfs/dbraw/zinc/97/31/62/771973162.db2.gz OMIOCHFFRAKDCB-GDPRMGEGSA-N 1 0 305.338 0.642 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001161048603 772158528 /nfs/dbraw/zinc/15/85/28/772158528.db2.gz KSUVZDYPDIDGHJ-VXNVDRBHSA-N 1 0 307.310 0.293 20 5 DCBDRO Nc1cc(NC2CCN([C@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001161470698 772228766 /nfs/dbraw/zinc/22/87/66/772228766.db2.gz TWMBCTIVZPPTAA-NSHDSACASA-N 1 0 306.370 0.810 20 5 DCBDRO [NH3+]C1CCN(CCNc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001161867696 772291888 /nfs/dbraw/zinc/29/18/88/772291888.db2.gz WZNHTUIVWIWWGE-UHFFFAOYSA-N 1 0 310.314 0.733 20 5 DCBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@@H]1COCCC12C[NH2+]C2 ZINC001163082411 772457888 /nfs/dbraw/zinc/45/78/88/772457888.db2.gz QAASAUXGORAUIL-GFCCVEGCSA-N 1 0 318.333 0.629 20 5 DCBDRO COc1nc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc(C)c1[N+](=O)[O-] ZINC001163164028 772475557 /nfs/dbraw/zinc/47/55/57/772475557.db2.gz OQCVTFMWHDIMLT-MXWKQRLJSA-N 1 0 323.353 0.738 20 5 DCBDRO NC(=O)c1ccnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163316982 772505213 /nfs/dbraw/zinc/50/52/13/772505213.db2.gz RRGTZBJBKKVARB-LKFCYVNXSA-N 1 0 321.337 0.412 20 5 DCBDRO COc1c(F)cc(N(C)S(=O)(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC001164297232 772640641 /nfs/dbraw/zinc/64/06/41/772640641.db2.gz YZPXFVSKAKJLGI-UHFFFAOYSA-N 1 0 307.303 0.467 20 5 DCBDRO Cn1cc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001164490395 772667681 /nfs/dbraw/zinc/66/76/81/772667681.db2.gz HSDLRJRVJGHTGO-CHWSQXEVSA-N 1 0 321.381 0.461 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001165436560 772737511 /nfs/dbraw/zinc/73/75/11/772737511.db2.gz LDKHFFRIQCSKRL-ZETCQYMHSA-N 1 0 315.717 0.298 20 5 DCBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])c(C)c[n+]2[O-])CC[NH2+]CC1 ZINC001166923165 772880152 /nfs/dbraw/zinc/88/01/52/772880152.db2.gz ZUNXROJXXBLABH-UHFFFAOYSA-N 1 0 310.310 0.244 20 5 DCBDRO COC(=O)C1(Nc2ccc3ncc([N+](=O)[O-])n3c2)CC[NH2+]CC1 ZINC001166954411 772888813 /nfs/dbraw/zinc/88/88/13/772888813.db2.gz LYJIKTFMNMAYLX-UHFFFAOYSA-N 1 0 319.321 0.950 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001166961412 772889985 /nfs/dbraw/zinc/88/99/85/772889985.db2.gz INIDZRADANCNFO-PELKAZGASA-N 1 0 317.305 0.617 20 5 DCBDRO CN(CCC1OCCO1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167027478 772899860 /nfs/dbraw/zinc/89/98/60/772899860.db2.gz HIUOEVBACGHUNU-UHFFFAOYSA-N 1 0 309.326 0.271 20 5 DCBDRO NC(=[NH2+])NCCCCc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001204887883 772967868 /nfs/dbraw/zinc/96/78/68/772967868.db2.gz BDKHRLISCSHADG-UHFFFAOYSA-N 1 0 323.288 0.985 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC001215998192 774098052 /nfs/dbraw/zinc/09/80/52/774098052.db2.gz XVFIFBLLQAIJIC-AXFHLTTASA-N 1 0 305.338 0.873 20 5 DCBDRO COC(=O)c1ccnc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001223986528 775530320 /nfs/dbraw/zinc/53/03/20/775530320.db2.gz LAGCHUMMBIAJSJ-CYBMUJFWSA-N 1 0 311.358 0.369 20 5 DCBDRO COC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1F ZINC001226944545 775901094 /nfs/dbraw/zinc/90/10/94/775901094.db2.gz UUMHJSCHULWAKJ-SNVBAGLBSA-N 1 0 314.333 0.975 20 5 DCBDRO CCOC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nn1 ZINC001227132668 775935324 /nfs/dbraw/zinc/93/53/24/775935324.db2.gz GEDXXAYLONJLDX-SNVBAGLBSA-N 1 0 312.346 0.016 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc([N+](=O)[O-])c2nc[nH]c21 ZINC001227693240 775998171 /nfs/dbraw/zinc/99/81/71/775998171.db2.gz PUSMGDYPKQRGFC-MRVPVSSYSA-N 1 0 324.317 0.229 20 5 DCBDRO CCOC(=O)c1ncccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001229147199 776162743 /nfs/dbraw/zinc/16/27/43/776162743.db2.gz RBBOVJPGQMPUOH-LLVKDONJSA-N 1 0 311.358 0.621 20 5 DCBDRO CC(C)[N@H+](CCCNC(=O)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001317700144 945169767 /nfs/dbraw/zinc/16/97/67/945169767.db2.gz NAYCLEWCTIJXRT-UHFFFAOYSA-N 1 0 322.365 0.797 20 5 DCBDRO CCN(CC[NH2+]Cc1oc(C)nc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450386 940126947 /nfs/dbraw/zinc/12/69/47/940126947.db2.gz VMETYJFSNHIVPE-VXGBXAGGSA-N 1 0 310.354 0.895 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001246155713 945351297 /nfs/dbraw/zinc/35/12/97/945351297.db2.gz ZPUQGWJALJSMON-WDBKCZKBSA-N 1 0 304.350 0.694 20 5 DCBDRO COCCOCCOCCOCCO[C@H](C)C[N+](C)(C)C ZINC001224934391 942535469 /nfs/dbraw/zinc/53/54/69/942535469.db2.gz SOVRPQIVTPTOGG-OAHLLOKOSA-N 1 0 308.439 0.794 20 5 DCBDRO Cc1nc(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cs1 ZINC001483732617 942775748 /nfs/dbraw/zinc/77/57/48/942775748.db2.gz KRZPYMOFEXPCNW-VXGBXAGGSA-N 1 0 324.406 0.898 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246857627 945508160 /nfs/dbraw/zinc/50/81/60/945508160.db2.gz RIAQEJBSIGOONR-KBPBESRZSA-N 1 0 305.334 0.509 20 5 DCBDRO CC(C)(C)[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001319180872 945512751 /nfs/dbraw/zinc/51/27/51/945512751.db2.gz CKJQSGNXDADOMT-CYBMUJFWSA-N 1 0 311.386 0.568 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@H]2C[NH2+]CCN2)n1 ZINC001248362739 945600183 /nfs/dbraw/zinc/60/01/83/945600183.db2.gz NNAIFZMDUWCIII-QMMMGPOBSA-N 1 0 308.273 0.283 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001319591297 945626630 /nfs/dbraw/zinc/62/66/30/945626630.db2.gz HOTFMMZKZXXTSC-GHMZBOCLSA-N 1 0 320.349 0.498 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581654 946412493 /nfs/dbraw/zinc/41/24/93/946412493.db2.gz PRIDRKGZOQZODE-CQSZACIVSA-N 1 0 307.350 0.886 20 5 DCBDRO O=C(NCC1([NH2+]Cc2ccc(F)cn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001323438115 947081953 /nfs/dbraw/zinc/08/19/53/947081953.db2.gz VFIAWXPQEIEWBO-VXGBXAGGSA-N 1 0 308.313 0.624 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001325319419 947754202 /nfs/dbraw/zinc/75/42/02/947754202.db2.gz NUCOOTMFIAPCAY-JTQLQIEISA-N 1 0 308.338 0.956 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(OCC(=O)N2CC[NH2+]CC2)c1 ZINC001326052095 948034829 /nfs/dbraw/zinc/03/48/29/948034829.db2.gz LYJOUAIMEMCNCU-UHFFFAOYSA-N 1 0 323.305 0.192 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC001328462456 948910749 /nfs/dbraw/zinc/91/07/49/948910749.db2.gz SAUXTXCLLIQURK-UHFFFAOYSA-N 1 0 311.342 0.298 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001328965563 949245340 /nfs/dbraw/zinc/24/53/40/949245340.db2.gz KSOSDJTXJDEGDB-JTQLQIEISA-N 1 0 308.338 0.579 20 5 DCBDRO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329944705 949993902 /nfs/dbraw/zinc/99/39/02/949993902.db2.gz ARANKKCHGPCBQK-AAEUAGOBSA-N 1 0 316.317 0.010 20 5 DCBDRO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001330518720 950475597 /nfs/dbraw/zinc/47/55/97/950475597.db2.gz DWOLMYDGFWDNON-UHFFFAOYSA-N 1 0 318.333 0.161 20 5 DCBDRO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001330701113 950597360 /nfs/dbraw/zinc/59/73/60/950597360.db2.gz DKXHOLLAWIPVCB-SLEUVZQESA-N 1 0 316.361 0.851 20 5 DCBDRO CC(C)(C)[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001333688234 952133920 /nfs/dbraw/zinc/13/39/20/952133920.db2.gz FFRQQLYPWTUKDD-UHFFFAOYSA-N 1 0 324.385 0.917 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001334111431 952241910 /nfs/dbraw/zinc/24/19/10/952241910.db2.gz QJRLDPISKOIETQ-RYUDHWBXSA-N 1 0 307.354 0.843 20 5 DCBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001326492364 952634975 /nfs/dbraw/zinc/63/49/75/952634975.db2.gz XXOIRVZLKLTDEX-VIFPVBQESA-N 1 0 317.367 0.880 20 5 DCBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C[N+](=O)[O-])n1C ZINC001339539999 953101537 /nfs/dbraw/zinc/10/15/37/953101537.db2.gz AJWCZTWAIGWCNV-NSHDSACASA-N 1 0 324.385 0.281 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)COc1cccc([N+](=O)[O-])c1 ZINC001341572457 953238858 /nfs/dbraw/zinc/23/88/58/953238858.db2.gz FLIMLTSLFRTJQR-CYBMUJFWSA-N 1 0 323.349 0.811 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC001341640725 953242299 /nfs/dbraw/zinc/24/22/99/953242299.db2.gz RYUZIFNQPHNVCQ-LBPRGKRZSA-N 1 0 323.349 0.972 20 5 DCBDRO CN(CC(=O)N1CCNCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001342621385 953299230 /nfs/dbraw/zinc/29/92/30/953299230.db2.gz GMUNMQAAUNSRRU-UHFFFAOYSA-N 1 0 321.381 0.052 20 5 DCBDRO CC[N@@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CCOC)C[C@@H]1C ZINC001343165949 953325691 /nfs/dbraw/zinc/32/56/91/953325691.db2.gz MNPFDDBTIFJSHU-NSHDSACASA-N 1 0 312.374 0.232 20 5 DCBDRO O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001343258226 953332200 /nfs/dbraw/zinc/33/22/00/953332200.db2.gz PUIIMYMGDUPBLS-INIZCTEOSA-N 1 0 319.361 0.984 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001347539230 954115446 /nfs/dbraw/zinc/11/54/46/954115446.db2.gz IRQPDHOSIDLTPY-JHJVBQTASA-N 1 0 321.381 0.946 20 5 DCBDRO COc1c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC001348966364 954550120 /nfs/dbraw/zinc/55/01/20/954550120.db2.gz UZFFVQNKUMRYMU-OAHLLOKOSA-N 1 0 323.349 0.742 20 5 DCBDRO O=c1c(Br)cn(C[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001350007017 954962442 /nfs/dbraw/zinc/96/24/42/954962442.db2.gz RVWJVDMDIOQMBT-SSDOTTSWSA-N 1 0 318.127 0.507 20 5 DCBDRO C[NH+](C)CCNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001290147109 956835376 /nfs/dbraw/zinc/83/53/76/956835376.db2.gz ANNXQUMNIGFVFO-UHFFFAOYSA-N 1 0 304.310 0.467 20 5 DCBDRO CNc1c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC001298752558 958702960 /nfs/dbraw/zinc/70/29/60/958702960.db2.gz VBPDBWUMWNGGLZ-LLVKDONJSA-N 1 0 322.365 0.823 20 5 DCBDRO COCC[NH+](CCOC)C1CN(c2c([N+](=O)[O-])ncn2C)C1 ZINC001336679931 959997782 /nfs/dbraw/zinc/99/77/82/959997782.db2.gz SPQPKQHRYXHTTO-UHFFFAOYSA-N 1 0 313.358 0.112 20 5 DCBDRO Nc1c(C(=O)N2CC([NH2+]C3CCOCC3)C2)cccc1[N+](=O)[O-] ZINC001303646597 960061782 /nfs/dbraw/zinc/06/17/82/960061782.db2.gz PVOHKFWORPRCRE-UHFFFAOYSA-N 1 0 320.349 0.770 20 5 DCBDRO Cc1ccc(NC(=O)C2CN(C)CC[N@H+](C)C2)c(N)c1[N+](=O)[O-] ZINC001304496719 960088296 /nfs/dbraw/zinc/08/82/96/960088296.db2.gz CWICTHJEPBPQHV-UHFFFAOYSA-N 1 0 321.381 0.917 20 5 DCBDRO C[NH+](C)CC1(O)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001307177195 960142178 /nfs/dbraw/zinc/14/21/78/960142178.db2.gz CSAAERHBNVJHHZ-UHFFFAOYSA-N 1 0 322.365 0.587 20 5 DCBDRO C[C@@H]1C[N@H+](CCO)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307836071 960161970 /nfs/dbraw/zinc/16/19/70/960161970.db2.gz CHEQCXQHFSURLY-IUODEOHRSA-N 1 0 309.366 0.627 20 5 DCBDRO C[C@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001310449423 960224328 /nfs/dbraw/zinc/22/43/28/960224328.db2.gz RWPDIUOHSOROIS-LLVKDONJSA-N 1 0 322.369 0.169 20 5 DCBDRO CC1(C)C[C@H](O)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001473476853 1016936294 /nfs/dbraw/zinc/93/62/94/1016936294.db2.gz QIMDVQHNMWTGOR-CHWSQXEVSA-N 1 0 312.370 0.635 20 5 DCBDRO CN1C(=O)[C@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC001473725367 1016958826 /nfs/dbraw/zinc/95/88/26/1016958826.db2.gz OAEFSKUFUYXYSZ-FRRDWIJNSA-N 1 0 319.317 0.175 20 5 DCBDRO C[N@@H+]1C[C@@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001456161334 1010107308 /nfs/dbraw/zinc/10/73/08/1010107308.db2.gz XIGOGQKCKPMXBU-LLVKDONJSA-N 1 0 309.370 0.983 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC001543391290 1012515792 /nfs/dbraw/zinc/51/57/92/1012515792.db2.gz UASBXVRVVVGHOB-LLVKDONJSA-N 1 0 320.349 0.357 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3ncccn3)C2)c1 ZINC001460853396 1012981381 /nfs/dbraw/zinc/98/13/81/1012981381.db2.gz BXIFZVKUQZQIIY-AAEUAGOBSA-N 1 0 318.337 0.432 20 5 DCBDRO COC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278749664 214373972 /nfs/dbraw/zinc/37/39/72/214373972.db2.gz ASZAHGQKNHANEJ-JSGCOSHPSA-N 1 0 323.349 0.977 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000318369856 231170616 /nfs/dbraw/zinc/17/06/16/231170616.db2.gz IGEKANKABGISLF-VXGBXAGGSA-N 1 0 305.338 0.929 20 5 DCBDRO CC[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174368556 198325508 /nfs/dbraw/zinc/32/55/08/198325508.db2.gz BQLXNCPMAFANHN-RYUDHWBXSA-N 1 0 300.384 0.980 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000174501678 198342593 /nfs/dbraw/zinc/34/25/93/198342593.db2.gz SAFZQHAOYKOJIM-LBPRGKRZSA-N 1 0 309.370 0.900 20 5 DCBDRO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1([NH+](C)C)CCC1 ZINC000186972843 237336412 /nfs/dbraw/zinc/33/64/12/237336412.db2.gz FUMBEMLCBCVLMY-CYBMUJFWSA-N 1 0 311.386 0.568 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)CCC[NH3+])c([N+](=O)[O-])c1 ZINC000156857939 291226119 /nfs/dbraw/zinc/22/61/19/291226119.db2.gz IJRFKPDBJQCTLG-UHFFFAOYSA-N 1 0 303.340 0.573 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000566114632 291271213 /nfs/dbraw/zinc/27/12/13/291271213.db2.gz CSVFHWYKKNQKOB-DGCLKSJQSA-N 1 0 310.354 0.844 20 5 DCBDRO C[C@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000566123696 291272131 /nfs/dbraw/zinc/27/21/31/291272131.db2.gz CZTJNXRWSZRFJH-CMPLNLGQSA-N 1 0 321.337 0.814 20 5 DCBDRO Cc1c(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000415446776 239578857 /nfs/dbraw/zinc/57/88/57/239578857.db2.gz TXWBMOSCLJRFGQ-JTQLQIEISA-N 1 0 308.338 0.941 20 5 DCBDRO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000418764388 239836795 /nfs/dbraw/zinc/83/67/95/239836795.db2.gz AFHULEVXEYBTPK-CMPLNLGQSA-N 1 0 320.349 0.640 20 5 DCBDRO [NH3+]C1(CNS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000420429780 240026959 /nfs/dbraw/zinc/02/69/59/240026959.db2.gz UNKYTZZEINARPN-UHFFFAOYSA-N 1 0 313.379 0.938 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCC[C@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000567166201 291340605 /nfs/dbraw/zinc/34/06/05/291340605.db2.gz SMXTWYAJIHUIAO-SECBINFHSA-N 1 0 317.371 0.171 20 5 DCBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000567725652 291372858 /nfs/dbraw/zinc/37/28/58/291372858.db2.gz DJZLWUATDTWXIA-JTNHKYCSSA-N 1 0 309.370 0.367 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000264752406 204129237 /nfs/dbraw/zinc/12/92/37/204129237.db2.gz MJMBBJYXEJTWOQ-SECBINFHSA-N 1 0 306.326 0.789 20 5 DCBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274108541 211364383 /nfs/dbraw/zinc/36/43/83/211364383.db2.gz VKBZEEBMXIPGSF-CKYFFXLPSA-N 1 0 314.342 0.330 20 5 DCBDRO CC(C)(C)CC[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000064308890 184293869 /nfs/dbraw/zinc/29/38/69/184293869.db2.gz MLKVWEKOYGJAAY-UHFFFAOYSA-N 1 0 324.385 0.767 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000339298216 253055655 /nfs/dbraw/zinc/05/56/55/253055655.db2.gz NMLWKIMEDKVINL-UHFFFAOYSA-N 1 0 313.358 0.221 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000339416236 253081615 /nfs/dbraw/zinc/08/16/15/253081615.db2.gz ZCFSKKZYZNQWMO-LBPRGKRZSA-N 1 0 321.341 0.212 20 5 DCBDRO C[C@H](C[NH+](C)C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000346254905 254028458 /nfs/dbraw/zinc/02/84/58/254028458.db2.gz HIDLMWGQDNJDDR-SNVBAGLBSA-N 1 0 318.337 0.855 20 5 DCBDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000346695069 254083324 /nfs/dbraw/zinc/08/33/24/254083324.db2.gz YCVXWFFGKMNFEE-ADEWGFFLSA-N 1 0 312.326 0.036 20 5 DCBDRO Cc1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] ZINC000350780038 254325416 /nfs/dbraw/zinc/32/54/16/254325416.db2.gz DBOUKKJUTREGBC-GFCCVEGCSA-N 1 0 314.363 0.806 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000349954719 254305692 /nfs/dbraw/zinc/30/56/92/254305692.db2.gz YJBDHFYMROKNOM-NXEZZACHSA-N 1 0 308.338 0.567 20 5 DCBDRO C[C@H](CO)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000351522203 254343179 /nfs/dbraw/zinc/34/31/79/254343179.db2.gz JFIPEOXAWTVVGY-RISCZKNCSA-N 1 0 312.370 0.778 20 5 DCBDRO COC(=O)[C@H]1CSCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000331390029 533506855 /nfs/dbraw/zinc/50/68/55/533506855.db2.gz AKTNDAAEZWYPPD-SNVBAGLBSA-N 1 0 314.367 0.629 20 5 DCBDRO COC(=O)COc1ccc(CN[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414862993 533559022 /nfs/dbraw/zinc/55/90/22/533559022.db2.gz AHOFMLBKCOIWHU-NSHDSACASA-N 1 0 309.322 0.598 20 5 DCBDRO C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285112602 131139234 /nfs/dbraw/zinc/13/92/34/131139234.db2.gz KVTKOWUTIALTMP-SECBINFHSA-N 1 0 318.337 0.981 20 5 DCBDRO CC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000030014201 395701544 /nfs/dbraw/zinc/70/15/44/395701544.db2.gz FMVGXSSXCDONLM-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000108299996 395788024 /nfs/dbraw/zinc/78/80/24/395788024.db2.gz GSGAIKWVMVVCTL-NSHDSACASA-N 1 0 307.354 0.851 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103450995 395773182 /nfs/dbraw/zinc/77/31/82/395773182.db2.gz BLIXRJZSQRPTCE-UHFFFAOYSA-N 1 0 309.370 0.900 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093290 395858761 /nfs/dbraw/zinc/85/87/61/395858761.db2.gz XPWNIVCDWKUSON-QMMMGPOBSA-N 1 0 301.324 0.244 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000112918427 395825460 /nfs/dbraw/zinc/82/54/60/395825460.db2.gz MWCJGLMVWOKKKZ-UHFFFAOYSA-N 1 0 306.366 0.962 20 5 DCBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000114204058 395832805 /nfs/dbraw/zinc/83/28/05/395832805.db2.gz JQCYWHPHPYDLFV-SNVBAGLBSA-N 1 0 309.322 0.999 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000051762629 395854494 /nfs/dbraw/zinc/85/44/94/395854494.db2.gz QDKVXVXCRRHJQI-UHFFFAOYSA-N 1 0 306.366 0.801 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272503935 395895573 /nfs/dbraw/zinc/89/55/73/395895573.db2.gz OBISSYSFQSMJDC-RYUDHWBXSA-N 1 0 307.354 0.652 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272537028 395898296 /nfs/dbraw/zinc/89/82/96/395898296.db2.gz BPTIEYOUOFZOMT-DGCLKSJQSA-N 1 0 307.354 0.734 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000230735417 395881259 /nfs/dbraw/zinc/88/12/59/395881259.db2.gz LVERDOAVUXAHRE-GFCCVEGCSA-N 1 0 315.351 0.634 20 5 DCBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000058273886 395952403 /nfs/dbraw/zinc/95/24/03/395952403.db2.gz QCFOKBVZGHGSSE-LBPRGKRZSA-N 1 0 309.370 0.948 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])c(F)c2)CCO1 ZINC000274731570 395972030 /nfs/dbraw/zinc/97/20/30/395972030.db2.gz COBPFDCHCDEUPX-JTQLQIEISA-N 1 0 313.285 0.299 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000063744537 395981263 /nfs/dbraw/zinc/98/12/63/395981263.db2.gz BFCKTMAGYOFODB-UHFFFAOYSA-N 1 0 310.354 0.875 20 5 DCBDRO C[NH+](C)CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000247987719 395981569 /nfs/dbraw/zinc/98/15/69/395981569.db2.gz KUJPSSCTTMWARD-UHFFFAOYSA-N 1 0 318.337 0.857 20 5 DCBDRO O=C1NC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000154421719 396037528 /nfs/dbraw/zinc/03/75/28/396037528.db2.gz MOAAUIIEQLGWOI-CHWSQXEVSA-N 1 0 306.322 0.338 20 5 DCBDRO COc1ccc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261595006 396048253 /nfs/dbraw/zinc/04/82/53/396048253.db2.gz CJNGBWOLBGWGTN-WCBMZHEXSA-N 1 0 315.351 0.571 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261617431 396049503 /nfs/dbraw/zinc/04/95/03/396049503.db2.gz AYWARJCSTJXZJK-VHSXEESVSA-N 1 0 308.338 0.437 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261617433 396049738 /nfs/dbraw/zinc/04/97/38/396049738.db2.gz AYWARJCSTJXZJK-ZJUUUORDSA-N 1 0 308.338 0.437 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262001420 396089242 /nfs/dbraw/zinc/08/92/42/396089242.db2.gz HFRXXMZUUDTQAY-LLVKDONJSA-N 1 0 320.349 0.535 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)c2ccccc2)c1 ZINC000170846605 396098670 /nfs/dbraw/zinc/09/86/70/396098670.db2.gz IRSUXFVOQQVUNL-KGLIPLIRSA-N 1 0 306.322 0.475 20 5 DCBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261898524 396077526 /nfs/dbraw/zinc/07/75/26/396077526.db2.gz WHAHVYCJOLTHTA-SNVBAGLBSA-N 1 0 308.338 0.836 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H]([NH2+]C)C2)c([N+](=O)[O-])n1 ZINC000261946385 396082694 /nfs/dbraw/zinc/08/26/94/396082694.db2.gz FIIDNXJCSKFQPL-SECBINFHSA-N 1 0 317.371 0.184 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000262518278 396150056 /nfs/dbraw/zinc/15/00/56/396150056.db2.gz HGZCXUBNMMFZMU-VIFPVBQESA-N 1 0 322.321 0.746 20 5 DCBDRO CC[NH2+]CCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262543984 396153310 /nfs/dbraw/zinc/15/33/10/396153310.db2.gz YOVQBKALFOEUGY-UHFFFAOYSA-N 1 0 322.321 0.046 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@H]1CN2CCN1CC2 ZINC000178635814 396201601 /nfs/dbraw/zinc/20/16/01/396201601.db2.gz OLJPYMYBLSLQIK-AWEZNQCLSA-N 1 0 304.350 0.253 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000178679150 396204153 /nfs/dbraw/zinc/20/41/53/396204153.db2.gz KDZFEVQHUDQIBD-VIFPVBQESA-N 1 0 304.310 0.643 20 5 DCBDRO CCC[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000264058755 396252321 /nfs/dbraw/zinc/25/23/21/396252321.db2.gz CLHOJBLDVMTMRS-UHFFFAOYSA-N 1 0 308.338 0.311 20 5 DCBDRO C[N@H+](CCOCCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000282246723 396274974 /nfs/dbraw/zinc/27/49/74/396274974.db2.gz BVCHYPMHOCPLPF-GFCCVEGCSA-N 1 0 314.338 0.275 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000185091088 396316671 /nfs/dbraw/zinc/31/66/71/396316671.db2.gz CIIGJVOKEJWKTC-NWDGAFQWSA-N 1 0 310.310 0.459 20 5 DCBDRO CN(CC[NH+](C)C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000080685392 396284071 /nfs/dbraw/zinc/28/40/71/396284071.db2.gz CPRWUSHFLWGHEG-UHFFFAOYSA-N 1 0 302.356 0.240 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000264598984 396294413 /nfs/dbraw/zinc/29/44/13/396294413.db2.gz AZJWAMTVEGWNSO-UHFFFAOYSA-N 1 0 309.374 0.041 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000184845304 396308869 /nfs/dbraw/zinc/30/88/69/396308869.db2.gz CSSGFZJNQMBAFM-NWDGAFQWSA-N 1 0 320.349 0.827 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000269047695 396382761 /nfs/dbraw/zinc/38/27/61/396382761.db2.gz PFOBWPLDRNJFGF-MFKMUULPSA-N 1 0 322.369 0.573 20 5 DCBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC1(O)CCOCC1 ZINC000189776682 396398920 /nfs/dbraw/zinc/39/89/20/396398920.db2.gz OVVBVDOWODLMDF-UHFFFAOYSA-N 1 0 311.338 0.230 20 5 DCBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O ZINC000189955033 396400820 /nfs/dbraw/zinc/40/08/20/396400820.db2.gz KYKBIGJJXDURSG-GFCCVEGCSA-N 1 0 311.386 0.568 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)n1 ZINC000191817485 396424999 /nfs/dbraw/zinc/42/49/99/396424999.db2.gz TVOQVXPSHWKHOW-JTQLQIEISA-N 1 0 311.342 0.214 20 5 DCBDRO Cc1nccn1C[C@@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581066781 396523348 /nfs/dbraw/zinc/52/33/48/396523348.db2.gz XHJDQPWIGLBMHF-SMDDNHRTSA-N 1 0 322.369 0.583 20 5 DCBDRO C[C@@H](O)[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581245981 396536710 /nfs/dbraw/zinc/53/67/10/396536710.db2.gz COEFEOPJUDULLG-NXEZZACHSA-N 1 0 317.367 0.232 20 5 DCBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000595104048 396548883 /nfs/dbraw/zinc/54/88/83/396548883.db2.gz DAISHZKFPBOACT-ZJUUUORDSA-N 1 0 314.367 0.656 20 5 DCBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372956097 396556316 /nfs/dbraw/zinc/55/63/16/396556316.db2.gz OOPWZRGBZXJSJN-NEPJUHHUSA-N 1 0 321.333 0.893 20 5 DCBDRO CNc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000581566665 396565976 /nfs/dbraw/zinc/56/59/76/396565976.db2.gz WDWHLVIRBDMJAG-UHFFFAOYSA-N 1 0 307.354 0.272 20 5 DCBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373110614 396567114 /nfs/dbraw/zinc/56/71/14/396567114.db2.gz IWWKJUDCJJJXFA-QWRGUYRKSA-N 1 0 322.321 0.288 20 5 DCBDRO O=CN1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000294087090 396652600 /nfs/dbraw/zinc/65/26/00/396652600.db2.gz ATQJNMMDHKWGOH-ZDUSSCGKSA-N 1 0 323.349 0.499 20 5 DCBDRO O=C1CC[C@@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]2N1 ZINC000595729891 396652962 /nfs/dbraw/zinc/65/29/62/396652962.db2.gz WEXZYUTZODICTK-YPMHNXCESA-N 1 0 320.349 0.357 20 5 DCBDRO O=C(CC[NH+]1CCC(O)(CO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595734360 396653795 /nfs/dbraw/zinc/65/37/95/396653795.db2.gz YELRGOJDNKUGMJ-UHFFFAOYSA-N 1 0 323.349 0.743 20 5 DCBDRO C[C@H]1[NH2+]CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]1C ZINC000581884306 396590280 /nfs/dbraw/zinc/59/02/80/396590280.db2.gz DMXLSVFPEDADDJ-RKDXNWHRSA-N 1 0 300.340 0.361 20 5 DCBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3c[nH]nn3)C2)nc1 ZINC000595374503 396597484 /nfs/dbraw/zinc/59/74/84/396597484.db2.gz CXMWXESMOPNESO-NSHDSACASA-N 1 0 303.326 0.837 20 5 DCBDRO Cc1noc(CN(C)CCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000595402075 396603680 /nfs/dbraw/zinc/60/36/80/396603680.db2.gz USEXEPCRMCHBTB-UHFFFAOYSA-N 1 0 311.386 0.961 20 5 DCBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506437 396618947 /nfs/dbraw/zinc/61/89/47/396618947.db2.gz CHEYJHDBYCGYDQ-GJZGRUSLSA-N 1 0 323.397 0.570 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295198933 396685083 /nfs/dbraw/zinc/68/50/83/396685083.db2.gz JXHSJCWBDZGEAD-IMRBUKKESA-N 1 0 318.333 0.049 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595935618 396686766 /nfs/dbraw/zinc/68/67/66/396686766.db2.gz GVHVOACGEOQZEN-CHWSQXEVSA-N 1 0 309.322 0.454 20 5 DCBDRO COCC[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000562945910 396687058 /nfs/dbraw/zinc/68/70/58/396687058.db2.gz CYXBVMCZQABLHY-CQSZACIVSA-N 1 0 311.382 0.966 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860074 396695708 /nfs/dbraw/zinc/69/57/08/396695708.db2.gz CIPDAIOHXNHRRZ-QWRGUYRKSA-N 1 0 320.349 0.458 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)C[NH2+]C ZINC000595983008 396702851 /nfs/dbraw/zinc/70/28/51/396702851.db2.gz MKFNFUXJDLYTJW-WPRPVWTQSA-N 1 0 312.374 0.551 20 5 DCBDRO C[C@@]1(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000595993574 396704965 /nfs/dbraw/zinc/70/49/65/396704965.db2.gz YBPUAPUDRZOEEC-OAHLLOKOSA-N 1 0 320.349 0.583 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000596128527 396721528 /nfs/dbraw/zinc/72/15/28/396721528.db2.gz KQUJZLDMTLFCAP-AWEZNQCLSA-N 1 0 306.322 0.710 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563438378 396736113 /nfs/dbraw/zinc/73/61/13/396736113.db2.gz CZXPKKSARFZORE-CHWSQXEVSA-N 1 0 320.349 0.347 20 5 DCBDRO NC(=O)c1cc(N[C@@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000596250990 396744030 /nfs/dbraw/zinc/74/40/30/396744030.db2.gz WVIOOICAZFUFRG-GFCCVEGCSA-N 1 0 322.365 0.952 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000596263625 396747166 /nfs/dbraw/zinc/74/71/66/396747166.db2.gz IGVINPLIYWMTDU-UHFFFAOYSA-N 1 0 309.370 0.659 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1O ZINC000590385386 396766660 /nfs/dbraw/zinc/76/66/60/396766660.db2.gz NATBZDCXTXPDRT-RYUDHWBXSA-N 1 0 313.741 0.995 20 5 DCBDRO C[C@H](CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596427231 396771793 /nfs/dbraw/zinc/77/17/93/396771793.db2.gz BQTCHCCTLBVVME-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@H](CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[NH+](C)C ZINC000596430206 396773291 /nfs/dbraw/zinc/77/32/91/396773291.db2.gz KCNQNCBFJOWTEO-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@@](CO)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000322480697 396819641 /nfs/dbraw/zinc/81/96/41/396819641.db2.gz BQCKSFOBYXGLLO-GJZGRUSLSA-N 1 0 320.349 0.650 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000611200263 396833790 /nfs/dbraw/zinc/83/37/90/396833790.db2.gz ZLOZPKCLKJBCST-NSHDSACASA-N 1 0 323.353 0.645 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000611442799 396867009 /nfs/dbraw/zinc/86/70/09/396867009.db2.gz BMRZCUQKGOXVCO-AWEZNQCLSA-N 1 0 323.397 0.896 20 5 DCBDRO C[C@@H](O)[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000564204770 396815139 /nfs/dbraw/zinc/81/51/39/396815139.db2.gz UKEQROCUYBNKQW-NXEZZACHSA-N 1 0 317.367 0.232 20 5 DCBDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2nccn21 ZINC000564205561 396815278 /nfs/dbraw/zinc/81/52/78/396815278.db2.gz ZLQAMNCZGJJUHQ-YUSALJHKSA-N 1 0 306.326 0.644 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c1 ZINC000320956355 396816110 /nfs/dbraw/zinc/81/61/10/396816110.db2.gz VCWMNXYAELFXLT-OUCADQQQSA-N 1 0 312.370 0.541 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000331639536 396873773 /nfs/dbraw/zinc/87/37/73/396873773.db2.gz PIEPCKZVRVHHBF-MNOVXSKESA-N 1 0 307.354 0.819 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000591355921 396906556 /nfs/dbraw/zinc/90/65/56/396906556.db2.gz ALJZWVKRGJJWCZ-SMDDNHRTSA-N 1 0 322.365 0.895 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000591353238 396905587 /nfs/dbraw/zinc/90/55/87/396905587.db2.gz CTJTVLYNNURNCR-FZMZJTMJSA-N 1 0 322.365 0.895 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591419263 396917638 /nfs/dbraw/zinc/91/76/38/396917638.db2.gz UKIHHZUKJWBICK-JTQLQIEISA-N 1 0 320.349 0.549 20 5 DCBDRO O=C1NCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591735169 396993434 /nfs/dbraw/zinc/99/34/34/396993434.db2.gz WOXDKPQYUWXHPU-VXGBXAGGSA-N 1 0 323.349 0.450 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000601346062 397069971 /nfs/dbraw/zinc/06/99/71/397069971.db2.gz LQJQHAZLDDJUFG-QWRGUYRKSA-N 1 0 311.363 0.946 20 5 DCBDRO C[NH+](C)CC1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000597707321 397070709 /nfs/dbraw/zinc/07/07/09/397070709.db2.gz DHXYBSNPRFHKAC-UHFFFAOYSA-N 1 0 321.333 1.000 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601326363 397058244 /nfs/dbraw/zinc/05/82/44/397058244.db2.gz BDMQUNFJSLJHCX-NHCYSSNCSA-N 1 0 320.349 0.977 20 5 DCBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)sc2C1 ZINC000592244758 397137192 /nfs/dbraw/zinc/13/71/92/397137192.db2.gz AHFFRXKMGSYQOI-YFKPBYRVSA-N 1 0 308.323 0.843 20 5 DCBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000592294574 397144686 /nfs/dbraw/zinc/14/46/86/397144686.db2.gz DULKURYPGMVFKL-SECBINFHSA-N 1 0 307.306 0.787 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000592363354 397160507 /nfs/dbraw/zinc/16/05/07/397160507.db2.gz RITZXAPAJCPWRV-UHFFFAOYSA-N 1 0 315.351 0.715 20 5 DCBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592391480 397167945 /nfs/dbraw/zinc/16/79/45/397167945.db2.gz XYVWCTULNYBEFI-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(CO)CC2)cc1 ZINC000592430424 397175287 /nfs/dbraw/zinc/17/52/87/397175287.db2.gz NBGRFXRAGXWQSD-UHFFFAOYSA-N 1 0 314.363 0.731 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378167555 397203478 /nfs/dbraw/zinc/20/34/78/397203478.db2.gz CBEOGNHYDIMPFQ-RYUDHWBXSA-N 1 0 322.369 0.717 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000592555604 397213257 /nfs/dbraw/zinc/21/32/57/397213257.db2.gz XTFFWBCGRXZXML-VIFPVBQESA-N 1 0 313.335 0.633 20 5 DCBDRO CC(C)[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC[NH2+]1 ZINC000598571141 397249411 /nfs/dbraw/zinc/24/94/11/397249411.db2.gz GVUANWGBNVKNSI-LBPRGKRZSA-N 1 0 309.370 0.983 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](CO)C1CC1 ZINC000574204776 397243912 /nfs/dbraw/zinc/24/39/12/397243912.db2.gz MPDVESAGKCFISI-STQMWFEESA-N 1 0 310.350 0.943 20 5 DCBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000598669621 397272575 /nfs/dbraw/zinc/27/25/75/397272575.db2.gz KBXTVLVKMSISGS-IINYFYTJSA-N 1 0 306.322 0.096 20 5 DCBDRO CC(C)Oc1nc(N2CCN(C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000601980452 397279715 /nfs/dbraw/zinc/27/97/15/397279715.db2.gz XQQKTGUINCMAQR-NSHDSACASA-N 1 0 310.354 0.890 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)C2CCCCC2)c1 ZINC000386388349 397288059 /nfs/dbraw/zinc/28/80/59/397288059.db2.gz STUNWFMBJGVFKT-UONOGXRCSA-N 1 0 312.370 0.683 20 5 DCBDRO O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598916475 397307692 /nfs/dbraw/zinc/30/76/92/397307692.db2.gz ZJWHDGUGSDCLGP-SNVBAGLBSA-N 1 0 306.322 0.649 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1COCC[NH2+]1 ZINC000602551957 397437884 /nfs/dbraw/zinc/43/78/84/397437884.db2.gz PZIYTMNXYUXWMS-JTQLQIEISA-N 1 0 313.741 0.895 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000602428817 397397393 /nfs/dbraw/zinc/39/73/93/397397393.db2.gz KLHIWRFMAURSBY-UHFFFAOYSA-N 1 0 310.329 0.711 20 5 DCBDRO CC(=O)NC[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602768581 397480038 /nfs/dbraw/zinc/48/00/38/397480038.db2.gz KBKKEHXIGFBDAQ-CYBMUJFWSA-N 1 0 309.370 0.948 20 5 DCBDRO CC(=O)N1CC[C@@H](C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602794146 397487408 /nfs/dbraw/zinc/48/74/08/397487408.db2.gz GMUCXZMRGHTJNM-ZDUSSCGKSA-N 1 0 309.370 0.900 20 5 DCBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000599689299 397506032 /nfs/dbraw/zinc/50/60/32/397506032.db2.gz IRXHUEXNZQQLLH-ZDUSSCGKSA-N 1 0 322.365 0.747 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000599988547 397558154 /nfs/dbraw/zinc/55/81/54/397558154.db2.gz HMVMMAYVVVYEDV-HBYGRHMLSA-N 1 0 305.334 0.992 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000600000070 397559880 /nfs/dbraw/zinc/55/98/80/397559880.db2.gz LWVKPOHLSPBKJM-GDNZZTSVSA-N 1 0 307.354 0.545 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(CC)CC[NH3+] ZINC000599892446 397535745 /nfs/dbraw/zinc/53/57/45/397535745.db2.gz XFDOSIWMEKEZEY-UHFFFAOYSA-N 1 0 324.337 0.739 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1COCC[NH2+]1 ZINC000599921157 397540767 /nfs/dbraw/zinc/54/07/67/397540767.db2.gz DCIAPYKMZOKOJM-NSHDSACASA-N 1 0 324.337 0.261 20 5 DCBDRO C[NH2+]C[C@@](C)(O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579246432 397542923 /nfs/dbraw/zinc/54/29/23/397542923.db2.gz HIKBHUMDQPNUQO-CQSZACIVSA-N 1 0 309.370 0.082 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000579705555 397588983 /nfs/dbraw/zinc/58/89/83/397588983.db2.gz POLSMFSZBAMLOE-MRVWCRGKSA-N 1 0 310.354 0.699 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000608813938 397757501 /nfs/dbraw/zinc/75/75/01/397757501.db2.gz JPPMJNULKMEKHS-LLVKDONJSA-N 1 0 308.342 0.273 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000609352198 397772585 /nfs/dbraw/zinc/77/25/85/397772585.db2.gz PUWXITKBCSZCMS-LLVKDONJSA-N 1 0 323.353 0.003 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000165654559 158364582 /nfs/dbraw/zinc/36/45/82/158364582.db2.gz ZGLOIKDBYXVXQQ-LLVKDONJSA-N 1 0 315.351 0.251 20 5 DCBDRO CCOC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000233775856 158628982 /nfs/dbraw/zinc/62/89/82/158628982.db2.gz IGIVZINMXKYJJV-STQMWFEESA-N 1 0 300.359 0.803 20 5 DCBDRO COC(=O)COc1ccc(CN(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261915665 158752930 /nfs/dbraw/zinc/75/29/30/158752930.db2.gz JWFOLPFUTRBJNQ-GFCCVEGCSA-N 1 0 323.349 0.940 20 5 DCBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)C[NH+]1CCN(C)CC1 ZINC000330534027 159187628 /nfs/dbraw/zinc/18/76/28/159187628.db2.gz INMFKRLBTUCPDS-GFCCVEGCSA-N 1 0 323.397 0.547 20 5 DCBDRO NC(=O)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987632 159369458 /nfs/dbraw/zinc/36/94/58/159369458.db2.gz GLOTVNBQOJOCRQ-NWDGAFQWSA-N 1 0 323.349 0.532 20 5 DCBDRO CC[N@H+](CCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C(C)C ZINC000150917602 287031034 /nfs/dbraw/zinc/03/10/34/287031034.db2.gz FYTPIOZBBBXHFT-UHFFFAOYSA-N 1 0 312.374 0.821 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])Cc1cc(=O)n(C)c(=O)n1C ZINC000192640593 287059505 /nfs/dbraw/zinc/05/95/05/287059505.db2.gz OMMCXJJSEYDPKY-UHFFFAOYSA-N 1 0 318.333 0.624 20 5 DCBDRO C[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1ccccc1[N+](=O)[O-] ZINC000419147753 287268619 /nfs/dbraw/zinc/26/86/19/287268619.db2.gz JRYJKZDKZVHNJR-JTQLQIEISA-N 1 0 320.349 0.770 20 5 DCBDRO COC(=O)CNC(=O)c1ccc(NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420243531 287284815 /nfs/dbraw/zinc/28/48/15/287284815.db2.gz XVSMIGZLZDOOTP-UHFFFAOYSA-N 1 0 324.337 0.648 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268235259 415181974 /nfs/dbraw/zinc/18/19/74/415181974.db2.gz NWOWYESAALVYBY-JOYOIKCWSA-N 1 0 307.354 0.699 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000422885724 287301506 /nfs/dbraw/zinc/30/15/06/287301506.db2.gz VANKPLIJDFZEHB-GFCCVEGCSA-N 1 0 320.349 0.583 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000273044725 415300178 /nfs/dbraw/zinc/30/01/78/415300178.db2.gz PUCUWUSLPNNZLO-QWRGUYRKSA-N 1 0 320.349 0.439 20 5 DCBDRO Cn1c(C(=O)N[C@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000352866144 415350384 /nfs/dbraw/zinc/35/03/84/415350384.db2.gz KFXVCTPUZGDWHW-NSHDSACASA-N 1 0 310.354 0.510 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278083361 415481475 /nfs/dbraw/zinc/48/14/75/415481475.db2.gz HMTUGVOFYDUNCQ-KCJUWKMLSA-N 1 0 306.322 0.908 20 5 DCBDRO COC[C@](C)(CC(=O)OC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000088545914 415517919 /nfs/dbraw/zinc/51/79/19/415517919.db2.gz WODWJZJQXOQZHE-LBPRGKRZSA-N 1 0 300.315 0.349 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000106921871 415657022 /nfs/dbraw/zinc/65/70/22/415657022.db2.gz ZWCPBNRSUIEHLL-SNVBAGLBSA-N 1 0 323.353 0.061 20 5 DCBDRO Cc1n[nH]c(C(=O)NC2(CCO)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000354145078 415769100 /nfs/dbraw/zinc/76/91/00/415769100.db2.gz YIXDFLZHKFURRS-UHFFFAOYSA-N 1 0 311.342 0.203 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000297048020 415948779 /nfs/dbraw/zinc/94/87/79/415948779.db2.gz TYIYRNJPZVEQJL-UHFFFAOYSA-N 1 0 323.349 0.790 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000356738899 415979144 /nfs/dbraw/zinc/97/91/44/415979144.db2.gz FRFUMAKZVGLXBO-QWRGUYRKSA-N 1 0 307.354 0.885 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C2CC2)CC1 ZINC000132954738 415939109 /nfs/dbraw/zinc/93/91/09/415939109.db2.gz DAUWVIXTBAONDL-UHFFFAOYSA-N 1 0 322.369 0.717 20 5 DCBDRO COC[C@]1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000357282403 416056079 /nfs/dbraw/zinc/05/60/79/416056079.db2.gz DPRWVPMWIYZFJM-OAHLLOKOSA-N 1 0 323.349 0.858 20 5 DCBDRO COCC[NH2+]CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000174484781 416079180 /nfs/dbraw/zinc/07/91/80/416079180.db2.gz QOYITDZZQSRBCV-UHFFFAOYSA-N 1 0 322.365 0.479 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000174853912 416087291 /nfs/dbraw/zinc/08/72/91/416087291.db2.gz LPTKKLZNNIHKJM-LLVKDONJSA-N 1 0 314.367 0.443 20 5 DCBDRO CCS(=O)(=O)C[C@@H](C)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174861384 416088857 /nfs/dbraw/zinc/08/88/57/416088857.db2.gz MUJQRQOHXFCLSI-SNVBAGLBSA-N 1 0 304.372 0.546 20 5 DCBDRO CC(C)(C(=O)NCC[N@H+]1CC=CCC1)n1cc([N+](=O)[O-])cn1 ZINC000357602008 416104174 /nfs/dbraw/zinc/10/41/74/416104174.db2.gz BCRHRNNYSIHASG-UHFFFAOYSA-N 1 0 307.354 0.905 20 5 DCBDRO C[NH+](C)CCn1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000338648790 416121951 /nfs/dbraw/zinc/12/19/51/416121951.db2.gz ZTPXGWCAHXSABH-UHFFFAOYSA-N 1 0 321.341 0.578 20 5 DCBDRO [NH3+]CCCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000357807785 416135414 /nfs/dbraw/zinc/13/54/14/416135414.db2.gz MEIUOBURFJGIJS-UHFFFAOYSA-N 1 0 323.353 0.249 20 5 DCBDRO CCc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358059764 416183390 /nfs/dbraw/zinc/18/33/90/416183390.db2.gz DMSGRWGEUKIHGO-OAHLLOKOSA-N 1 0 307.350 0.954 20 5 DCBDRO C[NH+](C)CCNC(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182597185 416225805 /nfs/dbraw/zinc/22/58/05/416225805.db2.gz SJSLBBAMCFUHFE-ZDUSSCGKSA-N 1 0 306.322 0.766 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000342046828 416272057 /nfs/dbraw/zinc/27/20/57/416272057.db2.gz KOIJAQILIDXZOS-RDBSUJKOSA-N 1 0 310.354 0.796 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359308289 416321175 /nfs/dbraw/zinc/32/11/75/416321175.db2.gz PJPLTBIJMITEMT-VXGBXAGGSA-N 1 0 304.350 0.993 20 5 DCBDRO C[NH+](C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000359516761 416348726 /nfs/dbraw/zinc/34/87/26/416348726.db2.gz MXJPIOODMFUBIA-NEPJUHHUSA-N 1 0 312.301 0.873 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415634224 416349952 /nfs/dbraw/zinc/34/99/52/416349952.db2.gz SAJKLNHELSPLTJ-UHFFFAOYSA-N 1 0 311.317 0.761 20 5 DCBDRO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415622617 416350068 /nfs/dbraw/zinc/35/00/68/416350068.db2.gz DBNZAVZGZBPPSV-SNVBAGLBSA-N 1 0 324.312 0.931 20 5 DCBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000359778375 416358108 /nfs/dbraw/zinc/35/81/08/416358108.db2.gz NVUVCUQDBHGUNH-GFCCVEGCSA-N 1 0 324.381 0.993 20 5 DCBDRO Cc1cc(C(=O)NCCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000237723653 416328502 /nfs/dbraw/zinc/32/85/02/416328502.db2.gz GIUWOTWTNWHHKZ-UHFFFAOYSA-N 1 0 306.366 0.928 20 5 DCBDRO C[NH2+]CCN(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000420331850 416418600 /nfs/dbraw/zinc/41/86/00/416418600.db2.gz AVDRVTFUQLJDPR-UHFFFAOYSA-N 1 0 310.310 0.413 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000420276777 416417968 /nfs/dbraw/zinc/41/79/68/416417968.db2.gz HGMKHSWDAMBVLS-NSHDSACASA-N 1 0 305.294 1.045 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N1CCC[NH2+]CC1 ZINC000418864740 416392322 /nfs/dbraw/zinc/39/23/22/416392322.db2.gz ISEUXJPXOPYTRT-UHFFFAOYSA-N 1 0 320.349 0.075 20 5 DCBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000420279993 416418074 /nfs/dbraw/zinc/41/80/74/416418074.db2.gz PSGCJSMFDMJVCP-LLVKDONJSA-N 1 0 302.338 1.063 20 5 DCBDRO C[C@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000594291386 416557460 /nfs/dbraw/zinc/55/74/60/416557460.db2.gz UOEXVWXASBMYEW-VIFPVBQESA-N 1 0 307.354 1.032 20 5 DCBDRO Cc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000541053165 416603549 /nfs/dbraw/zinc/60/35/49/416603549.db2.gz GGOYDMXLRMHGJU-DZGCQCFKSA-N 1 0 320.349 0.784 20 5 DCBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000439076365 416607395 /nfs/dbraw/zinc/60/73/95/416607395.db2.gz IXCWTRGEFPWFLP-LLVKDONJSA-N 1 0 310.354 0.603 20 5 DCBDRO O=[N+]([O-])c1ccc2ncnc(NCC[N@H+]3CC[C@@H](O)C3)c2c1 ZINC000599176807 416609755 /nfs/dbraw/zinc/60/97/55/416609755.db2.gz ZGNZTPBOONNGBC-LLVKDONJSA-N 1 0 303.322 1.017 20 5 DCBDRO O=[N+]([O-])c1ccc2ncnc(NCC[N@H+]3CC[C@H](O)C3)c2c1 ZINC000599200171 416610370 /nfs/dbraw/zinc/61/03/70/416610370.db2.gz ZGNZTPBOONNGBC-NSHDSACASA-N 1 0 303.322 1.017 20 5 DCBDRO Nc1nc(NCC2CC[NH+](CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000596561723 416583908 /nfs/dbraw/zinc/58/39/08/416583908.db2.gz GGGWKILBXFXORU-UHFFFAOYSA-N 1 0 306.370 0.923 20 5 DCBDRO C[C@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000423894111 416584012 /nfs/dbraw/zinc/58/40/12/416584012.db2.gz DLSSOPPUKWYXJR-VXGBXAGGSA-N 1 0 309.370 0.933 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000442516249 416696158 /nfs/dbraw/zinc/69/61/58/416696158.db2.gz KAPZYMFNZPMQPR-NSHDSACASA-N 1 0 308.342 0.177 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000425724111 416724176 /nfs/dbraw/zinc/72/41/76/416724176.db2.gz DUMYAUACKRNPSN-WCQYABFASA-N 1 0 322.369 0.527 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000516458785 416725228 /nfs/dbraw/zinc/72/52/28/416725228.db2.gz LCCSPQLTADJOPP-JGZJWPJOSA-N 1 0 300.336 0.481 20 5 DCBDRO CCC[C@@]1(CO)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444771150 416869179 /nfs/dbraw/zinc/86/91/79/416869179.db2.gz IESQXTFIBVANRA-KBPBESRZSA-N 1 0 312.370 0.779 20 5 DCBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000444801115 416872501 /nfs/dbraw/zinc/87/25/01/416872501.db2.gz VXSXVAIDGZGMCZ-FZMZJTMJSA-N 1 0 312.370 0.984 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428135853 416877963 /nfs/dbraw/zinc/87/79/63/416877963.db2.gz RVCQFVFRDDIYFX-MNOVXSKESA-N 1 0 324.385 0.695 20 5 DCBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1CC(C)(C)O ZINC000444545757 416848652 /nfs/dbraw/zinc/84/86/52/416848652.db2.gz LKKJSPKFHFVMQF-NSHDSACASA-N 1 0 324.381 0.851 20 5 DCBDRO [NH3+]CCn1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)nn1 ZINC000520431076 416963987 /nfs/dbraw/zinc/96/39/87/416963987.db2.gz YWHSVHUOCXYQPM-UHFFFAOYSA-N 1 0 316.321 0.344 20 5 DCBDRO Cc1nn(CCC(=O)N2CCC[C@@H](C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000428526343 416907192 /nfs/dbraw/zinc/90/71/92/416907192.db2.gz RYLUATBUKRYETP-LBPRGKRZSA-N 1 0 309.370 0.996 20 5 DCBDRO O=C(NCCC[NH2+]C1CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000519636617 416922809 /nfs/dbraw/zinc/92/28/09/416922809.db2.gz ZEDDUZRXCKRBGY-UHFFFAOYSA-N 1 0 320.349 0.469 20 5 DCBDRO CNS(=O)(=O)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449272971 417132219 /nfs/dbraw/zinc/13/22/19/417132219.db2.gz XREOQLUVODWHPG-JTQLQIEISA-N 1 0 301.368 0.665 20 5 DCBDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000449354607 417138694 /nfs/dbraw/zinc/13/86/94/417138694.db2.gz PPWNSQZTRLQKQE-NQBHXWOUSA-N 1 0 319.365 0.858 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449608927 417158029 /nfs/dbraw/zinc/15/80/29/417158029.db2.gz LLILJRAXHHUHBZ-JTQLQIEISA-N 1 0 309.322 0.762 20 5 DCBDRO O=C1CNC(=O)N1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569744158 417289351 /nfs/dbraw/zinc/28/93/51/417289351.db2.gz RSVYLJKBBSSVFM-LLVKDONJSA-N 1 0 304.306 0.724 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000433301483 417252533 /nfs/dbraw/zinc/25/25/33/417252533.db2.gz GGLWYIRUGWRRTH-QWHCGFSZSA-N 1 0 310.354 0.532 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000415316697 417364768 /nfs/dbraw/zinc/36/47/68/417364768.db2.gz OKQNXIYGHQIPMA-SNVBAGLBSA-N 1 0 306.322 0.710 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415369825 417376140 /nfs/dbraw/zinc/37/61/40/417376140.db2.gz PNJIJROGISGFOF-UHFFFAOYSA-N 1 0 308.338 0.876 20 5 DCBDRO COC[C@]1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CCC[NH2+]1 ZINC000415379861 417377452 /nfs/dbraw/zinc/37/74/52/417377452.db2.gz FYWLQRDUYDPBHY-CYBMUJFWSA-N 1 0 309.326 0.302 20 5 DCBDRO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000439011515 287380549 /nfs/dbraw/zinc/38/05/49/287380549.db2.gz ZEOFDLXPEHNLJE-GFCCVEGCSA-N 1 0 322.365 0.605 20 5 DCBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NCCN1CC[NH2+]CC1 ZINC000237724289 261162501 /nfs/dbraw/zinc/16/25/01/261162501.db2.gz PESLCSQGCQDJAL-DUXPYHPUSA-N 1 0 322.340 0.769 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354224165 261192669 /nfs/dbraw/zinc/19/26/69/261192669.db2.gz VVAWYBJJHIYGRH-ADEWGFFLSA-N 1 0 323.353 0.642 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354224167 261192825 /nfs/dbraw/zinc/19/28/25/261192825.db2.gz VVAWYBJJHIYGRH-USWWRNFRSA-N 1 0 323.353 0.642 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354501456 261227850 /nfs/dbraw/zinc/22/78/50/261227850.db2.gz DKMVQWNNBKUEQC-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000354950258 261292165 /nfs/dbraw/zinc/29/21/65/261292165.db2.gz FBWRUMIXGCCQAJ-LBPRGKRZSA-N 1 0 309.370 0.900 20 5 DCBDRO CC[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CCOC ZINC000355939991 261377663 /nfs/dbraw/zinc/37/76/63/261377663.db2.gz YKKMZMZURSYFCK-LBPRGKRZSA-N 1 0 311.386 0.871 20 5 DCBDRO COC[C@@]1(CNC(=O)COc2cccc([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000357282401 261523337 /nfs/dbraw/zinc/52/33/37/261523337.db2.gz DPRWVPMWIYZFJM-HNNXBMFYSA-N 1 0 323.349 0.858 20 5 DCBDRO CC[NH2+]CCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418324257 262274598 /nfs/dbraw/zinc/27/45/98/262274598.db2.gz JMXAUENKMMDGIK-UHFFFAOYSA-N 1 0 308.338 0.977 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418792235 262290154 /nfs/dbraw/zinc/29/01/54/262290154.db2.gz ZQBNVOLVMZGOJS-PWSUYJOCSA-N 1 0 320.349 0.722 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418923258 262298794 /nfs/dbraw/zinc/29/87/94/262298794.db2.gz MSTQQWLFTYIKHW-CYBMUJFWSA-N 1 0 320.349 0.203 20 5 DCBDRO C[NH2+]CCNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000419880878 262351661 /nfs/dbraw/zinc/35/16/61/262351661.db2.gz VJMALMDVCRODTQ-UHFFFAOYSA-N 1 0 320.349 0.421 20 5 DCBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000420464670 262374220 /nfs/dbraw/zinc/37/42/20/262374220.db2.gz KISJDNSICHOSMY-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420598980 262378219 /nfs/dbraw/zinc/37/82/19/262378219.db2.gz KLARDIIOGPJADF-NSHDSACASA-N 1 0 321.381 0.742 20 5 DCBDRO C[N@H+](CCCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000421006068 262389744 /nfs/dbraw/zinc/38/97/44/262389744.db2.gz GSKHKYTVSFLLJC-UHFFFAOYSA-N 1 0 317.367 0.187 20 5 DCBDRO COC[C@]1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000422940632 262423976 /nfs/dbraw/zinc/42/39/76/262423976.db2.gz SZNWXKKWCLFENK-HNNXBMFYSA-N 1 0 322.365 0.749 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000359502839 271123172 /nfs/dbraw/zinc/12/31/72/271123172.db2.gz MFMJBUFZAZQHLE-UHFFFAOYSA-N 1 0 307.314 0.339 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419266180 271280991 /nfs/dbraw/zinc/28/09/91/271280991.db2.gz GROJNBLIDXKBBA-WDEREUQCSA-N 1 0 322.365 0.805 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000422791352 271385763 /nfs/dbraw/zinc/38/57/63/271385763.db2.gz UWFWNDYLRIWPJO-GFCCVEGCSA-N 1 0 320.349 0.501 20 5 DCBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000459755172 272007836 /nfs/dbraw/zinc/00/78/36/272007836.db2.gz JSQWGMIDMFPLBO-YNEHKIRRSA-N 1 0 310.354 0.699 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494890477 272233628 /nfs/dbraw/zinc/23/36/28/272233628.db2.gz NNJOJZDJWIPOFS-NWDGAFQWSA-N 1 0 307.354 0.700 20 5 DCBDRO CC(C)(C(=O)N[C@@H](CC[NH3+])C(F)F)n1cc([N+](=O)[O-])cn1 ZINC000516928448 272451202 /nfs/dbraw/zinc/45/12/02/272451202.db2.gz UEUKVYGXMBQPPR-QMMMGPOBSA-N 1 0 305.285 0.625 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000174732136 274270935 /nfs/dbraw/zinc/27/09/35/274270935.db2.gz DEOFCKCHGTXLPD-GHMZBOCLSA-N 1 0 322.365 0.585 20 5 DCBDRO C[C@@H]1CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000450794029 274363463 /nfs/dbraw/zinc/36/34/63/274363463.db2.gz RGYBLNJITHBPFG-PHIMTYICSA-N 1 0 322.365 0.585 20 5 DCBDRO C[C@H](C[NH+](C)C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000343797273 279280738 /nfs/dbraw/zinc/28/07/38/279280738.db2.gz TXUVGNZGGOSTCR-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000548747379 288172840 /nfs/dbraw/zinc/17/28/40/288172840.db2.gz FEPUNASFHOBVGC-JTQLQIEISA-N 1 0 309.326 0.112 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000157643246 280354060 /nfs/dbraw/zinc/35/40/60/280354060.db2.gz OGNKZHMZFMKCJA-QMMMGPOBSA-N 1 0 303.315 0.764 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCn2cccn2)c1 ZINC000552513805 288276512 /nfs/dbraw/zinc/27/65/12/288276512.db2.gz FVCJXXRJEKVTII-ZDUSSCGKSA-N 1 0 306.322 0.821 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC000261631359 295195077 /nfs/dbraw/zinc/19/50/77/295195077.db2.gz HPOFGJMPAJICAW-PSASIEDQSA-N 1 0 315.351 0.714 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCNc1cc[nH+]cc1 ZINC000344684034 303594151 /nfs/dbraw/zinc/59/41/51/303594151.db2.gz IAJHNOJJUOZFMR-UHFFFAOYSA-N 1 0 304.310 0.227 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000570082112 332709256 /nfs/dbraw/zinc/70/92/56/332709256.db2.gz QFFFAZAUHICJNR-GFCCVEGCSA-N 1 0 316.321 0.359 20 5 DCBDRO C[C@@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583084017 337237600 /nfs/dbraw/zinc/23/76/00/337237600.db2.gz RHTMXAPMRDGTGP-BDAKNGLRSA-N 1 0 300.340 0.348 20 5 DCBDRO Cc1cc(C)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000397077177 337247583 /nfs/dbraw/zinc/24/75/83/337247583.db2.gz DHEUDWOOXQVYSX-CQSZACIVSA-N 1 0 305.338 0.954 20 5 DCBDRO COc1ccc(CC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000577171759 341893458 /nfs/dbraw/zinc/89/34/58/341893458.db2.gz DGLXRSVAXOCWDH-LBPRGKRZSA-N 1 0 322.365 0.166 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577749859 341934423 /nfs/dbraw/zinc/93/44/23/341934423.db2.gz ZEUXOSCBQUQHRJ-CHWSQXEVSA-N 1 0 321.381 0.948 20 5 DCBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000157514151 519286220 /nfs/dbraw/zinc/28/62/20/519286220.db2.gz SYAZVUGUMPVQGS-AWEZNQCLSA-N 1 0 310.354 0.636 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000267089476 524059514 /nfs/dbraw/zinc/05/95/14/524059514.db2.gz IBPATYYPMRKHLK-UHFFFAOYSA-N 1 0 322.365 0.735 20 5 DCBDRO CSc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000125801580 525964741 /nfs/dbraw/zinc/96/47/41/525964741.db2.gz OCLQYVUWAZJQRA-UHFFFAOYSA-N 1 0 324.406 0.952 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCCCN1CC[NH2+]CC1 ZINC000237994379 526967087 /nfs/dbraw/zinc/96/70/87/526967087.db2.gz NSMWKDXSEOECSM-UHFFFAOYSA-N 1 0 322.365 0.385 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265974731 527378270 /nfs/dbraw/zinc/37/82/70/527378270.db2.gz JVJUNZRJUZBMKB-LBPRGKRZSA-N 1 0 307.354 0.736 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000154364506 527403584 /nfs/dbraw/zinc/40/35/84/527403584.db2.gz MDMWEMTWECPMOX-ZDUSSCGKSA-N 1 0 311.363 0.969 20 5 DCBDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993133 528744685 /nfs/dbraw/zinc/74/46/85/528744685.db2.gz STZMMYGPGPPWIV-KBPBESRZSA-N 1 0 311.386 0.424 20 5 DCBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285544630 535162964 /nfs/dbraw/zinc/16/29/64/535162964.db2.gz DMXJVGHQRPXCHW-UHFFFAOYSA-N 1 0 311.342 0.283 20 5 DCBDRO CN1CCO[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000121110556 536436710 /nfs/dbraw/zinc/43/67/10/536436710.db2.gz JMGUUYSJIVSABL-LSDHHAIUSA-N 1 0 307.350 0.988 20 5 DCBDRO C[NH+](C)C1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736764359 598722294 /nfs/dbraw/zinc/72/22/94/598722294.db2.gz PSXZMKKIMRBAOG-UHFFFAOYSA-N 1 0 318.341 0.700 20 5 DCBDRO C[NH+](C)C[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821583368 606710627 /nfs/dbraw/zinc/71/06/27/606710627.db2.gz SPRBFGPKBIDABR-VIFPVBQESA-N 1 0 318.341 0.558 20 5 DCBDRO Cc1ccc(CNC(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000891972988 658031975 /nfs/dbraw/zinc/03/19/75/658031975.db2.gz NNRMOIDUTQORAF-UHFFFAOYSA-N 1 0 321.381 0.608 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@@H]2CC2CC2)c1 ZINC000933211070 658561069 /nfs/dbraw/zinc/56/10/69/658561069.db2.gz YTJJMRXCROQEEN-GXTWGEPZSA-N 1 0 310.354 0.653 20 5 DCBDRO CCc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001022063693 658813968 /nfs/dbraw/zinc/81/39/68/658813968.db2.gz HNYMDQKGEITUIA-WRWGMCAJSA-N 1 0 322.365 0.947 20 5 DCBDRO Cc1conc1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025778628 659555112 /nfs/dbraw/zinc/55/51/12/659555112.db2.gz VCFZGVJACCANPO-QTCIEIIFSA-N 1 0 306.322 0.195 20 5 DCBDRO C[NH+]1CCC2(CCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000893752069 661404777 /nfs/dbraw/zinc/40/47/77/661404777.db2.gz JRLUUQUINDPHGC-UHFFFAOYSA-N 1 0 322.369 0.671 20 5 DCBDRO C[C@H]([NH3+])CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000261715429 661536978 /nfs/dbraw/zinc/53/69/78/661536978.db2.gz DTHJLMUHTQRVIJ-NSHDSACASA-N 1 0 320.349 0.617 20 5 DCBDRO CCc1nc(CNC[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC000983648949 661996999 /nfs/dbraw/zinc/99/69/99/661996999.db2.gz MYBYZEKZUIVIGN-GWOFURMSSA-N 1 0 323.353 0.282 20 5 DCBDRO Cc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC000983649789 661997111 /nfs/dbraw/zinc/99/71/11/661997111.db2.gz RXHMFZHWXDSDLT-DDHJBXDOSA-N 1 0 308.338 0.633 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983656635 662001861 /nfs/dbraw/zinc/00/18/61/662001861.db2.gz FSJMFHWICGJKER-CNVPUSNMSA-N 1 0 310.379 0.793 20 5 DCBDRO C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896556075 662289981 /nfs/dbraw/zinc/28/99/81/662289981.db2.gz NZGFRICXEJZCJZ-YGRLFVJLSA-N 1 0 322.365 0.665 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)n1 ZINC000898834392 663109696 /nfs/dbraw/zinc/10/96/96/663109696.db2.gz IHOTZWGWVHURHI-GHMZBOCLSA-N 1 0 307.354 0.931 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000899737599 663184520 /nfs/dbraw/zinc/18/45/20/663184520.db2.gz LOXGQUDVEGVTEM-UHFFFAOYSA-N 1 0 317.292 0.727 20 5 DCBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000912000148 664131538 /nfs/dbraw/zinc/13/15/38/664131538.db2.gz AZKSAPFSWHVTIR-RYUDHWBXSA-N 1 0 304.350 0.838 20 5 DCBDRO CC(=O)OC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153564972 664886070 /nfs/dbraw/zinc/88/60/70/664886070.db2.gz BVEYRLYEJONWQT-GFCCVEGCSA-N 1 0 312.326 0.180 20 5 DCBDRO Cc1ncc(C[NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000917094934 665115592 /nfs/dbraw/zinc/11/55/92/665115592.db2.gz OPRLNTDODIVYBV-CABCVRRESA-N 1 0 318.333 0.877 20 5 DCBDRO Cn1nccc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001396771 666041640 /nfs/dbraw/zinc/04/16/40/666041640.db2.gz RKQHNXIFTWKYOE-ZIAGYGMSSA-N 1 0 321.381 0.414 20 5 DCBDRO CN1CCOC[C@@]1(CO)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922535636 666477170 /nfs/dbraw/zinc/47/71/70/666477170.db2.gz KGOHWGPJTXZFGA-LEXSJLIMSA-N 1 0 321.377 0.891 20 5 DCBDRO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC000996430023 666790853 /nfs/dbraw/zinc/79/08/53/666790853.db2.gz YISGXRSUOSBVND-CHWSQXEVSA-N 1 0 308.338 0.729 20 5 DCBDRO O=C1COC[C@@]2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)COCCN12 ZINC000865801241 667349024 /nfs/dbraw/zinc/34/90/24/667349024.db2.gz SLWZYJUFYKNDPR-OAHLLOKOSA-N 1 0 321.333 0.312 20 5 DCBDRO COCCC1(NC(=O)c2ccc([N+](=O)[O-])n2C)CC[NH2+]CC1 ZINC000868039690 667528685 /nfs/dbraw/zinc/52/86/85/667528685.db2.gz HLZICUVVCKQSRH-UHFFFAOYSA-N 1 0 310.354 0.822 20 5 DCBDRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743261039 667805439 /nfs/dbraw/zinc/80/54/39/667805439.db2.gz OWVIERKZWWJWDD-HUUCEWRRSA-N 1 0 320.349 0.784 20 5 DCBDRO Cn1c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000889781725 667996369 /nfs/dbraw/zinc/99/63/69/667996369.db2.gz OIKVIZNNUJXIOK-NWDGAFQWSA-N 1 0 322.365 0.605 20 5 DCBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)NC ZINC000764200922 668438443 /nfs/dbraw/zinc/43/84/43/668438443.db2.gz CMZSWLAUBSLHME-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CN4CCC[C@H]4CO3)C2)c1 ZINC000877022230 668553313 /nfs/dbraw/zinc/55/33/13/668553313.db2.gz QUPGREFVADXGBH-GWIFJHRUSA-N 1 0 321.381 0.948 20 5 DCBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CN(C)CCO1 ZINC000877100582 668562684 /nfs/dbraw/zinc/56/26/84/668562684.db2.gz UVJBIOKJFKKMSI-DLOFLVKXSA-N 1 0 309.370 0.804 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877283985 668590761 /nfs/dbraw/zinc/59/07/61/668590761.db2.gz ZFLVRGBMJOFPCK-RYUDHWBXSA-N 1 0 306.322 0.109 20 5 DCBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929246648 668667664 /nfs/dbraw/zinc/66/76/64/668667664.db2.gz ICCVNCVNWBZPGN-OAHLLOKOSA-N 1 0 321.377 0.993 20 5 DCBDRO CC1(C)CC(=O)NCCN1CCn1cc([N+](=O)[O-])ccc1=O ZINC000931207159 669157339 /nfs/dbraw/zinc/15/73/39/669157339.db2.gz SSMHQEYYRGUUJS-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1C(C)(C)C ZINC000880612418 669249135 /nfs/dbraw/zinc/24/91/35/669249135.db2.gz HEPFTTLIDKRAQF-NSHDSACASA-N 1 0 309.370 0.980 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000935398668 669717317 /nfs/dbraw/zinc/71/73/17/669717317.db2.gz TZVCBQFUMIOOAO-UHFFFAOYSA-N 1 0 307.354 0.868 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000716729931 670272003 /nfs/dbraw/zinc/27/20/03/670272003.db2.gz KLMLDZOVPKPDEN-SECBINFHSA-N 1 0 301.730 0.901 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000817118362 670897186 /nfs/dbraw/zinc/89/71/86/670897186.db2.gz TXBHBPFKINABPR-WDEREUQCSA-N 1 0 320.349 0.969 20 5 DCBDRO [NH3+]C[C@@H]1CC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)=NO1 ZINC000852805201 671162816 /nfs/dbraw/zinc/16/28/16/671162816.db2.gz RXVQWITWZGMLOL-NSHDSACASA-N 1 0 307.310 0.227 20 5 DCBDRO [NH3+]CCCn1cc(-c2nc(-c3ccc([N+](=O)[O-])o3)no2)nn1 ZINC000823270866 671382215 /nfs/dbraw/zinc/38/22/15/671382215.db2.gz WFSILGIFDAXPPY-UHFFFAOYSA-N 1 0 305.254 0.845 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000825182847 671452118 /nfs/dbraw/zinc/45/21/18/671452118.db2.gz CLPLXEGMQWCSKE-GFCCVEGCSA-N 1 0 322.365 0.769 20 5 DCBDRO COC(=O)Cc1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000827431056 671527488 /nfs/dbraw/zinc/52/74/88/671527488.db2.gz ZDLUJHUUDQFUOY-TXEJJXNPSA-N 1 0 305.334 0.966 20 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/nfs/dbraw/zinc/86/26/82/671862682.db2.gz PBTWIKRSJVAUPW-UHFFFAOYSA-N 1 0 319.321 0.862 20 5 DCBDRO [NH3+]C/C=C/CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841998248 671972447 /nfs/dbraw/zinc/97/24/47/671972447.db2.gz WYWCSHFWOJWYJD-OWOJBTEDSA-N 1 0 319.365 0.941 20 5 DCBDRO Cn1cc([C@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000843091122 672060666 /nfs/dbraw/zinc/06/06/66/672060666.db2.gz GGMYAEWQJOEJQT-UONOGXRCSA-N 1 0 306.322 0.685 20 5 DCBDRO Cn1cc([C@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843094542 672061322 /nfs/dbraw/zinc/06/13/22/672061322.db2.gz UZJRZBDQMMSJSF-UONOGXRCSA-N 1 0 306.322 0.685 20 5 DCBDRO O=[N+]([O-])c1ccc(Cc2noc(C[C@H]3C[NH2+]CCO3)n2)nc1 ZINC000843191952 672069348 /nfs/dbraw/zinc/06/93/48/672069348.db2.gz PFIIAAVFGBYTDS-NSHDSACASA-N 1 0 305.294 0.495 20 5 DCBDRO C[NH+](C)CCN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000845630053 672267916 /nfs/dbraw/zinc/26/79/16/672267916.db2.gz GPPBDAHFSNZJMX-UHFFFAOYSA-N 1 0 310.329 0.944 20 5 DCBDRO COc1cccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001020139306 693709751 /nfs/dbraw/zinc/70/97/51/693709751.db2.gz XBAVMNPEAPISRG-FDYHWXHSSA-N 1 0 320.349 0.492 20 5 DCBDRO Cc1cc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)on1 ZINC001072721307 694657045 /nfs/dbraw/zinc/65/70/45/694657045.db2.gz MGXWJNSOIVHRQP-CHWSQXEVSA-N 1 0 320.349 0.683 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cn1cncn1 ZINC001691590845 1158348355 /nfs/dbraw/zinc/34/83/55/1158348355.db2.gz SJFPVXVKHJJFQD-UHFFFAOYSA-N 1 0 318.337 0.435 20 5 DCBDRO CC[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC001263948163 1159146829 /nfs/dbraw/zinc/14/68/29/1159146829.db2.gz OHFQUDHYUUEEMC-UHFFFAOYSA-N 1 0 308.338 0.650 20 5 DCBDRO C[C@](CO)(NC(=O)C[NH2+]CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC001576037953 1164219251 /nfs/dbraw/zinc/21/92/51/1164219251.db2.gz ROUOBJBYRMLDFX-OAHLLOKOSA-N 1 0 307.350 0.918 20 5 DCBDRO C[C@@]1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[NH2+]CCO1 ZINC001576507730 1164368681 /nfs/dbraw/zinc/36/86/81/1164368681.db2.gz FDKANYBDJFZRMZ-OCCSQVGLSA-N 1 0 309.322 0.123 20 5 DCBDRO CCc1ccc(C(=O)N2CCOC[C@]2(C[NH3+])CO)cc1[N+](=O)[O-] ZINC001578252549 1164965289 /nfs/dbraw/zinc/96/52/89/1164965289.db2.gz FQLMCAXJPYADTJ-HNNXBMFYSA-N 1 0 323.349 0.319 20 5 DCBDRO C[C@H](NC(=O)C1=NOC2(C[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001579480421 1165326075 /nfs/dbraw/zinc/32/60/75/1165326075.db2.gz OBZCTJBIXKCJFW-VIFPVBQESA-N 1 0 304.306 0.890 20 5 DCBDRO [NH3+][C@H]1C[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001580167190 1165524763 /nfs/dbraw/zinc/52/47/63/1165524763.db2.gz VLMIKXQALVEYKT-CBBWQLFWSA-N 1 0 321.377 0.849 20 5 DCBDRO O=C(NC[C@@H]1CCC2(C[NH2+]C2)O1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001580645508 1165672496 /nfs/dbraw/zinc/67/24/96/1165672496.db2.gz DZSJPENHHBVMSJ-LURJTMIESA-N 1 0 315.717 0.222 20 5 DCBDRO O=C(NC[C@@H]1CC[NH2+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001580658860 1165676609 /nfs/dbraw/zinc/67/66/09/1165676609.db2.gz VPVRGJCKVFGASJ-NSHDSACASA-N 1 0 320.353 0.183 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@]12CC[NH2+][C@H]1CCCC2 ZINC001580703064 1165692601 /nfs/dbraw/zinc/69/26/01/1165692601.db2.gz LROZBIRSTYVMET-GXTWGEPZSA-N 1 0 307.354 0.830 20 5 DCBDRO C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1)C[NH+](C)C ZINC001609114210 1170814737 /nfs/dbraw/zinc/81/47/37/1170814737.db2.gz ZSAOCIXOZCAAON-QMMMGPOBSA-N 1 0 320.357 0.967 20 5 DCBDRO COc1c(O)ccc(C[NH2+]CCN2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC001621473024 1171410063 /nfs/dbraw/zinc/41/00/63/1171410063.db2.gz AZTDWORROAFSRN-LLVKDONJSA-N 1 0 311.338 0.465 20 5 DCBDRO Nc1ncc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001624812053 1171460924 /nfs/dbraw/zinc/46/09/24/1171460924.db2.gz MURLJOMKQPLPLP-QWRGUYRKSA-N 1 0 305.338 0.929 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1(CCO)CC[NH+](C)CC1 ZINC001637806545 1171779755 /nfs/dbraw/zinc/77/97/55/1171779755.db2.gz XZFPYQNPOQGYRS-UHFFFAOYSA-N 1 0 310.354 0.510 20 5 DCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1C[N@H+](C)CCN1C ZINC001641305696 1171912182 /nfs/dbraw/zinc/91/21/82/1171912182.db2.gz CXTWCVUQILZNFD-BXKDBHETSA-N 1 0 323.353 0.060 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[N@@H+](C)CCN(C)C)n1 ZINC001642055040 1171936335 /nfs/dbraw/zinc/93/63/35/1171936335.db2.gz GWORDHUGAHGPBZ-UHFFFAOYSA-N 1 0 323.397 0.912 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@]3(O)CCOC3)CC2)cn1 ZINC001652278744 1173766457 /nfs/dbraw/zinc/76/64/57/1173766457.db2.gz HNUGHSPKUBXYSI-HNNXBMFYSA-N 1 0 322.365 0.700 20 5 DCBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001654291529 1173803964 /nfs/dbraw/zinc/80/39/64/1173803964.db2.gz VUNNSVHJYLXTKQ-NHYWBVRUSA-N 1 0 323.349 0.741 20 5 DCBDRO CNC(=O)NC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001655330874 1173817936 /nfs/dbraw/zinc/81/79/36/1173817936.db2.gz UTDKRWDITOQHDS-LLVKDONJSA-N 1 0 310.358 0.575 20 5 DCBDRO COc1ccc(C[NH2+]CCN2CCNC2=S)cc1[N+](=O)[O-] ZINC001658194602 1173919997 /nfs/dbraw/zinc/91/99/97/1173919997.db2.gz WZUUYGYBPGLFCN-UHFFFAOYSA-N 1 0 310.379 0.883 20 5 DCBDRO CO[C@](C)(CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001658453604 1173922250 /nfs/dbraw/zinc/92/22/50/1173922250.db2.gz LBIVMZAIMUIOEM-HNNXBMFYSA-N 1 0 324.381 0.946 20 5 DCBDRO C[C@](CO)([NH2+]C[C@@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC001659768559 1173934931 /nfs/dbraw/zinc/93/49/31/1173934931.db2.gz HLIDQDGWFQOLTM-HUUCEWRRSA-N 1 0 320.349 0.650 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001662172456 1174184236 /nfs/dbraw/zinc/18/42/36/1174184236.db2.gz HUWZEQLDNJQIAJ-CYBMUJFWSA-N 1 0 312.301 0.922 20 5 DCBDRO Cc1cc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)on1 ZINC001663813518 1174354205 /nfs/dbraw/zinc/35/42/05/1174354205.db2.gz GOGUEPDAGBLOMB-UHFFFAOYSA-N 1 0 322.325 0.487 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001672310048 1175098544 /nfs/dbraw/zinc/09/85/44/1175098544.db2.gz YGMBCWQQKQTAOM-SNVBAGLBSA-N 1 0 312.301 0.922 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000237621680 1181032068 /nfs/dbraw/zinc/03/20/68/1181032068.db2.gz YSMSSCQCEAEBDC-ZANVPECISA-N 1 0 320.349 0.567 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc[nH]n1 ZINC001714768945 1181533892 /nfs/dbraw/zinc/53/38/92/1181533892.db2.gz XENYHKAEYQGSKS-UHFFFAOYSA-N 1 0 304.310 0.575 20 5 DCBDRO CN(CC[N@H+](C)CCC1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715820296 1182028237 /nfs/dbraw/zinc/02/82/37/1182028237.db2.gz VWUMVILRCZRDRW-ZIAGYGMSSA-N 1 0 313.398 0.859 20 5 DCBDRO CCN(CC[NH2+]Cc1ccc(F)cn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716217521 1182259772 /nfs/dbraw/zinc/25/97/72/1182259772.db2.gz VXWLFOBBFWVUGB-CHWSQXEVSA-N 1 0 310.329 0.824 20 5 DCBDRO Cc1cccnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001716681493 1182493849 /nfs/dbraw/zinc/49/38/49/1182493849.db2.gz PYBGPTOWSYWIEZ-DGCLKSJQSA-N 1 0 304.350 0.794 20 5 DCBDRO CC1(NC(=O)C(N)=O)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001724013802 1184368682 /nfs/dbraw/zinc/36/86/82/1184368682.db2.gz CRNYVXVFYJORIL-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001725138922 1184692954 /nfs/dbraw/zinc/69/29/54/1184692954.db2.gz AHNDXXSXBHSGAE-CHWSQXEVSA-N 1 0 323.397 0.660 20 5 DCBDRO CCc1noc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754118540 1188748379 /nfs/dbraw/zinc/74/83/79/1188748379.db2.gz AJXACBOFJPGYPE-KSEDQGMOSA-N 1 0 322.365 0.973 20 5 DCBDRO Cc1nc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001164932864 721886461 /nfs/dbraw/zinc/88/64/61/721886461.db2.gz KDAPWALXYCRSHY-OLZOCXBDSA-N 1 0 320.397 0.908 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(CC)CC[NH3+] ZINC001577175831 1164621568 /nfs/dbraw/zinc/62/15/68/1164621568.db2.gz JMDCJIXNYFRTEW-JTQLQIEISA-N 1 0 312.374 0.634 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212224452 751358497 /nfs/dbraw/zinc/35/84/97/751358497.db2.gz MORMGUQFFWIQQR-SECBINFHSA-N 1 0 308.273 0.755 20 5 DCBDRO COCCOCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124909198 751742007 /nfs/dbraw/zinc/74/20/07/751742007.db2.gz ZGHWIPWBVBZRHP-UHFFFAOYSA-N 1 0 317.367 0.525 20 5 DCBDRO O=C(CCc1nnc[nH]1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125419930 747125906 /nfs/dbraw/zinc/12/59/06/747125906.db2.gz VOPFREOPHSBIFR-UHFFFAOYSA-N 1 0 318.337 0.552 20 5 DCBDRO CN(C)C(=O)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001167788540 748306929 /nfs/dbraw/zinc/30/69/29/748306929.db2.gz IQDCEPXYBFWCAW-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO Cn1ncc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001168319847 749914051 /nfs/dbraw/zinc/91/40/51/749914051.db2.gz HOTBXOXGGGDUDF-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084605 759693927 /nfs/dbraw/zinc/69/39/27/759693927.db2.gz XTMIEKTXEAMZHB-LYIQGSDWSA-N 1 0 324.406 0.835 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(=O)[nH]n1 ZINC001123090325 767925921 /nfs/dbraw/zinc/92/59/21/767925921.db2.gz GUDFIKQJLOTPNF-UHFFFAOYSA-N 1 0 317.305 0.610 20 5 DCBDRO CN(c1ncnc2ccc([N+](=O)[O-])cc21)S(=O)(=O)CC[NH3+] ZINC001156236635 760520383 /nfs/dbraw/zinc/52/03/83/760520383.db2.gz OWBFFBDXQHCZQC-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168985089 760531195 /nfs/dbraw/zinc/53/11/95/760531195.db2.gz CUBNAZBNSQIMAY-MMWGEVLESA-N 1 0 301.343 0.088 20 5 DCBDRO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168968450 760534380 /nfs/dbraw/zinc/53/43/80/760534380.db2.gz ZFIFWDPTEBXAGY-DGCLKSJQSA-N 1 0 319.427 0.836 20 5 DCBDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H](O)C(=O)NC1CC1 ZINC001168986726 760545479 /nfs/dbraw/zinc/54/54/79/760545479.db2.gz YUPDNMGXAMIOCZ-AHLTXXRQSA-N 1 0 313.398 0.830 20 5 DCBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(C)=O ZINC001169054885 760564640 /nfs/dbraw/zinc/56/46/40/760564640.db2.gz NZKHDKGUSSDEMH-UPJWGTAASA-N 1 0 313.354 0.138 20 5 DCBDRO Cc1c[n+]([O-])c(-n2nnc3ccc(C[NH3+])cc32)cc1[N+](=O)[O-] ZINC001170017947 761524167 /nfs/dbraw/zinc/52/41/67/761524167.db2.gz WLSOXVDVJFKPRV-UHFFFAOYSA-N 1 0 300.278 0.729 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC[C@H]1COCC[NH2+]1 ZINC001170042864 761667498 /nfs/dbraw/zinc/66/74/98/761667498.db2.gz FMYDOSZHNMBHCC-VIFPVBQESA-N 1 0 310.310 0.485 20 5 DCBDRO CC(=O)N1CCc2cc(NCCN(C)CC[NH3+])cc([N+](=O)[O-])c21 ZINC001170504845 763388589 /nfs/dbraw/zinc/38/85/89/763388589.db2.gz LWHIVWMDGHSSQA-UHFFFAOYSA-N 1 0 321.381 0.806 20 5 DCBDRO [NH3+][C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC12COC2 ZINC001158762437 764793981 /nfs/dbraw/zinc/79/39/81/764793981.db2.gz NJBFVTDUJAQUPI-RXMQYKEDSA-N 1 0 320.136 0.856 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001118049203 766208749 /nfs/dbraw/zinc/20/87/49/766208749.db2.gz TULPJRAJNLWZDI-CYBMUJFWSA-N 1 0 318.333 0.291 20 5 DCBDRO CC[N+](C)(C)Cc1ccccc1NCC(=O)NCC(=O)OC ZINC001170950886 766280825 /nfs/dbraw/zinc/28/08/25/766280825.db2.gz NQTVRXHDSIBGOC-UHFFFAOYSA-O 1 0 308.402 0.984 20 5 DCBDRO Cc1nn(C)c(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001120071349 766893897 /nfs/dbraw/zinc/89/38/97/766893897.db2.gz SQKVQBIKQDDWGF-NEPJUHHUSA-N 1 0 309.370 0.672 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001122021268 767699209 /nfs/dbraw/zinc/69/92/09/767699209.db2.gz MMFIYWWLAXPBKU-AWEZNQCLSA-N 1 0 307.354 0.702 20 5 DCBDRO C[NH+](C)CCOCC(=O)NCCNc1ncccc1[N+](=O)[O-] ZINC001093750356 768711417 /nfs/dbraw/zinc/71/14/17/768711417.db2.gz XKTMVAIXOVBRDM-UHFFFAOYSA-N 1 0 311.342 0.096 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001093768992 768719695 /nfs/dbraw/zinc/71/96/95/768719695.db2.gz UFEQLDLCYFWMOH-UHFFFAOYSA-N 1 0 319.365 0.922 20 5 DCBDRO C[NH+](C)CC1(C(=O)NCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001094090057 768856055 /nfs/dbraw/zinc/85/60/55/768856055.db2.gz WOAZXCJVIZMOPJ-UHFFFAOYSA-N 1 0 323.353 0.565 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@H]21 ZINC001171814595 769383095 /nfs/dbraw/zinc/38/30/95/769383095.db2.gz KHFHIZLMXDNCOI-BXKDBHETSA-N 1 0 305.338 0.738 20 5 DCBDRO C[N@H+](CCCNC(=O)CNC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001233705485 769430721 /nfs/dbraw/zinc/43/07/21/769430721.db2.gz JCWDNSMFWDXBHM-UHFFFAOYSA-N 1 0 323.353 0.201 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)n2nnnc2C[NH3+])c1F ZINC001173181274 769556554 /nfs/dbraw/zinc/55/65/54/769556554.db2.gz CBIZDVAOVXFYHJ-ZETCQYMHSA-N 1 0 310.289 0.991 20 5 DCBDRO [NH2+]=CNC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173691957 769701838 /nfs/dbraw/zinc/70/18/38/769701838.db2.gz WKGRPOITRHRHNW-UHFFFAOYSA-N 1 0 312.351 0.945 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001155083836 770391333 /nfs/dbraw/zinc/39/13/33/770391333.db2.gz JOIDQCQBYFAAAA-UHFFFAOYSA-N 1 0 306.282 0.393 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001155152348 770414380 /nfs/dbraw/zinc/41/43/80/770414380.db2.gz KNOPMKCQAJQJHD-ZDUSSCGKSA-N 1 0 324.337 0.715 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ncc(OC)cc2[N+](=O)[O-])CC1 ZINC001155154395 770415832 /nfs/dbraw/zinc/41/58/32/770415832.db2.gz WTTOAXYAOZEREO-GFCCVEGCSA-N 1 0 324.337 0.715 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001155170692 770420943 /nfs/dbraw/zinc/42/09/43/770420943.db2.gz SGGUAGMICUFYHK-LLVKDONJSA-N 1 0 309.326 0.410 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001155244857 770447776 /nfs/dbraw/zinc/44/77/76/770447776.db2.gz OHZUYHXKGRJFOD-UHFFFAOYSA-N 1 0 310.354 0.437 20 5 DCBDRO C[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])[C@H](C)CO1 ZINC001155417569 770496192 /nfs/dbraw/zinc/49/61/92/770496192.db2.gz IYPLETGFQGOHCN-GHMZBOCLSA-N 1 0 322.369 0.408 20 5 DCBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)c2c1 ZINC001155502788 770528116 /nfs/dbraw/zinc/52/81/16/770528116.db2.gz MYGGJIVADWVLTQ-RAIGVLPGSA-N 1 0 301.306 0.937 20 5 DCBDRO COC(=O)c1cnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c([N+](=O)[O-])c1 ZINC001155502971 770528304 /nfs/dbraw/zinc/52/83/04/770528304.db2.gz QGGUUTYBXLOYDG-OPRDCNLKSA-N 1 0 308.294 0.175 20 5 DCBDRO COc1cc(C)nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155571370 770548880 /nfs/dbraw/zinc/54/88/80/770548880.db2.gz SEIDYHUAMMUDOH-ZANVPECISA-N 1 0 307.310 0.297 20 5 DCBDRO C[N@@H+]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC001178709644 770846041 /nfs/dbraw/zinc/84/60/41/770846041.db2.gz QURSFDJGAOSVBA-NSHDSACASA-N 1 0 308.338 0.213 20 5 DCBDRO Cn1nncc1C(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001157349834 771592399 /nfs/dbraw/zinc/59/23/99/771592399.db2.gz QNDHCUGDEMVFFH-UHFFFAOYSA-N 1 0 324.366 0.695 20 5 DCBDRO O=C(NCCC[NH2+]Cc1cc2n(n1)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767010 771666021 /nfs/dbraw/zinc/66/60/21/771666021.db2.gz DBKKEKIAWYIQAS-CHWSQXEVSA-N 1 0 307.354 0.090 20 5 DCBDRO O=C(NCCC[NH2+]Cc1noc2c1COCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775646 771670639 /nfs/dbraw/zinc/67/06/39/771670639.db2.gz UHKYAVFYEKPQGT-BXKDBHETSA-N 1 0 324.337 0.008 20 5 DCBDRO COC(=O)c1ccnc(-n2nc(CC[NH3+])nc2C)c1[N+](=O)[O-] ZINC001158131128 771729190 /nfs/dbraw/zinc/72/91/90/771729190.db2.gz PMDOHCDXSMFPHA-UHFFFAOYSA-N 1 0 306.282 0.167 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001158206438 771740916 /nfs/dbraw/zinc/74/09/16/771740916.db2.gz OHRZCXPKUSYDRV-MRVPVSSYSA-N 1 0 302.294 0.519 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2CCC(N3CC[C@H]([NH3+])C3)CC2)n1 ZINC001158258774 771748352 /nfs/dbraw/zinc/74/83/52/771748352.db2.gz ITUWMGYIZTTXLJ-NSHDSACASA-N 1 0 306.370 0.695 20 5 DCBDRO [NH3+][C@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC001158761479 771818129 /nfs/dbraw/zinc/81/81/29/771818129.db2.gz BVADUEOPRXQJNQ-LBPRGKRZSA-N 1 0 301.306 0.702 20 5 DCBDRO O=C(Cn1nccn1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001158921327 771835030 /nfs/dbraw/zinc/83/50/30/771835030.db2.gz GHBRZCOVKGJUJX-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO CN(C)/C=C/c1cc(NC[C@@H]2COCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001159043851 771850879 /nfs/dbraw/zinc/85/08/79/771850879.db2.gz IPCJQBHQZBWBAR-OGOUPESXSA-N 1 0 307.354 0.922 20 5 DCBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])c(N)n2)O1 ZINC001159240457 771882414 /nfs/dbraw/zinc/88/24/14/771882414.db2.gz QXQZLEKGOICIJF-BREBYQMCSA-N 1 0 311.342 0.709 20 5 DCBDRO Cc1nc(Cl)nc(NCCOCCOCC[NH3+])c1[N+](=O)[O-] ZINC001159443671 771910830 /nfs/dbraw/zinc/91/08/30/771910830.db2.gz XAHCQAKPBZGIOC-UHFFFAOYSA-N 1 0 319.749 0.750 20 5 DCBDRO [NH3+]CCOCCOCCNc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001159445900 771911824 /nfs/dbraw/zinc/91/18/24/771911824.db2.gz YJGPOBBNCHUZPL-UHFFFAOYSA-N 1 0 320.733 0.285 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001159683255 771944802 /nfs/dbraw/zinc/94/48/02/771944802.db2.gz RXHOFGABVBOQBB-WCBMZHEXSA-N 1 0 310.310 0.159 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@]1(C[NH3+])CN2CCC1CC2 ZINC001160514314 772055582 /nfs/dbraw/zinc/05/55/82/772055582.db2.gz VJYMOPMKXNBOTE-AWEZNQCLSA-N 1 0 307.354 0.372 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCNc1cc[nH+]cc1 ZINC001160613375 772078970 /nfs/dbraw/zinc/07/89/70/772078970.db2.gz NALGSVAKAATBOH-UHFFFAOYSA-N 1 0 304.310 0.145 20 5 DCBDRO Nc1cc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001161470697 772228989 /nfs/dbraw/zinc/22/89/89/772228989.db2.gz TWMBCTIVZPPTAA-LLVKDONJSA-N 1 0 306.370 0.810 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001162126157 772329260 /nfs/dbraw/zinc/32/92/60/772329260.db2.gz DVSALJNIPNNJCA-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001163152420 772472843 /nfs/dbraw/zinc/47/28/43/772472843.db2.gz AUCDHCHHEQMKHY-XPTSAGLGSA-N 1 0 322.321 0.424 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1F ZINC001163163862 772475378 /nfs/dbraw/zinc/47/53/78/772475378.db2.gz NEQRZVWFUVUGSN-FXPVBKGRSA-N 1 0 312.301 0.404 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001163164041 772475423 /nfs/dbraw/zinc/47/54/23/772475423.db2.gz OUNFBMLBJSJRNB-FXPVBKGRSA-N 1 0 309.326 0.430 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1 ZINC001163252706 772492580 /nfs/dbraw/zinc/49/25/80/772492580.db2.gz BDCQXVRGGKPDOK-BXUZGUMPSA-N 1 0 320.305 0.371 20 5 DCBDRO CN1Cc2cc(N[C@@]34CC[NH2+][C@H]3CC(=O)N4)cc([N+](=O)[O-])c2N1 ZINC001163255001 772494463 /nfs/dbraw/zinc/49/44/63/772494463.db2.gz RGIRPGKOVBZONK-SMDDNHRTSA-N 1 0 318.337 0.357 20 5 DCBDRO CCOC(=O)c1cn(-c2ncc([N+](=O)[O-])c(C)n2)nc1C[NH3+] ZINC001163522078 772534167 /nfs/dbraw/zinc/53/41/67/772534167.db2.gz BSGDBFYRUSNLJP-UHFFFAOYSA-N 1 0 306.282 0.514 20 5 DCBDRO COc1ncnc(N2C[C@H](CF)[C@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165430326 772735954 /nfs/dbraw/zinc/73/59/54/772735954.db2.gz MSKUKHCRQGXBCM-DTWKUNHWSA-N 1 0 311.317 0.907 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC[C@H]1COc2ccccc2O1 ZINC001206332397 773067379 /nfs/dbraw/zinc/06/73/79/773067379.db2.gz CKLCGEXEEKYYNS-CHWSQXEVSA-N 1 0 310.370 0.827 20 5 DCBDRO COCc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc(=S)[nH]1 ZINC001225932190 775742047 /nfs/dbraw/zinc/74/20/47/775742047.db2.gz FMZSXXYLYQRCMW-SNVBAGLBSA-O 1 0 316.403 0.274 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(N)=O)c(Cl)c1 ZINC001227950019 776028664 /nfs/dbraw/zinc/02/86/64/776028664.db2.gz CQWYQSCDHADBOD-SECBINFHSA-O 1 0 315.777 0.802 20 5 DCBDRO CCC(C)(C)NC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267371808 939438331 /nfs/dbraw/zinc/43/83/31/939438331.db2.gz VYKUEZYENFNSST-GHMZBOCLSA-N 1 0 314.386 0.004 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC1CC1 ZINC001481379913 939765444 /nfs/dbraw/zinc/76/54/44/939765444.db2.gz NHGMSVTZCRCNGO-LXTVHRRPSA-N 1 0 323.393 0.753 20 5 DCBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cocn1 ZINC001268440215 940122224 /nfs/dbraw/zinc/12/22/24/940122224.db2.gz ZUSUBEPPTNPBRN-UHFFFAOYSA-N 1 0 322.325 0.568 20 5 DCBDRO COc1ccnc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001268792036 940361172 /nfs/dbraw/zinc/36/11/72/940361172.db2.gz UOANOGYVQAZKPW-ZIAGYGMSSA-N 1 0 322.365 0.694 20 5 DCBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cc[nH]c1 ZINC001482927081 941714538 /nfs/dbraw/zinc/71/45/38/941714538.db2.gz PXJIZUBNCMBWOR-UHFFFAOYSA-N 1 0 320.353 0.908 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC001320009694 945717573 /nfs/dbraw/zinc/71/75/73/945717573.db2.gz KJSDPNURTYVWMR-LBPRGKRZSA-N 1 0 320.349 0.357 20 5 DCBDRO CS(=O)(=O)N1CC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254574701 946410773 /nfs/dbraw/zinc/41/07/73/946410773.db2.gz KGKNTMPTJCHCPX-LLVKDONJSA-N 1 0 311.363 0.295 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001322844093 946832924 /nfs/dbraw/zinc/83/29/24/946832924.db2.gz FAEILEDREIZDSI-GFCCVEGCSA-N 1 0 320.349 0.453 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3cccc([N+](=O)[O-])c3N)C2)CC1 ZINC001324933709 947579793 /nfs/dbraw/zinc/57/97/93/947579793.db2.gz PEEURSVAGUIBBT-UHFFFAOYSA-N 1 0 319.365 0.249 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001325610492 947854381 /nfs/dbraw/zinc/85/43/81/947854381.db2.gz KUIWHFSROVCZJC-USWWRNFRSA-N 1 0 323.353 0.642 20 5 DCBDRO Cc1nocc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273507612 947932302 /nfs/dbraw/zinc/93/23/02/947932302.db2.gz HCULFCWNKZNVKE-CHWSQXEVSA-N 1 0 310.354 0.929 20 5 DCBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001326155621 948076180 /nfs/dbraw/zinc/07/61/80/948076180.db2.gz FKUUMUHWXGTKEK-MGPQQGTHSA-N 1 0 311.386 0.615 20 5 DCBDRO NC(=O)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001264401963 948961948 /nfs/dbraw/zinc/96/19/48/948961948.db2.gz KUZWSOFQVJKXKB-PHIMTYICSA-N 1 0 306.322 0.065 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001328965564 949245476 /nfs/dbraw/zinc/24/54/76/949245476.db2.gz KSOSDJTXJDEGDB-SNVBAGLBSA-N 1 0 308.338 0.579 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001329823812 949901690 /nfs/dbraw/zinc/90/16/90/949901690.db2.gz ONXDVHLWRNATAW-VHSXEESVSA-N 1 0 308.338 0.496 20 5 DCBDRO COCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001279554507 950631326 /nfs/dbraw/zinc/63/13/26/950631326.db2.gz NCZICPSFFBLQLL-ZIAGYGMSSA-N 1 0 311.382 0.827 20 5 DCBDRO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331512801 951148877 /nfs/dbraw/zinc/14/88/77/951148877.db2.gz JFTYTJMPZGLZRC-LBPRGKRZSA-N 1 0 318.333 0.305 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC001335344491 952523014 /nfs/dbraw/zinc/52/30/14/952523014.db2.gz DBYBPGNIQRPDGT-ABAIWWIYSA-N 1 0 320.349 0.167 20 5 DCBDRO CNc1ccc(C(=O)N2CCNCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001341111697 953211251 /nfs/dbraw/zinc/21/12/51/953211251.db2.gz ZVDOEHABRPULSZ-UHFFFAOYSA-N 1 0 307.354 0.272 20 5 DCBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001344846664 953545044 /nfs/dbraw/zinc/54/50/44/953545044.db2.gz OIPUKANJIXDWAD-VWYCJHECSA-N 1 0 308.338 0.354 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CC[NH2+]CCC12CCOCC2 ZINC001346099464 953799205 /nfs/dbraw/zinc/79/92/05/953799205.db2.gz IKQVPLZRZMHBBP-UHFFFAOYSA-N 1 0 309.326 0.303 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001347539231 954115746 /nfs/dbraw/zinc/11/57/46/954115746.db2.gz IRQPDHOSIDLTPY-RWMBFGLXSA-N 1 0 321.381 0.946 20 5 DCBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC001347858123 954173927 /nfs/dbraw/zinc/17/39/27/954173927.db2.gz YLSMSCFRMCSPOQ-SNVBAGLBSA-N 1 0 309.326 0.301 20 5 DCBDRO C[NH+]1CCC(N(CCO)C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC001300046598 955662233 /nfs/dbraw/zinc/66/22/33/955662233.db2.gz WZFAFTWYUIKOAK-UHFFFAOYSA-N 1 0 322.365 0.706 20 5 DCBDRO C[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H](O)C[NH2+]1 ZINC001353327396 956020751 /nfs/dbraw/zinc/02/07/51/956020751.db2.gz YMGAQEHJGYDIGQ-UKRRQHHQSA-N 1 0 305.334 0.592 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@@H]1CO ZINC001354592607 956443735 /nfs/dbraw/zinc/44/37/35/956443735.db2.gz AGVWKBZLMFEIBZ-LLVKDONJSA-N 1 0 313.741 0.583 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH2+]C[C@H]1CO ZINC001354592608 956444141 /nfs/dbraw/zinc/44/41/41/956444141.db2.gz AGVWKBZLMFEIBZ-NSHDSACASA-N 1 0 313.741 0.583 20 5 DCBDRO COC(=O)c1cnc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC001307122682 956927988 /nfs/dbraw/zinc/92/79/88/956927988.db2.gz PBJLIGVPTNIPMF-SKDRFNHKSA-N 1 0 306.322 0.917 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@@H]1COCC[NH2+]1 ZINC001357939410 957405009 /nfs/dbraw/zinc/40/50/09/957405009.db2.gz UDVDKTVWTASDSC-GFCCVEGCSA-N 1 0 311.313 0.771 20 5 DCBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001340775425 960252931 /nfs/dbraw/zinc/25/29/31/960252931.db2.gz DRUBJFXIDFWDCR-UHFFFAOYSA-N 1 0 314.363 0.624 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1C[N@H+](C)CCN1C ZINC001465293013 1015993083 /nfs/dbraw/zinc/99/30/83/1015993083.db2.gz GKXCVLOZESSJIQ-YGRLFVJLSA-N 1 0 321.381 0.541 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001465430893 1016000611 /nfs/dbraw/zinc/00/06/11/1016000611.db2.gz UMYOAFLBYCTQKU-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001465946114 1016036576 /nfs/dbraw/zinc/03/65/76/1016036576.db2.gz XRSIXPJQWFIWLF-GXFFZTMASA-N 1 0 322.369 0.168 20 5 DCBDRO C[C@@H](O)CN(CCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473513821 1016941009 /nfs/dbraw/zinc/94/10/09/1016941009.db2.gz HFDUVHQCYIGODU-SNVBAGLBSA-N 1 0 322.321 0.820 20 5 DCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001435967794 1006093200 /nfs/dbraw/zinc/09/32/00/1006093200.db2.gz LXCCKYNZXPXVNT-ZDUSSCGKSA-N 1 0 314.430 0.964 20 5 DCBDRO CCO[C@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)C[NH+](C)C ZINC001534451564 1011585066 /nfs/dbraw/zinc/58/50/66/1011585066.db2.gz ZGEXOVYTGPQJNP-LLVKDONJSA-N 1 0 313.358 0.183 20 5 DCBDRO C[C@H]1[C@@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001458613485 1012230288 /nfs/dbraw/zinc/23/02/88/1012230288.db2.gz CGWWTDWWMJCOGS-IUCAKERBSA-N 1 0 314.367 0.747 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](C)[C@H]3C2)n1 ZINC001559194854 1012407888 /nfs/dbraw/zinc/40/78/88/1012407888.db2.gz JOAFQHCZRNVRHI-SKDRFNHKSA-N 1 0 306.322 0.917 20 5 DCBDRO C[N@H+](CCNc1nc2ccccn2c1[N+](=O)[O-])CCOCCO ZINC001559265539 1012412944 /nfs/dbraw/zinc/41/29/44/1012412944.db2.gz SIFSFAUBKODYBC-UHFFFAOYSA-N 1 0 323.353 0.595 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001560064630 1012439565 /nfs/dbraw/zinc/43/95/65/1012439565.db2.gz PRBYPSCCOMXZAC-OAHLLOKOSA-N 1 0 323.349 0.471 20 5 DCBDRO COC[C@@H](CCO)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001461237675 1013012650 /nfs/dbraw/zinc/01/26/50/1013012650.db2.gz XTQYHGOJSJBTDY-SNVBAGLBSA-N 1 0 300.311 0.796 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090321965 185290924 /nfs/dbraw/zinc/29/09/24/185290924.db2.gz GKKUFPXTFDJPMF-PHIMTYICSA-N 1 0 311.363 0.743 20 5 DCBDRO NC(=O)C1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000090559275 185303574 /nfs/dbraw/zinc/30/35/74/185303574.db2.gz DFVPJGZGJVSBLS-UHFFFAOYSA-N 1 0 308.338 0.534 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000286834841 219188596 /nfs/dbraw/zinc/18/85/96/219188596.db2.gz WGADLTLZOIYTRK-VIFPVBQESA-N 1 0 317.367 0.832 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052783438 290791238 /nfs/dbraw/zinc/79/12/38/290791238.db2.gz DAKFZFSZCMMIJC-SECBINFHSA-N 1 0 314.367 0.301 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000286918876 219226204 /nfs/dbraw/zinc/22/62/04/219226204.db2.gz IGPCEVKXVDZVLI-JTQLQIEISA-N 1 0 308.338 0.391 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331382925 233243530 /nfs/dbraw/zinc/24/35/30/233243530.db2.gz JNBWUZLFIAVGOA-JTQLQIEISA-N 1 0 306.322 0.109 20 5 DCBDRO NC(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159752340 291236391 /nfs/dbraw/zinc/23/63/91/291236391.db2.gz GSJDXHYGJOWFBG-UHFFFAOYSA-N 1 0 308.338 0.344 20 5 DCBDRO COc1ccccc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000323788017 291258933 /nfs/dbraw/zinc/25/89/33/291258933.db2.gz BYIGVIRHAUWOSY-AWEZNQCLSA-N 1 0 320.349 0.993 20 5 DCBDRO COCC[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566009790 291263929 /nfs/dbraw/zinc/26/39/29/291263929.db2.gz LWHDWEWKOILRLO-LLVKDONJSA-N 1 0 311.338 0.910 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000566190864 291279278 /nfs/dbraw/zinc/27/92/78/291279278.db2.gz SOSNLIVGOSYAHL-CQSZACIVSA-N 1 0 315.333 0.795 20 5 DCBDRO COCC[NH2+]CCNC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1 ZINC000423530750 240200322 /nfs/dbraw/zinc/20/03/22/240200322.db2.gz ZBXJSXPMMNCSDA-UHFFFAOYSA-N 1 0 311.338 0.878 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CNCCO2)n1 ZINC000423545534 240203388 /nfs/dbraw/zinc/20/33/88/240203388.db2.gz CXROHTYNQGUDNB-RWMBFGLXSA-N 1 0 309.370 0.853 20 5 DCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567166183 291340539 /nfs/dbraw/zinc/34/05/39/291340539.db2.gz RADROAYUOCTQCJ-VHSXEESVSA-N 1 0 314.367 0.786 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000441605676 240528813 /nfs/dbraw/zinc/52/88/13/240528813.db2.gz ZXDMCEUXLQXJOS-NXEZZACHSA-N 1 0 308.338 0.424 20 5 DCBDRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000157471654 283861883 /nfs/dbraw/zinc/86/18/83/283861883.db2.gz XEDJVSSPRFMALP-CQSZACIVSA-N 1 0 305.334 0.858 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cn3ccsc3n2)c1 ZINC000567677346 291368646 /nfs/dbraw/zinc/36/86/46/291368646.db2.gz RBOASNWGQJATLO-NSHDSACASA-N 1 0 322.350 0.651 20 5 DCBDRO C[C@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000567698081 291370717 /nfs/dbraw/zinc/37/07/17/291370717.db2.gz ZIVVXJUFNAUTMX-SWLSCSKDSA-N 1 0 323.349 0.593 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264803876 204168407 /nfs/dbraw/zinc/16/84/07/204168407.db2.gz ZCUBRUPYPQIGMW-CYBMUJFWSA-N 1 0 322.365 0.336 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264757958 204133248 /nfs/dbraw/zinc/13/32/48/204133248.db2.gz UBJNCNKPBMNDTD-LLVKDONJSA-N 1 0 307.354 0.153 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264830076 204189543 /nfs/dbraw/zinc/18/95/43/204189543.db2.gz ZJFOKCDKIXQUBH-NSHDSACASA-N 1 0 307.354 0.351 20 5 DCBDRO COc1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000021057209 182263720 /nfs/dbraw/zinc/26/37/20/182263720.db2.gz APIYVHYKQMJFGU-UHFFFAOYSA-N 1 0 315.351 0.634 20 5 DCBDRO CN(C)S(=O)(=O)c1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000339964246 253170572 /nfs/dbraw/zinc/17/05/72/253170572.db2.gz XVUVEDTWMAQHNI-UHFFFAOYSA-N 1 0 316.383 0.819 20 5 DCBDRO C[N@H+](CCC(N)=O)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000286259732 218878083 /nfs/dbraw/zinc/87/80/83/218878083.db2.gz BAZGTJPEUBPRFA-UHFFFAOYSA-N 1 0 312.301 0.870 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347896918 254199970 /nfs/dbraw/zinc/19/99/70/254199970.db2.gz YMSACIXDGUXLFJ-ZDUSSCGKSA-N 1 0 310.329 0.710 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000349996834 254308160 /nfs/dbraw/zinc/30/81/60/254308160.db2.gz WWKDMMLQOOIPPW-VIFPVBQESA-N 1 0 304.310 0.643 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CC[NH2+][C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000275535656 130332440 /nfs/dbraw/zinc/33/24/40/130332440.db2.gz OJEMGZUSUHYGRY-VIFPVBQESA-N 1 0 307.306 0.815 20 5 DCBDRO C[C@@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000033093264 395716212 /nfs/dbraw/zinc/71/62/12/395716212.db2.gz HGVZVBFPETUODN-NSHDSACASA-N 1 0 322.365 0.781 20 5 DCBDRO CNC(=O)C[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000270766595 395805964 /nfs/dbraw/zinc/80/59/64/395805964.db2.gz KMUVFSZWJWQAKE-UHFFFAOYSA-N 1 0 324.337 0.610 20 5 DCBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000271070383 395835686 /nfs/dbraw/zinc/83/56/86/395835686.db2.gz YBNHSYCMNPIYFZ-NSHDSACASA-N 1 0 309.370 0.980 20 5 DCBDRO CN(C)S(=O)(=O)c1ccc(N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000050244120 395838028 /nfs/dbraw/zinc/83/80/28/395838028.db2.gz PYOJGHHBAGJCQM-VIFPVBQESA-N 1 0 314.367 0.383 20 5 DCBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])[nH]1 ZINC000270723317 395800968 /nfs/dbraw/zinc/80/09/68/395800968.db2.gz XBPMWGQYEBYENF-LLVKDONJSA-N 1 0 310.354 0.890 20 5 DCBDRO NC(=O)N[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273169624 395904760 /nfs/dbraw/zinc/90/47/60/395904760.db2.gz OQWMEJNEAORDID-MNOVXSKESA-N 1 0 324.337 0.077 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000237229849 395907675 /nfs/dbraw/zinc/90/76/75/395907675.db2.gz NQXXFJNEXLHVLO-JTQLQIEISA-N 1 0 315.351 0.619 20 5 DCBDRO CC(C)(CCCO)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000227961571 395870544 /nfs/dbraw/zinc/87/05/44/395870544.db2.gz IHDSUNWCTLUNOE-GFCCVEGCSA-N 1 0 300.359 0.541 20 5 DCBDRO C[NH+](C)C1CN(C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)C1 ZINC000272132882 395872016 /nfs/dbraw/zinc/87/20/16/395872016.db2.gz BYGAFLPMSIDLHU-UHFFFAOYSA-N 1 0 307.335 0.986 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000152086947 396000369 /nfs/dbraw/zinc/00/03/69/396000369.db2.gz KJDQTHDOSSBYDV-GFCCVEGCSA-N 1 0 303.322 0.916 20 5 DCBDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000062587300 395972982 /nfs/dbraw/zinc/97/29/82/395972982.db2.gz YCIHASWLPDAIKZ-SNVBAGLBSA-N 1 0 308.338 0.990 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000276972470 396040760 /nfs/dbraw/zinc/04/07/60/396040760.db2.gz AMDPKMZNILLSQQ-AWEZNQCLSA-N 1 0 311.338 0.646 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261666639 396054088 /nfs/dbraw/zinc/05/40/88/396054088.db2.gz LAAZUQMYWJAJSI-MNOVXSKESA-N 1 0 311.363 0.825 20 5 DCBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000068644819 396061600 /nfs/dbraw/zinc/06/16/00/396061600.db2.gz YCIHASWLPDAIKZ-JTQLQIEISA-N 1 0 308.338 0.990 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000156466778 396061972 /nfs/dbraw/zinc/06/19/72/396061972.db2.gz UDXRDNCEGHRQJU-JOYOIKCWSA-N 1 0 315.351 0.332 20 5 DCBDRO CNC(=O)CC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170782821 396098021 /nfs/dbraw/zinc/09/80/21/396098021.db2.gz JKGHMEKKBXLHGL-LBPRGKRZSA-N 1 0 311.338 0.402 20 5 DCBDRO COC(=O)c1cc(NC(=O)C[C@@H]2COCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000262284781 396118188 /nfs/dbraw/zinc/11/81/88/396118188.db2.gz XRSOSKVUFJTJPQ-LLVKDONJSA-N 1 0 323.305 0.698 20 5 DCBDRO COc1ccc(NC(=O)CN2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000261909212 396078300 /nfs/dbraw/zinc/07/83/00/396078300.db2.gz XVJLFJSLFJCGKC-SNVBAGLBSA-N 1 0 308.338 0.836 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000175976279 396147993 /nfs/dbraw/zinc/14/79/93/396147993.db2.gz IBEHZUHGVNBNJT-UHFFFAOYSA-N 1 0 310.354 0.875 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177169540 396168133 /nfs/dbraw/zinc/16/81/33/396168133.db2.gz XNPVEWNWEJCHAL-WCBMZHEXSA-N 1 0 307.354 0.992 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268138 396200025 /nfs/dbraw/zinc/20/00/25/396200025.db2.gz XPESIEFZWXYHOP-JTQLQIEISA-N 1 0 309.374 0.405 20 5 DCBDRO CNC(=O)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263776952 396230170 /nfs/dbraw/zinc/23/01/70/396230170.db2.gz FAEVJACYHIMWIY-UHFFFAOYSA-N 1 0 303.322 0.831 20 5 DCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)N1CC[NH+](C)CC1 ZINC000184404004 396294308 /nfs/dbraw/zinc/29/43/08/396294308.db2.gz PIGFAVPXPCDZIT-LLVKDONJSA-N 1 0 321.381 0.543 20 5 DCBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000286056075 396372038 /nfs/dbraw/zinc/37/20/38/396372038.db2.gz LPDOZCVBYSYFFC-LLVKDONJSA-N 1 0 308.338 0.486 20 5 DCBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269677049 396435326 /nfs/dbraw/zinc/43/53/26/396435326.db2.gz HJDJNQSXUQSHPP-LBPRGKRZSA-N 1 0 322.365 0.747 20 5 DCBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000290649468 396468436 /nfs/dbraw/zinc/46/84/36/396468436.db2.gz FGQJLEOBVBHOGW-LLVKDONJSA-N 1 0 312.374 0.819 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000372155308 396492663 /nfs/dbraw/zinc/49/26/63/396492663.db2.gz KAIJSFSXEGJTQV-YRGRVCCFSA-N 1 0 310.354 0.511 20 5 DCBDRO C[C@H](CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])[NH+](C)C ZINC000594817957 396521187 /nfs/dbraw/zinc/52/11/87/396521187.db2.gz WPVXUVRCCVNGPH-SECBINFHSA-N 1 0 302.356 0.608 20 5 DCBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000595119403 396552017 /nfs/dbraw/zinc/55/20/17/396552017.db2.gz STHRGBCZYOVPIU-ZETCQYMHSA-N 1 0 321.330 0.629 20 5 DCBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000595122868 396553127 /nfs/dbraw/zinc/55/31/27/396553127.db2.gz XCQHIMFSTPMRRD-MRVPVSSYSA-N 1 0 303.340 0.490 20 5 DCBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373110613 396567436 /nfs/dbraw/zinc/56/74/36/396567436.db2.gz IWWKJUDCJJJXFA-MNOVXSKESA-N 1 0 322.321 0.288 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595275018 396576450 /nfs/dbraw/zinc/57/64/50/396576450.db2.gz DMBPRWAPVDBUNU-SNVBAGLBSA-N 1 0 310.358 0.746 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595922278 396682676 /nfs/dbraw/zinc/68/26/76/396682676.db2.gz DASRLPBYJFJDJG-QWHCGFSZSA-N 1 0 308.338 0.487 20 5 DCBDRO Cc1sc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)cc1[N+](=O)[O-] ZINC000595946854 396690868 /nfs/dbraw/zinc/69/08/68/396690868.db2.gz IZUPNPCJAYJDSG-UHFFFAOYSA-N 1 0 323.334 0.849 20 5 DCBDRO CN1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000562995979 396690883 /nfs/dbraw/zinc/69/08/83/396690883.db2.gz NDOUSCDXDIHYQH-DGCLKSJQSA-N 1 0 309.322 0.155 20 5 DCBDRO Cc1c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000295304541 396690962 /nfs/dbraw/zinc/69/09/62/396690962.db2.gz VJFDILAQOVMPIA-IAZYJMLFSA-N 1 0 306.278 0.759 20 5 DCBDRO C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000563118623 396705906 /nfs/dbraw/zinc/70/59/06/396705906.db2.gz LBEXZIFQLIREPQ-NXEZZACHSA-N 1 0 314.367 0.656 20 5 DCBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H](O)C1 ZINC000304219947 396728103 /nfs/dbraw/zinc/72/81/03/396728103.db2.gz IKIJBNYVDUOJNZ-NSHDSACASA-N 1 0 307.306 0.959 20 5 DCBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000596104784 396717445 /nfs/dbraw/zinc/71/74/45/396717445.db2.gz NGBVUZPHCCBQHK-NSHDSACASA-N 1 0 321.381 0.742 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(c3ccc(N)c([N+](=O)[O-])n3)C2)CC1 ZINC000596119944 396719885 /nfs/dbraw/zinc/71/98/85/396719885.db2.gz BRARUNQXGMTPNZ-LBPRGKRZSA-N 1 0 320.397 0.788 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596129854 396722203 /nfs/dbraw/zinc/72/22/03/396722203.db2.gz RRAJBBTYZISNQK-AWEZNQCLSA-N 1 0 322.321 0.410 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600104967 396737359 /nfs/dbraw/zinc/73/73/59/396737359.db2.gz DPZCIEPBPKABQR-UHFFFAOYSA-N 1 0 308.338 0.860 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000328284784 396822572 /nfs/dbraw/zinc/82/25/72/396822572.db2.gz ZMLLRXZUPBNRLI-GXTWGEPZSA-N 1 0 318.333 0.746 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000611100909 396816966 /nfs/dbraw/zinc/81/69/66/396816966.db2.gz PXQCRMLBKCIJRM-NSHDSACASA-N 1 0 322.369 0.247 20 5 DCBDRO COC(=O)c1cc(NC(=O)NC2C[NH2+]C2)c(C)c([N+](=O)[O-])c1 ZINC000591301818 396898530 /nfs/dbraw/zinc/89/85/30/396898530.db2.gz CIPJVXXUBOMJQT-UHFFFAOYSA-N 1 0 308.294 0.783 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000591376811 396913350 /nfs/dbraw/zinc/91/33/50/396913350.db2.gz RXTKSOLHNXDUHA-LLVKDONJSA-N 1 0 322.365 0.497 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591361270 396910713 /nfs/dbraw/zinc/91/07/13/396910713.db2.gz PXTQKPBDPOXLOQ-JTQLQIEISA-N 1 0 308.342 0.169 20 5 DCBDRO CCn1nncc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600746416 396935248 /nfs/dbraw/zinc/93/52/48/396935248.db2.gz STIMHVWBHVFRAP-ZDUSSCGKSA-N 1 0 321.337 0.736 20 5 DCBDRO COc1cccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600808141 396945813 /nfs/dbraw/zinc/94/58/13/396945813.db2.gz JQZADMLAZBWYBL-JTQLQIEISA-N 1 0 309.322 0.400 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCN(CC3CC3)C2)c1 ZINC000591735390 396994043 /nfs/dbraw/zinc/99/40/43/396994043.db2.gz YPKRDPSJFZOVHI-TZMCWYRMSA-N 1 0 309.370 0.226 20 5 DCBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591752102 396996881 /nfs/dbraw/zinc/99/68/81/396996881.db2.gz USGQYHGDXWPRFM-LERXQTSPSA-N 1 0 309.370 0.225 20 5 DCBDRO O=C(NCC[NH2+]C1CC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000591679242 396976098 /nfs/dbraw/zinc/97/60/98/396976098.db2.gz SBNBDMMMJMCSLU-UHFFFAOYSA-N 1 0 307.306 0.848 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601346056 397069658 /nfs/dbraw/zinc/06/96/58/397069658.db2.gz LMMKJKBFKLJHNB-JQWIXIFHSA-N 1 0 311.363 0.946 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597652871 397045232 /nfs/dbraw/zinc/04/52/32/397045232.db2.gz FOYGPSXBXNQIRW-NSHDSACASA-N 1 0 311.338 0.402 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH2+]C1CC1 ZINC000592295304 397144581 /nfs/dbraw/zinc/14/45/81/397144581.db2.gz HVKGBWJQQXONIR-NSHDSACASA-N 1 0 324.385 0.695 20 5 DCBDRO CN(C)[C@@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000573282347 397152306 /nfs/dbraw/zinc/15/23/06/397152306.db2.gz BQRLNMOQPLBMGJ-OLZOCXBDSA-N 1 0 323.353 0.638 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000592333576 397154039 /nfs/dbraw/zinc/15/40/39/397154039.db2.gz KQGUOQBBYSKHDO-SNVBAGLBSA-N 1 0 308.338 0.508 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000592368410 397161487 /nfs/dbraw/zinc/16/14/87/397161487.db2.gz FXZRJQTXMLQWMC-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000592430822 397175339 /nfs/dbraw/zinc/17/53/39/397175339.db2.gz LBKUSVHXROUTMR-SCRDCRAPSA-N 1 0 308.334 0.861 20 5 DCBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601422258 397113509 /nfs/dbraw/zinc/11/35/09/397113509.db2.gz RJEYQUAPBPEFJV-ZJUUUORDSA-N 1 0 314.367 0.703 20 5 DCBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592180095 397115143 /nfs/dbraw/zinc/11/51/43/397115143.db2.gz HXQITKTYUBAJHY-CQSZACIVSA-N 1 0 322.296 0.908 20 5 DCBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475102 397185504 /nfs/dbraw/zinc/18/55/04/397185504.db2.gz NXHRWVDKQPELNG-MISXGVKJSA-N 1 0 322.365 0.970 20 5 DCBDRO CN(CCC[NH3+])CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592474232 397185846 /nfs/dbraw/zinc/18/58/46/397185846.db2.gz FSMTWPJSVBIOKC-UHFFFAOYSA-N 1 0 301.368 0.649 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475156 397186862 /nfs/dbraw/zinc/18/68/62/397186862.db2.gz WKIXYVJXWBASMV-RISCZKNCSA-N 1 0 322.365 0.971 20 5 DCBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000619787686 397192628 /nfs/dbraw/zinc/19/26/28/397192628.db2.gz YWKGSEQQRDZNBA-SNVBAGLBSA-N 1 0 322.369 0.216 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665406 397271161 /nfs/dbraw/zinc/27/11/61/397271161.db2.gz VEJLTCUAYSVUFQ-SECBINFHSA-N 1 0 309.326 0.522 20 5 DCBDRO C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598665445 397271426 /nfs/dbraw/zinc/27/14/26/397271426.db2.gz WCIAYYYXXBSUGK-JTQLQIEISA-N 1 0 321.337 0.537 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598669688 397272444 /nfs/dbraw/zinc/27/24/44/397272444.db2.gz MQHYBDXBBJNIQZ-RISCZKNCSA-N 1 0 307.354 0.830 20 5 DCBDRO C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000602057222 397291485 /nfs/dbraw/zinc/29/14/85/397291485.db2.gz FXCNYQSWNZATLS-LLVKDONJSA-N 1 0 307.354 0.589 20 5 DCBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000592958008 397302437 /nfs/dbraw/zinc/30/24/37/397302437.db2.gz SRNIIFVIULPXNQ-FICVDOATSA-N 1 0 316.361 0.709 20 5 DCBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592965835 397307318 /nfs/dbraw/zinc/30/73/18/397307318.db2.gz SJUBKTWNFPTXCF-WUWHUORYSA-N 1 0 317.349 0.468 20 5 DCBDRO C[C@@H]1CC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[NH2+]1 ZINC000599107097 397338873 /nfs/dbraw/zinc/33/88/73/397338873.db2.gz ZAVOXIUKIPYHGT-BDAKNGLRSA-N 1 0 300.340 0.409 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593604649 397406531 /nfs/dbraw/zinc/40/65/31/397406531.db2.gz CYANVVGOHYVEIE-CQSZACIVSA-N 1 0 311.313 0.459 20 5 DCBDRO Cc1nccn1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578618615 397459823 /nfs/dbraw/zinc/45/98/23/397459823.db2.gz JJMGFXLVIDWDTM-CYBMUJFWSA-N 1 0 308.342 0.337 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000602773457 397481078 /nfs/dbraw/zinc/48/10/78/397481078.db2.gz TWWMVCBLAODCKS-KGLIPLIRSA-N 1 0 323.397 0.631 20 5 DCBDRO [NH3+]CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000593917120 397477980 /nfs/dbraw/zinc/47/79/80/397477980.db2.gz YNZNQIHDGYAZBZ-UHFFFAOYSA-N 1 0 308.338 0.344 20 5 DCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599941770 397548534 /nfs/dbraw/zinc/54/85/34/397548534.db2.gz UKOOSPIWTLZDFQ-CYBMUJFWSA-N 1 0 322.365 0.767 20 5 DCBDRO CN1CCN(C(=O)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594493002 397563843 /nfs/dbraw/zinc/56/38/43/397563843.db2.gz BSQAKRACLHQBAE-CQSZACIVSA-N 1 0 318.377 0.946 20 5 DCBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000579595521 397583309 /nfs/dbraw/zinc/58/33/09/397583309.db2.gz ZLQOWQYHAYDNQE-GFCCVEGCSA-N 1 0 322.369 0.423 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000599905770 397538372 /nfs/dbraw/zinc/53/83/72/397538372.db2.gz RGQXSVZYAJRWES-SECBINFHSA-N 1 0 322.321 0.410 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609571094 397782856 /nfs/dbraw/zinc/78/28/56/397782856.db2.gz YJCMSFHPTMZFLT-LLVKDONJSA-N 1 0 308.386 0.909 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000070447624 158048139 /nfs/dbraw/zinc/04/81/39/158048139.db2.gz PTQJJIIOVQRIQL-JTQLQIEISA-N 1 0 317.367 0.865 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000075685406 158061642 /nfs/dbraw/zinc/06/16/42/158061642.db2.gz NQMXFXIBJLVZKU-GXTWGEPZSA-N 1 0 309.370 0.322 20 5 DCBDRO O=C(C1CC1)N1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000121611051 158212567 /nfs/dbraw/zinc/21/25/67/158212567.db2.gz ZWLZFTBJSONBDB-UHFFFAOYSA-N 1 0 307.354 0.736 20 5 DCBDRO CNC(=O)c1ccc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000133005989 158315342 /nfs/dbraw/zinc/31/53/42/158315342.db2.gz TUUVOABUMIRJDL-AWEZNQCLSA-N 1 0 310.354 0.679 20 5 DCBDRO NC(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987633 159368866 /nfs/dbraw/zinc/36/88/66/159368866.db2.gz GLOTVNBQOJOCRQ-RYUDHWBXSA-N 1 0 323.349 0.532 20 5 DCBDRO Cc1cc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000370428605 159518787 /nfs/dbraw/zinc/51/87/87/159518787.db2.gz QXXMZIHIDOQJQF-SNVBAGLBSA-N 1 0 315.351 0.251 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419044991 287263674 /nfs/dbraw/zinc/26/36/74/287263674.db2.gz VETGSYWEFYNFOJ-UHFFFAOYSA-N 1 0 322.365 0.369 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000268248067 415180867 /nfs/dbraw/zinc/18/08/67/415180867.db2.gz WKMVYUJICMHWPW-PRHODGIISA-N 1 0 306.322 0.908 20 5 DCBDRO O=[N+]([O-])c1ccccc1OCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352520087 415205700 /nfs/dbraw/zinc/20/57/00/415205700.db2.gz VAZGNQJPDUIAGX-CQSZACIVSA-N 1 0 320.393 0.953 20 5 DCBDRO NS(=O)(=O)c1ccc(NC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000044502788 415220237 /nfs/dbraw/zinc/22/02/37/415220237.db2.gz KMLABAPVDNCEAM-VIFPVBQESA-N 1 0 314.367 0.654 20 5 DCBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814864 415334317 /nfs/dbraw/zinc/33/43/17/415334317.db2.gz KCMQXOMBSNCVKQ-UMVBOHGHSA-N 1 0 323.397 0.711 20 5 DCBDRO C[NH+](C)Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000342903302 415349144 /nfs/dbraw/zinc/34/91/44/415349144.db2.gz KIDUKCLKHZFSHJ-UHFFFAOYSA-N 1 0 304.310 0.887 20 5 DCBDRO CC(C)(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000353384120 415527756 /nfs/dbraw/zinc/52/77/56/415527756.db2.gz KBSSGCIFJDXAOD-GHMZBOCLSA-N 1 0 307.354 0.594 20 5 DCBDRO COc1cc(C[NH2+]C[C@H]2CC[C@H](CO)O2)c([N+](=O)[O-])cc1O ZINC000353690966 415627423 /nfs/dbraw/zinc/62/74/23/415627423.db2.gz SLOBMKXGTPXGRO-GHMZBOCLSA-N 1 0 312.322 0.939 20 5 DCBDRO CO[C@@H](C[NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000289955184 415742872 /nfs/dbraw/zinc/74/28/72/415742872.db2.gz MKHZNXRKRMMEDC-ZDUSSCGKSA-N 1 0 310.354 0.795 20 5 DCBDRO C[NH+](C)CCCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000343874404 415760611 /nfs/dbraw/zinc/76/06/11/415760611.db2.gz ACTJEMVXMWCABL-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO C[NH2+]CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000121100509 415792218 /nfs/dbraw/zinc/79/22/18/415792218.db2.gz SPQVOZQUDODENB-JTQLQIEISA-N 1 0 324.337 0.518 20 5 DCBDRO C[NH2+]CCCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000121039939 415792554 /nfs/dbraw/zinc/79/25/54/415792554.db2.gz AGZWECQZWBOFNA-JTQLQIEISA-N 1 0 308.338 0.439 20 5 DCBDRO CC(C)C[NH+]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290515363 415815532 /nfs/dbraw/zinc/81/55/32/415815532.db2.gz MDVOYZWPTHRVKO-UHFFFAOYSA-N 1 0 307.354 0.867 20 5 DCBDRO C[C@]1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO[C@H]1C1CC1 ZINC000344333144 415890138 /nfs/dbraw/zinc/89/01/38/415890138.db2.gz FNRAHZYLQHYHKS-RDBSUJKOSA-N 1 0 310.354 0.699 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[NH+]1CCC(O)CC1 ZINC000296933526 415939744 /nfs/dbraw/zinc/93/97/44/415939744.db2.gz MLWDAXXIGHYZFO-UHFFFAOYSA-N 1 0 322.365 0.580 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000153134719 415977733 /nfs/dbraw/zinc/97/77/33/415977733.db2.gz CQZYWBGZKMRVMH-QWHCGFSZSA-N 1 0 306.322 0.213 20 5 DCBDRO C[N@H+](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000344831824 415994514 /nfs/dbraw/zinc/99/45/14/415994514.db2.gz RUKHBTVZLXGTFT-UHFFFAOYSA-N 1 0 306.322 0.744 20 5 DCBDRO NC(=O)c1ccc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000357450500 416083118 /nfs/dbraw/zinc/08/31/18/416083118.db2.gz DGICFDBDESIKCZ-UHFFFAOYSA-N 1 0 308.338 0.244 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCOCC[NH+](C)C ZINC000345944364 416172305 /nfs/dbraw/zinc/17/23/05/416172305.db2.gz ZTGSOOJECINFGC-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@@H](C[NH3+])C1 ZINC000358139924 416200348 /nfs/dbraw/zinc/20/03/48/416200348.db2.gz SBYOLMIUFOVCSU-ZDUSSCGKSA-N 1 0 322.365 0.891 20 5 DCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264571238 416339277 /nfs/dbraw/zinc/33/92/77/416339277.db2.gz SIIVQHDUKVXGRS-CYBMUJFWSA-N 1 0 320.349 0.664 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH2+]C ZINC000415550473 416347116 /nfs/dbraw/zinc/34/71/16/416347116.db2.gz VZTIAFKKMLQUTO-UHFFFAOYSA-N 1 0 308.338 0.774 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415552165 416347241 /nfs/dbraw/zinc/34/72/41/416347241.db2.gz ZLBJSXCXENBNMJ-UHFFFAOYSA-N 1 0 314.729 0.865 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636172 416349949 /nfs/dbraw/zinc/34/99/49/416349949.db2.gz WXUSIVLJHBDZDQ-GFCCVEGCSA-N 1 0 311.317 0.759 20 5 DCBDRO O=C(NCC1C[NH2+]C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418488821 416387655 /nfs/dbraw/zinc/38/76/55/416387655.db2.gz NMEZUJPTKHOJPM-UHFFFAOYSA-N 1 0 306.322 0.587 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000419766266 416409614 /nfs/dbraw/zinc/40/96/14/416409614.db2.gz YHXALVDWLVHYTF-LBPRGKRZSA-N 1 0 322.365 0.619 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000583619234 416480241 /nfs/dbraw/zinc/48/02/41/416480241.db2.gz CLXMTDBZIAAGGB-OAHLLOKOSA-N 1 0 320.349 0.485 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000458556828 416481067 /nfs/dbraw/zinc/48/10/67/416481067.db2.gz KPCBQRFPPOYIFN-LBPRGKRZSA-N 1 0 324.385 0.822 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCOC[C@H]2c2ccco2)c1 ZINC000361944075 416529321 /nfs/dbraw/zinc/52/93/21/416529321.db2.gz OBXOKDYBDMGPAM-STQMWFEESA-N 1 0 322.321 0.819 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000423481846 416516569 /nfs/dbraw/zinc/51/65/69/416516569.db2.gz QXDIBJKANFOOPM-GFCCVEGCSA-N 1 0 320.349 0.487 20 5 DCBDRO Cc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000541053167 416603292 /nfs/dbraw/zinc/60/32/92/416603292.db2.gz GGOYDMXLRMHGJU-UKRRQHHQSA-N 1 0 320.349 0.784 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596078176 416576448 /nfs/dbraw/zinc/57/64/48/416576448.db2.gz MWJONXJHYODXDR-LLVKDONJSA-N 1 0 308.386 1.010 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000440806540 416649790 /nfs/dbraw/zinc/64/97/90/416649790.db2.gz HXYZNSFWVOBFKP-DTWKUNHWSA-N 1 0 317.371 0.182 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000548092005 416684811 /nfs/dbraw/zinc/68/48/11/416684811.db2.gz USXOBNPOJAUOPD-DTWKUNHWSA-N 1 0 305.338 0.927 20 5 DCBDRO COCC(C)(C)[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000425501557 416709416 /nfs/dbraw/zinc/70/94/16/416709416.db2.gz FEWGYFZWVFINBC-UHFFFAOYSA-N 1 0 311.386 0.834 20 5 DCBDRO C[NH+](C)CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000443386165 416758047 /nfs/dbraw/zinc/75/80/47/416758047.db2.gz LTSXJYGAGSTBIA-UHFFFAOYSA-N 1 0 323.353 0.072 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cn1C ZINC000518948661 416883593 /nfs/dbraw/zinc/88/35/93/416883593.db2.gz WVIYBMTZGBMTKW-UHFFFAOYSA-N 1 0 323.397 0.643 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000427691266 416836419 /nfs/dbraw/zinc/83/64/19/416836419.db2.gz WXKVQKMGXGLVQO-AWEZNQCLSA-N 1 0 309.322 0.400 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000565831876 417023200 /nfs/dbraw/zinc/02/32/00/417023200.db2.gz CFVGPQKIUIQKQU-CMPLNLGQSA-N 1 0 309.370 0.933 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000565433089 416977700 /nfs/dbraw/zinc/97/77/00/416977700.db2.gz ISJVVGVKFJTXMU-SNVBAGLBSA-N 1 0 323.353 0.643 20 5 DCBDRO [NH3+]CC(=O)NCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000522002954 417041650 /nfs/dbraw/zinc/04/16/50/417041650.db2.gz DBVBPQAOFDCBLG-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CCOCC1 ZINC000449248884 417134647 /nfs/dbraw/zinc/13/46/47/417134647.db2.gz IHKOGDGOCXABOD-LBPRGKRZSA-N 1 0 307.350 0.974 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000525292370 417135054 /nfs/dbraw/zinc/13/50/54/417135054.db2.gz NUHIIXVTRIPKPN-LLVKDONJSA-N 1 0 309.370 0.948 20 5 DCBDRO CC(C)C[C@@H](C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000568510597 417145381 /nfs/dbraw/zinc/14/53/81/417145381.db2.gz VKBPOEKXPCBHLD-VIFPVBQESA-N 1 0 302.356 0.642 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449584907 417151464 /nfs/dbraw/zinc/15/14/64/417151464.db2.gz DNFBOKKGBBTENS-UWVGGRQHSA-N 1 0 308.338 0.567 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000449697581 417168257 /nfs/dbraw/zinc/16/82/57/417168257.db2.gz MBNFPAHOKITUMR-GFCCVEGCSA-N 1 0 324.406 0.707 20 5 DCBDRO O=[N+]([O-])c1cccc2ncnc(NCC[NH+]3CCC(O)CC3)c21 ZINC000450863153 417278857 /nfs/dbraw/zinc/27/88/57/417278857.db2.gz GMDZSGQLRNBSER-UHFFFAOYSA-N 1 0 317.349 1.407 20 5 DCBDRO NC(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450594799 417242457 /nfs/dbraw/zinc/24/24/57/417242457.db2.gz KVUUPLHKMCEKSW-LBPRGKRZSA-N 1 0 322.365 0.952 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000570464702 417359298 /nfs/dbraw/zinc/35/92/98/417359298.db2.gz TYOPFNGINVMEDN-WDEREUQCSA-N 1 0 318.333 0.287 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCCCO)cc1 ZINC000570280094 417335410 /nfs/dbraw/zinc/33/54/10/417335410.db2.gz YWKOGFAYVLUXSS-UHFFFAOYSA-N 1 0 302.352 0.731 20 5 DCBDRO CO[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451754524 417393895 /nfs/dbraw/zinc/39/38/95/417393895.db2.gz CEFNWXGKGXMCNQ-MPKXVKKWSA-N 1 0 312.322 0.026 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000576716548 417632113 /nfs/dbraw/zinc/63/21/13/417632113.db2.gz VKIAWSIZUZFZKE-JTQLQIEISA-N 1 0 309.370 1.490 20 5 DCBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000457110100 417690994 /nfs/dbraw/zinc/69/09/94/417690994.db2.gz HUCBAKJGFKXOBB-LBPRGKRZSA-N 1 0 322.365 0.698 20 5 DCBDRO COc1ccc(CC(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000577171758 417669070 /nfs/dbraw/zinc/66/90/70/417669070.db2.gz DGLXRSVAXOCWDH-GFCCVEGCSA-N 1 0 322.365 0.166 20 5 DCBDRO CNc1nccc(C(=O)NCC[N@H+]2CC=C(C)CC2)c1[N+](=O)[O-] ZINC000577744631 417680020 /nfs/dbraw/zinc/68/00/20/417680020.db2.gz RQSUQYQFWPVHNJ-UHFFFAOYSA-N 1 0 319.365 1.413 20 5 DCBDRO CC1(C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCO[C@@H]21 ZINC000451480632 287465678 /nfs/dbraw/zinc/46/56/78/287465678.db2.gz QTNDKWJYIURSQZ-DGAVXFQQSA-N 1 0 324.381 0.945 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000237147831 261158786 /nfs/dbraw/zinc/15/87/86/261158786.db2.gz BLHRNQCURCHCAQ-QWRGUYRKSA-N 1 0 322.365 0.685 20 5 DCBDRO CC(C)C[C@@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304315450 261173323 /nfs/dbraw/zinc/17/33/23/261173323.db2.gz ODAWVJVYDRJNBS-TZMCWYRMSA-N 1 0 312.370 0.899 20 5 DCBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C ZINC000354421191 261217488 /nfs/dbraw/zinc/21/74/88/261217488.db2.gz FFZXSRDNIZCHBE-GHMZBOCLSA-N 1 0 310.358 0.518 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000363688882 262127869 /nfs/dbraw/zinc/12/78/69/262127869.db2.gz DOSUVAOJQLECOX-LBPRGKRZSA-N 1 0 320.349 0.453 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000394075569 262161639 /nfs/dbraw/zinc/16/16/39/262161639.db2.gz ODAIMYQECRHCBY-BTKRWWFXSA-N 1 0 304.350 0.628 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000417224332 262247617 /nfs/dbraw/zinc/24/76/17/262247617.db2.gz HYAXJMPTCWSEQO-CQSZACIVSA-N 1 0 322.365 0.897 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000417762093 262261220 /nfs/dbraw/zinc/26/12/20/262261220.db2.gz IEKSPFDMJGCWED-ZDUSSCGKSA-N 1 0 322.365 0.815 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418780493 262289136 /nfs/dbraw/zinc/28/91/36/262289136.db2.gz KQJADPJTIWFSNJ-VHSXEESVSA-N 1 0 308.338 0.578 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418788158 262290165 /nfs/dbraw/zinc/29/01/65/262290165.db2.gz VFKZUDJFSSUDPH-KWBADKCTSA-N 1 0 320.349 0.578 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000418871369 262294377 /nfs/dbraw/zinc/29/43/77/262294377.db2.gz QRNZAILOTFYASW-LLVKDONJSA-N 1 0 320.349 0.074 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418927453 262299271 /nfs/dbraw/zinc/29/92/71/262299271.db2.gz WZQQTENLIWOYSK-LBPRGKRZSA-N 1 0 320.349 0.074 20 5 DCBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000419003123 262303201 /nfs/dbraw/zinc/30/32/01/262303201.db2.gz MVSWSUGTFKUIPH-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419152048 262313619 /nfs/dbraw/zinc/31/36/19/262313619.db2.gz NWIRIQZJIAHWPX-JOYOIKCWSA-N 1 0 320.349 0.626 20 5 DCBDRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000419152507 262313687 /nfs/dbraw/zinc/31/36/87/262313687.db2.gz OIBHOUDYSDSSPV-QWRGUYRKSA-N 1 0 320.349 0.640 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000420398527 262373064 /nfs/dbraw/zinc/37/30/64/262373064.db2.gz ANAWFDDHBCKOJT-GFCCVEGCSA-N 1 0 313.379 0.809 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]([NH3+])C1 ZINC000430641025 262620497 /nfs/dbraw/zinc/62/04/97/262620497.db2.gz SAACTOWXMCZADC-VHSXEESVSA-N 1 0 308.338 0.963 20 5 DCBDRO CO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C[NH3+])C1 ZINC000359230022 271107562 /nfs/dbraw/zinc/10/75/62/271107562.db2.gz OYUIAHORMAPQKR-NXEZZACHSA-N 1 0 308.338 0.755 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420440191 271369433 /nfs/dbraw/zinc/36/94/33/271369433.db2.gz NHARSGSULUHAJB-RQJHMYQMSA-N 1 0 321.330 0.757 20 5 DCBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000420440747 271369584 /nfs/dbraw/zinc/36/95/84/271369584.db2.gz NVEREEUGNSTDAC-ZETCQYMHSA-N 1 0 321.330 0.758 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000422798340 271387181 /nfs/dbraw/zinc/38/71/81/271387181.db2.gz QRXNOZJPOVFEDZ-UHFFFAOYSA-N 1 0 308.338 0.487 20 5 DCBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000449693349 271858550 /nfs/dbraw/zinc/85/85/50/271858550.db2.gz DLVNBIZAEYAMKD-JTQLQIEISA-N 1 0 324.406 0.950 20 5 DCBDRO COc1ccc(OCC[N@@H+]2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000459714467 272006727 /nfs/dbraw/zinc/00/67/27/272006727.db2.gz UTLCUDQKPDSKGJ-GXFFZTMASA-N 1 0 312.322 0.267 20 5 DCBDRO COCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000517129404 272458542 /nfs/dbraw/zinc/45/85/42/272458542.db2.gz LFVNQQYCDBKXBW-CYBMUJFWSA-N 1 0 312.370 0.949 20 5 DCBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515376337 287654178 /nfs/dbraw/zinc/65/41/78/287654178.db2.gz JITRVCRTLIRXKT-AAEUAGOBSA-N 1 0 320.353 0.553 20 5 DCBDRO CN(C)S(=O)(=O)c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000037365573 276815829 /nfs/dbraw/zinc/81/58/29/276815829.db2.gz DFCALTVYCWKQKC-UHFFFAOYSA-N 1 0 314.367 0.255 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000552436178 288275051 /nfs/dbraw/zinc/27/50/51/288275051.db2.gz QGLYRXXPJXMYQQ-RYUDHWBXSA-N 1 0 309.322 0.107 20 5 DCBDRO C[NH+](C)C1CCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000554876693 288339853 /nfs/dbraw/zinc/33/98/53/288339853.db2.gz BDTRNTUDCJQUOI-UHFFFAOYSA-N 1 0 310.358 0.074 20 5 DCBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c2nccn21 ZINC000564205548 288729937 /nfs/dbraw/zinc/72/99/37/288729937.db2.gz ZLQAMNCZGJJUHQ-JLLWLGSASA-N 1 0 306.326 0.644 20 5 DCBDRO CCc1ccnc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000564864571 288779764 /nfs/dbraw/zinc/77/97/64/288779764.db2.gz PDHSTYJCOFTUOE-CQSZACIVSA-N 1 0 305.338 0.899 20 5 DCBDRO NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000130626666 295148789 /nfs/dbraw/zinc/14/87/89/295148789.db2.gz UIPMYHUWLYXKLQ-RYUDHWBXSA-N 1 0 308.338 0.390 20 5 DCBDRO C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000570836559 332826345 /nfs/dbraw/zinc/82/63/45/332826345.db2.gz GMPKARJSTAEFEC-YRGRVCCFSA-N 1 0 312.370 0.947 20 5 DCBDRO CNc1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000574915899 332849713 /nfs/dbraw/zinc/84/97/13/332849713.db2.gz KGQDOOLAXLYQBR-NSHDSACASA-N 1 0 308.338 0.826 20 5 DCBDRO CO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000583379687 332374304 /nfs/dbraw/zinc/37/43/04/332374304.db2.gz LGIRRPINWNURQT-DGCLKSJQSA-N 1 0 309.322 0.927 20 5 DCBDRO [NH3+]Cc1nnnn1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000580309429 333092365 /nfs/dbraw/zinc/09/23/65/333092365.db2.gz XNWUBUKRPCDHCK-UHFFFAOYSA-N 1 0 319.281 0.038 20 5 DCBDRO [NH3+]CCn1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000582133969 333166690 /nfs/dbraw/zinc/16/66/90/333166690.db2.gz YWCGZRRPLUPPEB-UHFFFAOYSA-N 1 0 302.294 0.348 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000584590353 337368942 /nfs/dbraw/zinc/36/89/42/337368942.db2.gz YSCAGEJAOCEYBE-SNVBAGLBSA-N 1 0 304.310 0.643 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](CO)CC(F)F ZINC000575181017 341783883 /nfs/dbraw/zinc/78/38/83/341783883.db2.gz MAGUTVKYCYFWFY-UWVGGRQHSA-N 1 0 320.292 0.940 20 5 DCBDRO C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000155093093 533836320 /nfs/dbraw/zinc/83/63/20/533836320.db2.gz QOZUSUUPTMUWSP-JTQLQIEISA-N 1 0 321.333 0.729 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415786804 534367105 /nfs/dbraw/zinc/36/71/05/534367105.db2.gz PUJSDULMCNOQNE-ZWNOBZJWSA-N 1 0 318.333 0.744 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415786801 534367120 /nfs/dbraw/zinc/36/71/20/534367120.db2.gz PUJSDULMCNOQNE-MFKMUULPSA-N 1 0 318.333 0.744 20 5 DCBDRO C[NH2+]CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000237132125 522012203 /nfs/dbraw/zinc/01/22/03/522012203.db2.gz HGBKQPQIPWCIQB-UHFFFAOYSA-N 1 0 304.310 0.433 20 5 DCBDRO C[NH2+]C[C@@H](C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237176937 522024911 /nfs/dbraw/zinc/02/49/11/522024911.db2.gz IUGZGBQYIXXESA-GHMZBOCLSA-N 1 0 307.354 0.858 20 5 DCBDRO CN(CC(=O)NCCN1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000237058524 522478635 /nfs/dbraw/zinc/47/86/35/522478635.db2.gz DTONAOAYGGYJAD-UHFFFAOYSA-N 1 0 321.381 0.052 20 5 DCBDRO C[N@H+](CCc1nccs1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000158012197 522990528 /nfs/dbraw/zinc/99/05/28/522990528.db2.gz WERFNYXDHMEYCA-NSHDSACASA-N 1 0 311.367 0.783 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269198494 524309934 /nfs/dbraw/zinc/30/99/34/524309934.db2.gz JQBGLAQDTUKQAI-SNVBAGLBSA-N 1 0 308.338 0.520 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237430344 524840673 /nfs/dbraw/zinc/84/06/73/524840673.db2.gz UCGJGHIQONTEDD-JQWIXIFHSA-N 1 0 308.338 0.485 20 5 DCBDRO C[NH2+][C@H](C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420428858 536402719 /nfs/dbraw/zinc/40/27/19/536402719.db2.gz LQVJUCNNHBXWPX-SNVBAGLBSA-N 1 0 301.368 0.665 20 5 DCBDRO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[NH2+]C1 ZINC000269197709 525142373 /nfs/dbraw/zinc/14/23/73/525142373.db2.gz LZGZDCDPMNPFGK-MNOVXSKESA-N 1 0 308.338 0.261 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[NH2+]CC1 ZINC000237620876 525232590 /nfs/dbraw/zinc/23/25/90/525232590.db2.gz ZVQDVXRDNLONIO-NSHDSACASA-N 1 0 320.349 0.535 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCC[NH3+] ZINC000237550921 525346139 /nfs/dbraw/zinc/34/61/39/525346139.db2.gz OLKIUAWRGASPHB-SNVBAGLBSA-N 1 0 308.338 0.568 20 5 DCBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCN1CC[NH2+]CC1 ZINC000238082269 527637137 /nfs/dbraw/zinc/63/71/37/527637137.db2.gz CXJBARTWBXBGHA-AATRIKPKSA-N 1 0 304.350 0.629 20 5 DCBDRO CC1CC[NH+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330733659 528243008 /nfs/dbraw/zinc/24/30/08/528243008.db2.gz KSJYLNNIBYQHCH-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993134 528742626 /nfs/dbraw/zinc/74/26/26/528742626.db2.gz STZMMYGPGPPWIV-KGLIPLIRSA-N 1 0 311.386 0.424 20 5 DCBDRO COC(=O)c1cc(C)nc(N2CC[N@@H+]3CC[C@H]2C3)c1[N+](=O)[O-] ZINC000599084165 546307944 /nfs/dbraw/zinc/30/79/44/546307944.db2.gz UAVXGFIWVDQMMH-JTQLQIEISA-N 1 0 306.322 0.979 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000825856202 607737626 /nfs/dbraw/zinc/73/76/26/607737626.db2.gz RIWAFGVDOSXCAT-CYBMUJFWSA-N 1 0 321.341 0.499 20 5 DCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000820778068 606803912 /nfs/dbraw/zinc/80/39/12/606803912.db2.gz UZKAZMJMXDZCBR-LDYMZIIASA-N 1 0 318.341 0.556 20 5 DCBDRO Cc1cccnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064063 658816514 /nfs/dbraw/zinc/81/65/14/658816514.db2.gz TZEYKBOQTWRBPN-GFQSEFKGSA-N 1 0 304.350 0.792 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776661 659557179 /nfs/dbraw/zinc/55/71/79/659557179.db2.gz DLQZUPLDBOMDKW-RGDJUOJXSA-N 1 0 309.366 0.125 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000261775582 661641800 /nfs/dbraw/zinc/64/18/00/661641800.db2.gz WKRANRHZDYIEFT-WCBMZHEXSA-N 1 0 315.351 0.714 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000841161185 661664416 /nfs/dbraw/zinc/66/44/16/661664416.db2.gz KVTXVBKQXVAHQW-QMMMGPOBSA-N 1 0 310.285 0.540 20 5 DCBDRO C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261822943 661730080 /nfs/dbraw/zinc/73/00/80/661730080.db2.gz UCFOJBGSNZVUFK-APPZFPTMSA-N 1 0 303.315 0.844 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000925007617 661872267 /nfs/dbraw/zinc/87/22/67/661872267.db2.gz STDXCPZHXVUJQN-UHFFFAOYSA-N 1 0 315.757 0.831 20 5 DCBDRO Cn1cncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983648902 661997068 /nfs/dbraw/zinc/99/70/68/661997068.db2.gz LLPIBPFMLDRQBR-FPQZTECRSA-N 1 0 307.354 0.070 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]CC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983658170 662002537 /nfs/dbraw/zinc/00/25/37/662002537.db2.gz RTRWCFKPNRWCSV-AAVRWANBSA-N 1 0 311.382 0.563 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895844108 662221452 /nfs/dbraw/zinc/22/14/52/662221452.db2.gz OEWNBWYDAHOVDD-OAHLLOKOSA-N 1 0 319.361 0.974 20 5 DCBDRO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285308 663451126 /nfs/dbraw/zinc/45/11/26/663451126.db2.gz IRTAEYJUVVYHFS-IUODEOHRSA-N 1 0 309.366 0.939 20 5 DCBDRO CN1CC[N@H+](C)CC(C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000906430302 663616241 /nfs/dbraw/zinc/61/62/41/663616241.db2.gz BGQNLONFFJJCBF-UHFFFAOYSA-N 1 0 306.366 0.704 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912610455 664195030 /nfs/dbraw/zinc/19/50/30/664195030.db2.gz QRZIHYXFWLJIIT-UHFFFAOYSA-N 1 0 311.338 0.600 20 5 DCBDRO C[C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000157118609 664412924 /nfs/dbraw/zinc/41/29/24/664412924.db2.gz DYUNQIIQAFCMDV-QMMMGPOBSA-N 1 0 305.331 0.962 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913682033 664712815 /nfs/dbraw/zinc/71/28/15/664712815.db2.gz MECROUMNBRTKLQ-UHFFFAOYSA-N 1 0 310.354 0.462 20 5 DCBDRO O=C(C[NH+]1CCCC1)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001031389195 665130760 /nfs/dbraw/zinc/13/07/60/665130760.db2.gz FVPVOJCPPKOSCH-UHFFFAOYSA-N 1 0 318.377 0.991 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996428804 666790690 /nfs/dbraw/zinc/79/06/90/666790690.db2.gz HQAUHNIBCWQJAX-VXGBXAGGSA-N 1 0 310.379 0.889 20 5 DCBDRO Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428858 666790700 /nfs/dbraw/zinc/79/07/00/666790700.db2.gz JJUUWRUKIMRCEL-VXGBXAGGSA-N 1 0 307.354 0.166 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000861911888 666995058 /nfs/dbraw/zinc/99/50/58/666995058.db2.gz GEVRYCYGAXCCCD-DGAVXFQQSA-N 1 0 305.334 0.647 20 5 DCBDRO NC(=O)C(=O)N1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000996940630 667035354 /nfs/dbraw/zinc/03/53/54/667035354.db2.gz HGENZVNSRWPGTE-UHFFFAOYSA-N 1 0 312.351 0.222 20 5 DCBDRO CON(C)C(=O)[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863586382 667160583 /nfs/dbraw/zinc/16/05/83/667160583.db2.gz FXUWNVANZBEQRC-SNVBAGLBSA-N 1 0 324.337 0.921 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)Cc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000864658841 667272057 /nfs/dbraw/zinc/27/20/57/667272057.db2.gz RKXCZGHHPPCDAC-UHFFFAOYSA-N 1 0 324.356 0.640 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000923361399 667519152 /nfs/dbraw/zinc/51/91/52/667519152.db2.gz QLPHEKZUZYCUHP-KYOSRNDESA-N 1 0 307.350 0.628 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000923531607 667556366 /nfs/dbraw/zinc/55/63/66/667556366.db2.gz TXHXJBUCODVHHA-UONOGXRCSA-N 1 0 309.370 0.370 20 5 DCBDRO COC(=O)[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000886244945 667745038 /nfs/dbraw/zinc/74/50/38/667745038.db2.gz FXGTVVGEOSGUBD-GFCCVEGCSA-N 1 0 308.338 0.526 20 5 DCBDRO C[C@H](CN1CCOCC1)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749674314 667960170 /nfs/dbraw/zinc/96/01/70/667960170.db2.gz HTAMQYGRMWWQRA-IUODEOHRSA-N 1 0 309.366 0.939 20 5 DCBDRO Cn1c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000889781724 667996616 /nfs/dbraw/zinc/99/66/16/667996616.db2.gz OIKVIZNNUJXIOK-NEPJUHHUSA-N 1 0 322.365 0.605 20 5 DCBDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])nc2)C1 ZINC000839708257 668135617 /nfs/dbraw/zinc/13/56/17/668135617.db2.gz HIUNXIVRDFJDQF-YNEHKIRRSA-N 1 0 319.365 0.826 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000874837026 668225133 /nfs/dbraw/zinc/22/51/33/668225133.db2.gz GADRMWZXBDZXFM-QWHCGFSZSA-N 1 0 320.349 0.452 20 5 DCBDRO C[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCC1(C)C ZINC000875396929 668311824 /nfs/dbraw/zinc/31/18/24/668311824.db2.gz QANYERFIQWVBQF-UHFFFAOYSA-N 1 0 324.385 0.917 20 5 DCBDRO O=C1C[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000877159611 668569491 /nfs/dbraw/zinc/56/94/91/668569491.db2.gz ZWIIPKJMXOJGAP-YZRBJQDESA-N 1 0 305.338 0.848 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877283983 668590816 /nfs/dbraw/zinc/59/08/16/668590816.db2.gz ZFLVRGBMJOFPCK-NEPJUHHUSA-N 1 0 306.322 0.109 20 5 DCBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768909253 668627185 /nfs/dbraw/zinc/62/71/85/668627185.db2.gz JXYNUEZCXVJFGP-UHFFFAOYSA-N 1 0 323.396 0.249 20 5 DCBDRO Cc1nn(CN2CC[NH+](CCC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000779866802 668945926 /nfs/dbraw/zinc/94/59/26/668945926.db2.gz MGJWPDRCYCJDES-UHFFFAOYSA-N 1 0 324.385 0.153 20 5 DCBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C1(O)CCOCC1 ZINC000930355550 668999882 /nfs/dbraw/zinc/99/98/82/668999882.db2.gz ZONRXMBUGRCHTD-HNNXBMFYSA-N 1 0 324.377 0.972 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573505 669066098 /nfs/dbraw/zinc/06/60/98/669066098.db2.gz OYCHQGMXAHRLJN-BNOWGMLFSA-N 1 0 309.370 0.178 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000930874766 669098474 /nfs/dbraw/zinc/09/84/74/669098474.db2.gz ILTOQFSBEXARJW-PHIMTYICSA-N 1 0 305.338 0.745 20 5 DCBDRO C[NH+](C)C[C@H](O)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000782948067 669133215 /nfs/dbraw/zinc/13/32/15/669133215.db2.gz NMQSJXOIZOFCIV-SSDOTTSWSA-N 1 0 323.396 0.394 20 5 DCBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000786775192 669329378 /nfs/dbraw/zinc/32/93/78/669329378.db2.gz FILFJEZEGCFBST-UWVGGRQHSA-N 1 0 311.363 0.654 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000934394521 669600538 /nfs/dbraw/zinc/60/05/38/669600538.db2.gz HCDHCEMERSPTDB-KOLCDFICSA-N 1 0 307.354 0.841 20 5 DCBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794970441 669869566 /nfs/dbraw/zinc/86/95/66/669869566.db2.gz YVTIHOFWORIUGC-RQJABVFESA-N 1 0 306.318 0.979 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCCC1 ZINC000808221929 670400298 /nfs/dbraw/zinc/40/02/98/670400298.db2.gz UFSNFCHJPGYXJP-ZDUSSCGKSA-N 1 0 307.350 0.710 20 5 DCBDRO NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819157133 671099621 /nfs/dbraw/zinc/09/96/21/671099621.db2.gz UKSAWJZWQQKQJB-UPJWGTAASA-N 1 0 309.322 0.251 20 5 DCBDRO Cn1nncc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819314467 671111308 /nfs/dbraw/zinc/11/13/08/671111308.db2.gz BQPAOGVGACCXLG-NSHDSACASA-N 1 0 307.310 0.253 20 5 DCBDRO CON(C)C(=O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819373248 671115005 /nfs/dbraw/zinc/11/50/05/671115005.db2.gz DBNMXIGBSOBHRS-UHFFFAOYSA-N 1 0 310.310 0.533 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCC12CC(C1)C[NH2+]2 ZINC000852916659 671194361 /nfs/dbraw/zinc/19/43/61/671194361.db2.gz COLPUFJJBBQUHD-UHFFFAOYSA-N 1 0 309.297 0.981 20 5 DCBDRO CCC[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821114531 671254945 /nfs/dbraw/zinc/25/49/45/671254945.db2.gz WBERYROKLPUPPP-UHFFFAOYSA-N 1 0 318.341 0.702 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000827598735 671533345 /nfs/dbraw/zinc/53/33/45/671533345.db2.gz UGACGCDBJGMBCT-GJZGRUSLSA-N 1 0 321.381 0.900 20 5 DCBDRO C[C@H]1C[N@H+](CCO)CCN1c1nc2ccccn2c1[N+](=O)[O-] ZINC000829578000 671580569 /nfs/dbraw/zinc/58/05/69/671580569.db2.gz UGDKBTTZGQZHEA-NSHDSACASA-N 1 0 305.338 0.745 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000842825517 672041415 /nfs/dbraw/zinc/04/14/15/672041415.db2.gz UUATTXJVTICUKZ-UHFFFAOYSA-N 1 0 303.340 0.443 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccccc1 ZINC000843060838 672056993 /nfs/dbraw/zinc/05/69/93/672056993.db2.gz CROCNRPYRIVOHN-GLQYFDAESA-N 1 0 320.349 0.864 20 5 DCBDRO Cn1cc([C@@H](O)C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000843091120 672060663 /nfs/dbraw/zinc/06/06/63/672060663.db2.gz GGMYAEWQJOEJQT-KBPBESRZSA-N 1 0 306.322 0.685 20 5 DCBDRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000843370392 672088284 /nfs/dbraw/zinc/08/82/84/672088284.db2.gz RBQFGMOMDBCMQN-CQSZACIVSA-N 1 0 322.365 0.892 20 5 DCBDRO CC(C)n1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138808 693709896 /nfs/dbraw/zinc/70/98/96/693709896.db2.gz BJDHSVXDIRRUJJ-DDHJBXDOSA-N 1 0 322.369 0.261 20 5 DCBDRO Cc1nnc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001754370496 1157715176 /nfs/dbraw/zinc/71/51/76/1157715176.db2.gz DIOBQZBYJVUAKZ-NXEZZACHSA-N 1 0 313.383 0.450 20 5 DCBDRO CN(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520610 1159057514 /nfs/dbraw/zinc/05/75/14/1159057514.db2.gz YFICNNIKCZEFMH-YNEHKIRRSA-N 1 0 311.386 0.471 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cncn1 ZINC001567602478 1160437340 /nfs/dbraw/zinc/43/73/40/1160437340.db2.gz CPOVTWXKMFWTGT-UHFFFAOYSA-N 1 0 318.337 0.435 20 5 DCBDRO NC(=O)CC(=O)NC/C=C/C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001568829255 1160795208 /nfs/dbraw/zinc/79/52/08/1160795208.db2.gz QBTANEVSODJSRT-ONEGZZNKSA-N 1 0 306.322 0.232 20 5 DCBDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001573960059 1163604375 /nfs/dbraw/zinc/60/43/75/1163604375.db2.gz CQOLVQQUEYPZMM-DZGCQCFKSA-N 1 0 323.349 0.857 20 5 DCBDRO CC(C)(CC[NH3+])NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001575302296 1163966286 /nfs/dbraw/zinc/96/62/86/1163966286.db2.gz QMNGFCRKRZVBSC-UHFFFAOYSA-N 1 0 308.338 0.568 20 5 DCBDRO CC1(C)C[NH2+]CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001576478821 1164360619 /nfs/dbraw/zinc/36/06/19/1164360619.db2.gz QAMIAHQLMURRLR-NSHDSACASA-N 1 0 322.365 0.651 20 5 DCBDRO C[C@@]1(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]C1 ZINC001576534619 1164383259 /nfs/dbraw/zinc/38/32/59/1164383259.db2.gz HNKYOLBBYNUXST-DZGCQCFKSA-N 1 0 318.333 0.956 20 5 DCBDRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-] ZINC001579117692 1165214411 /nfs/dbraw/zinc/21/44/11/1165214411.db2.gz IWFKLDRAWKVBNZ-BXUZGUMPSA-N 1 0 323.349 0.775 20 5 DCBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC001579465550 1165318208 /nfs/dbraw/zinc/31/82/08/1165318208.db2.gz HQOIWKIQGUJKHU-LDYMZIIASA-N 1 0 307.306 0.704 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001579537326 1165340834 /nfs/dbraw/zinc/34/08/34/1165340834.db2.gz NMRDJIMCECAILC-SECBINFHSA-N 1 0 309.297 0.903 20 5 DCBDRO Cc1cc(NC(=O)c2cn(C3C[NH2+]C3)nn2)cc([N+](=O)[O-])c1 ZINC001579635675 1165366227 /nfs/dbraw/zinc/36/62/27/1165366227.db2.gz ZCSZAJDCZIHLHP-UHFFFAOYSA-N 1 0 302.294 0.891 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@@]2(O)CC[NH2+]C2)c1F ZINC001579642658 1165369782 /nfs/dbraw/zinc/36/97/82/1165369782.db2.gz OMKMTFFULOVSKW-CYBMUJFWSA-N 1 0 315.276 0.636 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)C2C[NH2+]C2)cc1F ZINC001579642444 1165370386 /nfs/dbraw/zinc/37/03/86/1165370386.db2.gz FXGVNUYVJZYDPE-UHFFFAOYSA-N 1 0 303.315 0.635 20 5 DCBDRO [NH3+][C@H]1C[C@H](NC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC001580430456 1165601165 /nfs/dbraw/zinc/60/11/65/1165601165.db2.gz MPWXREIIUGVGBL-XYPYZODXSA-N 1 0 301.306 1.000 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]CCO)CC1 ZINC001580449601 1165604882 /nfs/dbraw/zinc/60/48/82/1165604882.db2.gz PLTOLLNVLUEHQK-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO C[C@H]1C[C@@H](O)C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001580448530 1165605005 /nfs/dbraw/zinc/60/50/05/1165605005.db2.gz XMDROGBNJVBBQI-VHSXEESVSA-N 1 0 318.337 0.978 20 5 DCBDRO O=C(CN(C1CC1)C1C[NH2+]C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC001580546764 1165634650 /nfs/dbraw/zinc/63/46/50/1165634650.db2.gz UQSXSXOEGIHYOR-UHFFFAOYSA-N 1 0 316.361 0.920 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580549243 1165635994 /nfs/dbraw/zinc/63/59/94/1165635994.db2.gz QNNUOORGRBGKLC-UHFFFAOYSA-N 1 0 304.310 0.315 20 5 DCBDRO O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)NC1(CCO)C[NH2+]C1 ZINC001580566110 1165641098 /nfs/dbraw/zinc/64/10/98/1165641098.db2.gz NAZKZUNOUFONFP-UHFFFAOYSA-N 1 0 318.333 0.459 20 5 DCBDRO O=C(NCc1cn(C2C[NH2+]C2)nn1)c1cc(F)cc([N+](=O)[O-])c1 ZINC001580726738 1165700107 /nfs/dbraw/zinc/70/01/07/1165700107.db2.gz GSKISQIJQLYRAX-UHFFFAOYSA-N 1 0 320.284 0.400 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccccc1)CC1(O)C[NH2+]C1 ZINC001580807397 1165722066 /nfs/dbraw/zinc/72/20/66/1165722066.db2.gz SMJTXPNBDFPMLB-CHWSQXEVSA-N 1 0 305.334 0.015 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001580840728 1165732847 /nfs/dbraw/zinc/73/28/47/1165732847.db2.gz QNYCKCIULBJWDN-OMVNSRBRSA-N 1 0 316.317 0.604 20 5 DCBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001590522015 1166934960 /nfs/dbraw/zinc/93/49/60/1166934960.db2.gz GBUOQOCNTFKIJC-RNCFNFMXSA-N 1 0 318.337 0.978 20 5 DCBDRO CC[N@H+](CCCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590701705 1166976199 /nfs/dbraw/zinc/97/61/99/1166976199.db2.gz NDGBJYHIZUNYFF-UHFFFAOYSA-N 1 0 306.326 0.979 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001593471370 1167864467 /nfs/dbraw/zinc/86/44/67/1167864467.db2.gz PYWCZFZXCGWVNB-SECBINFHSA-N 1 0 316.325 0.819 20 5 DCBDRO CCc1nccn1CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001595407441 1167971275 /nfs/dbraw/zinc/97/12/75/1167971275.db2.gz WUHMQNOSAYIACY-UHFFFAOYSA-N 1 0 305.294 0.884 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC2(CCO)CC[NH+](C)CC2)n1 ZINC001598428369 1168021176 /nfs/dbraw/zinc/02/11/76/1168021176.db2.gz NLHDHVZQARLTRF-UHFFFAOYSA-N 1 0 322.365 0.875 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604862292 1169717799 /nfs/dbraw/zinc/71/77/99/1169717799.db2.gz BAXGPWOORJXXHF-SECBINFHSA-N 1 0 304.314 0.676 20 5 DCBDRO C[NH+](C)C1(CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001609266316 1170903511 /nfs/dbraw/zinc/90/35/11/1170903511.db2.gz ZAVBVIDTYGJVMM-UHFFFAOYSA-N 1 0 304.314 0.676 20 5 DCBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001609375643 1170954954 /nfs/dbraw/zinc/95/49/54/1170954954.db2.gz PXZFJPJQSJZPCT-PRHODGIISA-N 1 0 304.310 0.730 20 5 DCBDRO Nc1nc(N2CCC([NH2+]C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001612907991 1171366501 /nfs/dbraw/zinc/36/65/01/1171366501.db2.gz GVOMYGAJVXJMOE-UHFFFAOYSA-N 1 0 322.369 0.704 20 5 DCBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1N=NC(=O)N1C ZINC001621418976 1171409791 /nfs/dbraw/zinc/40/97/91/1171409791.db2.gz AZQHSAQFIZJTLF-UEJVZZJDSA-N 1 0 307.314 0.680 20 5 DCBDRO Nc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001629193944 1171543495 /nfs/dbraw/zinc/54/34/95/1171543495.db2.gz XBFDUXJLTKRUHI-LLVKDONJSA-N 1 0 306.322 0.836 20 5 DCBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641856920 1171930963 /nfs/dbraw/zinc/93/09/63/1171930963.db2.gz HQEAJMAIKKSMBG-GXTWGEPZSA-N 1 0 323.349 0.201 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)n1 ZINC001643089210 1171964535 /nfs/dbraw/zinc/96/45/35/1171964535.db2.gz HKHYSSKEWRVZRK-VXGBXAGGSA-N 1 0 322.365 0.825 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC001643421485 1171976129 /nfs/dbraw/zinc/97/61/29/1171976129.db2.gz HVCVDRJSTFVVND-DGCLKSJQSA-N 1 0 311.338 0.134 20 5 DCBDRO COC(=O)[C@@]1(O)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001644291448 1172002433 /nfs/dbraw/zinc/00/24/33/1172002433.db2.gz HDASIFONVOXIEP-TZMCWYRMSA-N 1 0 310.306 0.238 20 5 DCBDRO C[C@H](C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC001651488687 1173749296 /nfs/dbraw/zinc/74/92/96/1173749296.db2.gz JZZQILKDFULPBS-OASPWFOLSA-N 1 0 311.338 0.055 20 5 DCBDRO Cn1cnc(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC001652729115 1173775357 /nfs/dbraw/zinc/77/53/57/1173775357.db2.gz YQSCXTCIFNZNLO-UHFFFAOYSA-N 1 0 305.342 0.846 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC001654517900 1173806142 /nfs/dbraw/zinc/80/61/42/1173806142.db2.gz AEHSJVDEMZEYSS-UHFFFAOYSA-N 1 0 306.326 0.597 20 5 DCBDRO C[C@@](CO)([NH2+]C[C@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001655317962 1173817925 /nfs/dbraw/zinc/81/79/25/1173817925.db2.gz MIZSYNYHNHPXQS-KBPBESRZSA-N 1 0 310.350 0.668 20 5 DCBDRO CN1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)CC1 ZINC001655777586 1173827213 /nfs/dbraw/zinc/82/72/13/1173827213.db2.gz DEXBKYUXUFVKNV-UHFFFAOYSA-N 1 0 321.385 0.183 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC001655823716 1173828134 /nfs/dbraw/zinc/82/81/34/1173828134.db2.gz JNGQUCYSQPYJKW-CHWSQXEVSA-N 1 0 310.354 0.844 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CSCC[NH2+]2)n1 ZINC001655812655 1173828588 /nfs/dbraw/zinc/82/85/88/1173828588.db2.gz WYJLTGZCZMCGAB-MRVPVSSYSA-N 1 0 312.351 0.893 20 5 DCBDRO CC[N@H+](CCC(=O)NC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001656358575 1173858470 /nfs/dbraw/zinc/85/84/70/1173858470.db2.gz AHAFGTDRTFIAEF-UHFFFAOYSA-N 1 0 308.338 0.652 20 5 DCBDRO COc1cc(C[NH2+]CC[C@@H]2CNC(=O)C2)c([N+](=O)[O-])cc1O ZINC001656918400 1173895243 /nfs/dbraw/zinc/89/52/43/1173895243.db2.gz UXQBCYGYFMRLFC-VIFPVBQESA-N 1 0 309.322 0.925 20 5 DCBDRO COC(=O)[C@]1(O)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001659929071 1173936157 /nfs/dbraw/zinc/93/61/57/1173936157.db2.gz LVFJZVDSUVEIPR-AWEZNQCLSA-N 1 0 310.306 0.583 20 5 DCBDRO NS(=O)(=O)C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001660447762 1173994810 /nfs/dbraw/zinc/99/48/10/1173994810.db2.gz MYZHGXRTXXFKQE-LBPRGKRZSA-N 1 0 313.379 0.748 20 5 DCBDRO CCOc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001663924148 1174372047 /nfs/dbraw/zinc/37/20/47/1174372047.db2.gz PHYIDQLTYITPLU-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@H](O)C1 ZINC001681237977 1175882635 /nfs/dbraw/zinc/88/26/35/1175882635.db2.gz LJAQOLQVOWNJJK-AWEZNQCLSA-N 1 0 322.365 0.503 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001685506130 1176036216 /nfs/dbraw/zinc/03/62/16/1176036216.db2.gz SODLVJZHDITZOQ-UHTWSYAYSA-N 1 0 322.369 0.431 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1conc1C ZINC001731307200 1185255362 /nfs/dbraw/zinc/25/53/62/1185255362.db2.gz XUTVCQOXNWFCPT-CHWSQXEVSA-N 1 0 310.354 0.976 20 5 DCBDRO CC[N@H+](CCNC(=O)CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001731799834 1185494569 /nfs/dbraw/zinc/49/45/69/1185494569.db2.gz FLMKLRSOPQMYHU-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]CCn2cccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001734205033 1186579443 /nfs/dbraw/zinc/57/94/43/1186579443.db2.gz KLSOWYIWHFYKOT-FDYHWXHSSA-N 1 0 307.354 0.033 20 5 DCBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1CCOCC1 ZINC001751974280 1188369776 /nfs/dbraw/zinc/36/97/76/1188369776.db2.gz DOTLQMRBOQTKMK-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(OC)nc1 ZINC001753081529 1188493833 /nfs/dbraw/zinc/49/38/33/1188493833.db2.gz IWDVRZSEXGBAQF-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO Cc1cc(C)n(CC[N@@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001753853009 1188664729 /nfs/dbraw/zinc/66/47/29/1188664729.db2.gz IFOVNVNXGKEHEQ-ZIAGYGMSSA-N 1 0 323.397 0.555 20 5 DCBDRO Cn1nccc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124544309 751670035 /nfs/dbraw/zinc/67/00/35/751670035.db2.gz DPSSKOLNQYEYIJ-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO Cc1cc(N2C[C@@H](O)[C@@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001167091586 746969506 /nfs/dbraw/zinc/96/95/06/746969506.db2.gz CPFJOUFSRZDSBK-QWHCGFSZSA-N 1 0 315.333 0.868 20 5 DCBDRO O=[N+]([O-])c1c(NCC2(O)CCOCC2)ncnc1C1C[NH2+]C1 ZINC001167548393 747367067 /nfs/dbraw/zinc/36/70/67/747367067.db2.gz RUINYNXHJXROIL-UHFFFAOYSA-N 1 0 309.326 0.025 20 5 DCBDRO Nc1cc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])ccn1 ZINC001167617563 747429902 /nfs/dbraw/zinc/42/99/02/747429902.db2.gz PPJXVSBRAALMHJ-UHFFFAOYSA-N 1 0 301.310 0.661 20 5 DCBDRO O=C(NCC[NH2+]CCOCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936968 750150901 /nfs/dbraw/zinc/15/09/01/750150901.db2.gz ZCEMVGKRBXDLGD-ZIAGYGMSSA-N 1 0 307.350 0.574 20 5 DCBDRO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1F ZINC001126942508 750156812 /nfs/dbraw/zinc/15/68/12/750156812.db2.gz AWLPXPPKMZGORK-ZYHUDNBSSA-N 1 0 311.313 0.705 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC001168731470 753934359 /nfs/dbraw/zinc/93/43/59/753934359.db2.gz KNHZFKCBEHFWQM-UHFFFAOYSA-N 1 0 304.310 0.623 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CCOC3CCC3)C[C@@H]2C1 ZINC001048813111 754955296 /nfs/dbraw/zinc/95/52/96/754955296.db2.gz AFIVDSJDCVGWBM-AYRXBEOTSA-N 1 0 323.393 0.611 20 5 DCBDRO C[NH+]1CC(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC001170254181 762591931 /nfs/dbraw/zinc/59/19/31/762591931.db2.gz WZBSLSAGCQTAAT-UHFFFAOYSA-N 1 0 308.342 0.195 20 5 DCBDRO COc1ccc(C[C@H](C)n2nnc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001170310483 762606718 /nfs/dbraw/zinc/60/67/18/762606718.db2.gz WSTNWILIAXRJJS-VIFPVBQESA-N 1 0 306.326 0.895 20 5 DCBDRO O=C(NCc1cccc2c1CC[N@@H+](CCO)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001051289018 758569279 /nfs/dbraw/zinc/56/92/79/758569279.db2.gz BPIRUBKUAYELME-HUUCEWRRSA-N 1 0 319.361 0.318 20 5 DCBDRO Cn1nccc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086082937 759690934 /nfs/dbraw/zinc/69/09/34/759690934.db2.gz IQPBNPHBFQLBSU-LYIQGSDWSA-N 1 0 307.354 0.070 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cc[n+]([O-])cc1 ZINC001123039826 767919035 /nfs/dbraw/zinc/91/90/35/767919035.db2.gz JQJSUBXDAYWBNL-UHFFFAOYSA-N 1 0 316.317 0.748 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnon1 ZINC001168875293 760491433 /nfs/dbraw/zinc/49/14/33/760491433.db2.gz LKBSHTTZZQPQAM-UHFFFAOYSA-N 1 0 305.294 0.888 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)nn2)C1 ZINC001168980310 760528701 /nfs/dbraw/zinc/52/87/01/760528701.db2.gz CSSFAVTUBCKWPH-OLZOCXBDSA-N 1 0 321.381 0.848 20 5 DCBDRO CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169002272 760542158 /nfs/dbraw/zinc/54/21/58/760542158.db2.gz JXSJYEMGXBIGNC-USZNOCQGSA-N 1 0 314.386 0.036 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013449 760544214 /nfs/dbraw/zinc/54/42/14/760544214.db2.gz VHHBWXQVFVMWBJ-ZNSHCXBVSA-N 1 0 312.288 0.792 20 5 DCBDRO CS(=O)(=O)N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]C1 ZINC001169041740 760556759 /nfs/dbraw/zinc/55/67/59/760556759.db2.gz CHEGKBOAJYLVPB-IJLUTSLNSA-N 1 0 305.400 0.445 20 5 DCBDRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001169018957 760559351 /nfs/dbraw/zinc/55/93/51/760559351.db2.gz FRTHXUIETCMLNB-QNSTZXKLSA-N 1 0 311.382 0.752 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@@H]2CCCC[NH2+]2)ncnc1N1CCOCC1 ZINC001171329482 767965948 /nfs/dbraw/zinc/96/59/48/767965948.db2.gz JITPMDZWLUOTOP-NSHDSACASA-N 1 0 322.369 0.775 20 5 DCBDRO NC(=O)c1ccnc(NCC23CC[NH+](CC2)CC3)c1[N+](=O)[O-] ZINC001169795671 760862787 /nfs/dbraw/zinc/86/27/87/760862787.db2.gz RJWUQHOHMBBNTR-UHFFFAOYSA-N 1 0 305.338 0.987 20 5 DCBDRO O=[N+]([O-])c1cnc(NCC2(O)CCOCC2)nc1C1C[NH2+]C1 ZINC001156712894 761420743 /nfs/dbraw/zinc/42/07/43/761420743.db2.gz AFOQVGRSTASKLG-UHFFFAOYSA-N 1 0 309.326 0.025 20 5 DCBDRO COc1nc(N(C)[C@]2(C)CCC[NH2+]C2)nc(OC)c1[N+](=O)[O-] ZINC001156967838 761622101 /nfs/dbraw/zinc/62/21/01/761622101.db2.gz JBONQVRSACDFOQ-CYBMUJFWSA-N 1 0 311.342 0.980 20 5 DCBDRO CC(C)(C(N)=O)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129923913 763051922 /nfs/dbraw/zinc/05/19/22/763051922.db2.gz CPNGFNKUBCATBR-UHFFFAOYSA-N 1 0 308.338 0.312 20 5 DCBDRO CCOC(=O)C1=C(Nc2cc([N+](=O)[O-])c(=O)n(C)c2)CC[NH2+]C1 ZINC001170515767 763511147 /nfs/dbraw/zinc/51/11/47/763511147.db2.gz OOURDQABMBTSGI-UHFFFAOYSA-N 1 0 322.321 0.516 20 5 DCBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2c1CNC2=O)[C@H]1C[NH2+]CCO1 ZINC001170569972 763866600 /nfs/dbraw/zinc/86/66/00/763866600.db2.gz BLVRYOHYEUNEJU-QPUJVOFHSA-N 1 0 306.322 0.627 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC3(C2)CCC[NH2+]C3)n1 ZINC001159025375 765245872 /nfs/dbraw/zinc/24/58/72/765245872.db2.gz QVSKAAPZONUJIK-UHFFFAOYSA-N 1 0 306.322 0.966 20 5 DCBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000697578831 765482823 /nfs/dbraw/zinc/48/28/23/765482823.db2.gz BRRSWABEULECTA-CABZTGNLSA-N 1 0 302.352 0.651 20 5 DCBDRO O=[N+]([O-])c1c(Br)ccnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170780595 765739128 /nfs/dbraw/zinc/73/91/28/765739128.db2.gz HJXZBHCDOZLFDZ-SVRRBLITSA-N 1 0 317.143 0.745 20 5 DCBDRO O=[N+]([O-])c1cc(Br)nc(N[C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001170781541 765743408 /nfs/dbraw/zinc/74/34/08/765743408.db2.gz RQXRGPJRLVBCHM-SVRRBLITSA-N 1 0 317.143 0.745 20 5 DCBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001116868858 765921049 /nfs/dbraw/zinc/92/10/49/765921049.db2.gz QLBRJBLWZGQUIT-SNVBAGLBSA-N 1 0 323.353 0.549 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001118034393 766201006 /nfs/dbraw/zinc/20/10/06/766201006.db2.gz BYDHGSGWPUNNEJ-LLVKDONJSA-N 1 0 322.365 0.368 20 5 DCBDRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC001171144956 766812014 /nfs/dbraw/zinc/81/20/14/766812014.db2.gz SLOBRDATFCSSOZ-YPMHNXCESA-N 1 0 323.349 0.910 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC001120289977 766957192 /nfs/dbraw/zinc/95/71/92/766957192.db2.gz LOHLYVCITTVSDB-GRYCIOLGSA-N 1 0 322.369 0.375 20 5 DCBDRO CC1(C)CCCN1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001120503802 767046742 /nfs/dbraw/zinc/04/67/42/767046742.db2.gz YWWVXSNNIGCWGF-ZDUSSCGKSA-N 1 0 311.386 0.616 20 5 DCBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001146891198 767556234 /nfs/dbraw/zinc/55/62/34/767556234.db2.gz QSVIXUVOIQCYKC-UHFFFAOYSA-N 1 0 323.397 0.790 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)n1 ZINC001147352419 767721459 /nfs/dbraw/zinc/72/14/59/767721459.db2.gz LLKAQUIBFHBNLY-BXUZGUMPSA-N 1 0 321.381 0.662 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@]12CC[NH2+]C2 ZINC001122411605 767795433 /nfs/dbraw/zinc/79/54/33/767795433.db2.gz KXWHZLHVYMHIJU-CQSZACIVSA-N 1 0 306.322 0.111 20 5 DCBDRO Cc1cc(NCCNC(=O)C23CC[NH+](CC2)C3)ncc1[N+](=O)[O-] ZINC001093768937 768719683 /nfs/dbraw/zinc/71/96/83/768719683.db2.gz RJSZBHGBKGXVJN-UHFFFAOYSA-N 1 0 319.365 0.922 20 5 DCBDRO CCOc1cc(Cl)nnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001233690358 769427880 /nfs/dbraw/zinc/42/78/80/769427880.db2.gz YMQHHPPZHMWOMW-SECBINFHSA-N 1 0 318.781 0.891 20 5 DCBDRO C[N@H+](CCCNC(=O)CNC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001233706531 769432289 /nfs/dbraw/zinc/43/22/89/769432289.db2.gz ZOGVALCQPVGGHP-UHFFFAOYSA-N 1 0 323.353 0.201 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](CO)C(N)=O)c1F ZINC001173192383 769557499 /nfs/dbraw/zinc/55/74/99/769557499.db2.gz PPHLGTGBRHWSTE-IONNQARKSA-N 1 0 315.301 0.109 20 5 DCBDRO C[NH+](C)CCC(=O)N1CCCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001095204721 769650346 /nfs/dbraw/zinc/65/03/46/769650346.db2.gz BMAKNHKLCFEXME-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO O=C1NCCC2(CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)O1 ZINC001176665719 770145139 /nfs/dbraw/zinc/14/51/39/770145139.db2.gz XLOAPRHWDOZZGE-UHFFFAOYSA-N 1 0 309.326 0.756 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001155152198 770414726 /nfs/dbraw/zinc/41/47/26/770414726.db2.gz IYDOKBARDYDPGY-LBPRGKRZSA-N 1 0 324.337 0.715 20 5 DCBDRO NC(=O)CCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001177390290 770433822 /nfs/dbraw/zinc/43/38/22/770433822.db2.gz IAEBUUIRJSWBFD-UHFFFAOYSA-N 1 0 322.365 0.846 20 5 DCBDRO Nc1nc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155375475 770481167 /nfs/dbraw/zinc/48/11/67/770481167.db2.gz FDYMGQLRBWVFRW-NSHDSACASA-N 1 0 306.370 0.431 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1nnn2c1C[NH2+]CCC2 ZINC001155397984 770491223 /nfs/dbraw/zinc/49/12/23/770491223.db2.gz PGXXJFXZQZLFBF-UHFFFAOYSA-N 1 0 319.325 0.234 20 5 DCBDRO Cc1cnc(NCc2nnc3n2CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155424488 770496868 /nfs/dbraw/zinc/49/68/68/770496868.db2.gz CVTPPGZRGSFHOB-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001155482821 770519439 /nfs/dbraw/zinc/51/94/39/770519439.db2.gz GRMWERITFBLWPL-IWSPIJDZSA-N 1 0 313.745 0.993 20 5 DCBDRO COC(=O)c1ccnc(NC[C@]23C[NH2+]C[C@H]2COC3)c1[N+](=O)[O-] ZINC001155516713 770533086 /nfs/dbraw/zinc/53/30/86/770533086.db2.gz JGCJZWOMQSCVQG-XPTSAGLGSA-N 1 0 322.321 0.424 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cnc3cc([N+](=O)[O-])ccc3n2)N1 ZINC001155570397 770547823 /nfs/dbraw/zinc/54/78/23/770547823.db2.gz MSQLKJTUCPQFIP-BXUZGUMPSA-N 1 0 314.305 0.528 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)N1 ZINC001155574470 770550773 /nfs/dbraw/zinc/55/07/73/770550773.db2.gz HMEHLLIITGNDOP-RNCFNFMXSA-N 1 0 302.294 0.461 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cocn1 ZINC001155731622 770600571 /nfs/dbraw/zinc/60/05/71/770600571.db2.gz DCPVJOBYFOMGPE-UHFFFAOYSA-N 1 0 308.298 0.226 20 5 DCBDRO COc1nc(N(c2ncccn2)C2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC001155870158 770645352 /nfs/dbraw/zinc/64/53/52/770645352.db2.gz SEEQJLQMILFWPJ-UHFFFAOYSA-N 1 0 302.294 0.898 20 5 DCBDRO NC(=O)CC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001156006911 770686380 /nfs/dbraw/zinc/68/63/80/770686380.db2.gz SGULYLOLOZBHCJ-UHFFFAOYSA-N 1 0 300.340 0.128 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC001181441739 771292331 /nfs/dbraw/zinc/29/23/31/771292331.db2.gz IOAYLPBIKWAYRI-KPXOXKRLSA-N 1 0 305.338 0.642 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccc2nonc2c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767813 771666986 /nfs/dbraw/zinc/66/69/86/771666986.db2.gz VSJKAOAWRFVOFH-ZWNOBZJWSA-N 1 0 319.321 0.484 20 5 DCBDRO O=C(NCCC[NH2+]CCOc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775377 771670665 /nfs/dbraw/zinc/67/06/65/771670665.db2.gz QBNYEXZWMKMYMI-ZIAGYGMSSA-N 1 0 307.350 0.827 20 5 DCBDRO [NH3+]Cc1nnnn1-c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001158075009 771721841 /nfs/dbraw/zinc/72/18/41/771721841.db2.gz OXRJUESOUYSGHM-UHFFFAOYSA-N 1 0 306.673 0.626 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001158634625 771797106 /nfs/dbraw/zinc/79/71/06/771797106.db2.gz GJGHAFAUYSEQDX-SMDDNHRTSA-N 1 0 321.337 0.425 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001158634823 771797691 /nfs/dbraw/zinc/79/76/91/771797691.db2.gz HESBGVYWINIFFJ-BXUZGUMPSA-N 1 0 321.337 0.303 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001158638579 771799148 /nfs/dbraw/zinc/79/91/48/771799148.db2.gz STNOSTUNPRSDJS-FZMZJTMJSA-N 1 0 324.312 0.860 20 5 DCBDRO [NH3+][C@@H]1CN(c2ncnc3cc([N+](=O)[O-])ccc32)CC12COC2 ZINC001158762625 771818728 /nfs/dbraw/zinc/81/87/28/771818728.db2.gz QQIHFPLAHFTBMS-GFCCVEGCSA-N 1 0 301.306 0.702 20 5 DCBDRO [NH3+][C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)CC12COC2 ZINC001158768332 771819490 /nfs/dbraw/zinc/81/94/90/771819490.db2.gz BKGDDLBHONCJKE-LLVKDONJSA-N 1 0 301.306 0.702 20 5 DCBDRO C[C@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@@H]1C[NH2+]CCO1 ZINC001159500210 771920115 /nfs/dbraw/zinc/92/01/15/771920115.db2.gz QXRVEFPBOIQKRQ-CBAPKCEASA-N 1 0 302.718 0.670 20 5 DCBDRO COc1cnc(N[C@]2(C[NH3+])CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001160510738 772053528 /nfs/dbraw/zinc/05/35/28/772053528.db2.gz JGMDRWZDQCOKCA-CQSZACIVSA-N 1 0 307.354 0.833 20 5 DCBDRO [NH3+]CCN(CCNc1ccc2[nH]cc([N+](=O)[O-])c2n1)N(O)N=O ZINC001161092170 772167064 /nfs/dbraw/zinc/16/70/64/772167064.db2.gz MERXATXWIRTWPT-UHFFFAOYSA-N 1 0 324.301 0.431 20 5 DCBDRO CC[N@@H+]1CC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001187422267 772183961 /nfs/dbraw/zinc/18/39/61/772183961.db2.gz GOPPUNKCHBHUHH-SECBINFHSA-N 1 0 314.367 0.748 20 5 DCBDRO C[C@@H]1C[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCO1 ZINC001161692826 772266878 /nfs/dbraw/zinc/26/68/78/772266878.db2.gz YQHHCYBDUFOZDO-MNOVXSKESA-N 1 0 322.369 0.774 20 5 DCBDRO O=C1CCCCN1CCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001161937992 772302400 /nfs/dbraw/zinc/30/24/00/772302400.db2.gz XOOLKANLVIGHOR-UHFFFAOYSA-N 1 0 320.353 0.496 20 5 DCBDRO COCCC1([NH3+])CCN(c2ncc([N+](=O)[O-])c(OC)n2)CC1 ZINC001162040291 772317784 /nfs/dbraw/zinc/31/77/84/772317784.db2.gz RFXVRNDUZRAGAL-UHFFFAOYSA-N 1 0 311.342 0.728 20 5 DCBDRO COCC1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](C(C)C)CC1 ZINC001162270819 772349652 /nfs/dbraw/zinc/34/96/52/772349652.db2.gz SBMVDRMSBPPARH-CHWSQXEVSA-N 1 0 313.398 0.905 20 5 DCBDRO [NH3+][C@H]1CCC[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC001162391181 772367707 /nfs/dbraw/zinc/36/77/07/772367707.db2.gz AKZSSCCOYVNIQG-QWRGUYRKSA-N 1 0 322.369 0.903 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CC[NH+](CC3CCOCC3)CC2)n1 ZINC001162567798 772392496 /nfs/dbraw/zinc/39/24/96/772392496.db2.gz IQMDSYNVTNBYBV-UHFFFAOYSA-N 1 0 309.370 0.877 20 5 DCBDRO CCOC1(OCC)CC[NH2+]C[C@@H]1Nc1cnc([N+](=O)[O-])cn1 ZINC001162732220 772413098 /nfs/dbraw/zinc/41/30/98/772413098.db2.gz CZWXRTHTUNMWGO-JTQLQIEISA-N 1 0 311.342 0.928 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@H]2C[NH2+]C[C@@H]21 ZINC001162789682 772418626 /nfs/dbraw/zinc/41/86/26/772418626.db2.gz KBVMYLBTXRMZAA-KPXOXKRLSA-N 1 0 304.306 0.962 20 5 DCBDRO COC(=O)[C@@H](Nc1nc(C)c([N+](=O)[O-])c(OC)n1)C(C)(C)[NH3+] ZINC001162943117 772434154 /nfs/dbraw/zinc/43/41/54/772434154.db2.gz YIDUZBDRMPPATI-MRVPVSSYSA-N 1 0 313.314 0.393 20 5 DCBDRO COc1nc(N[C@@H]2COCCC23C[NH2+]C3)nc(C)c1[N+](=O)[O-] ZINC001163067978 772453296 /nfs/dbraw/zinc/45/32/96/772453296.db2.gz FGECDQMAYVAYBT-SECBINFHSA-N 1 0 309.326 0.492 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)N1 ZINC001163240151 772488111 /nfs/dbraw/zinc/48/81/11/772488111.db2.gz XKHOWNNVQHBVAS-WFASDCNBSA-N 1 0 317.349 0.859 20 5 DCBDRO CN(C)c1ccc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254240 772493726 /nfs/dbraw/zinc/49/37/26/772493726.db2.gz QDZCDISGHIPESA-JSGCOSHPSA-N 1 0 305.338 0.651 20 5 DCBDRO COc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc([N+](=O)[O-])c1C ZINC001163254937 772494032 /nfs/dbraw/zinc/49/40/32/772494032.db2.gz VQFYEYILWRXAOI-OCCSQVGLSA-N 1 0 306.322 0.902 20 5 DCBDRO Cc1c[n+]([O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163308405 772504149 /nfs/dbraw/zinc/50/41/49/772504149.db2.gz DFJOJFUVEASNON-SMDDNHRTSA-N 1 0 308.338 0.860 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1c(C)nnc1C[NH3+] ZINC001163348636 772511159 /nfs/dbraw/zinc/51/11/59/772511159.db2.gz KZJFFSJMLQLPQA-UHFFFAOYSA-N 1 0 306.282 0.514 20 5 DCBDRO Cc1cc(C[NH3+])nn1-c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001163988602 772601802 /nfs/dbraw/zinc/60/18/02/772601802.db2.gz PJLWNIKJYAYOJW-UHFFFAOYSA-N 1 0 310.335 0.951 20 5 DCBDRO C[C@]1(CO)CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001164140264 772615848 /nfs/dbraw/zinc/61/58/48/772615848.db2.gz YBFDLBHBCKEEBP-AWEZNQCLSA-N 1 0 322.369 0.003 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCOCC12C[NH2+]C2 ZINC001165288355 772718352 /nfs/dbraw/zinc/71/83/52/772718352.db2.gz HVYMYIGEEXCLOM-UHFFFAOYSA-N 1 0 322.321 0.345 20 5 DCBDRO Cc1nc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165347144 772726620 /nfs/dbraw/zinc/72/66/20/772726620.db2.gz YGKPSVDQHODSIH-AWEZNQCLSA-N 1 0 323.353 0.279 20 5 DCBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncc([N+](=O)[O-])c(C)n1 ZINC001165408217 772734164 /nfs/dbraw/zinc/73/41/64/772734164.db2.gz OFSAHCZCDQTUMQ-JBLDHEPKSA-N 1 0 321.337 0.423 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001165437267 772737132 /nfs/dbraw/zinc/73/71/32/772737132.db2.gz QIHBWGLSVWDFAT-VIFPVBQESA-N 1 0 300.702 0.594 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001165440257 772738154 /nfs/dbraw/zinc/73/81/54/772738154.db2.gz YOONSEVTNJOJON-VIFPVBQESA-N 1 0 310.310 0.258 20 5 DCBDRO C[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]C[C@H]1O ZINC001204856333 772965951 /nfs/dbraw/zinc/96/59/51/772965951.db2.gz FXJUEGQZSCDAGT-PELKAZGASA-N 1 0 309.257 0.401 20 5 DCBDRO COC(=O)c1ccc(O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001227012415 775910984 /nfs/dbraw/zinc/91/09/84/775910984.db2.gz POSODGNLPKBJPO-LLVKDONJSA-O 1 0 312.342 0.541 20 5 DCBDRO COC(=O)Cc1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001229753841 776222582 /nfs/dbraw/zinc/22/25/82/776222582.db2.gz CGIHHYJUCIEKLL-CYBMUJFWSA-N 1 0 310.370 0.765 20 5 DCBDRO CCNC(=O)CC(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001266680767 939207103 /nfs/dbraw/zinc/20/71/03/939207103.db2.gz KVYPIZXGPBWTBB-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cc1nnc[nH]1 ZINC001267454612 939460188 /nfs/dbraw/zinc/46/01/88/939460188.db2.gz FTSBJNGHMAGCEM-UHFFFAOYSA-N 1 0 318.337 0.504 20 5 DCBDRO COCCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001319019656 945482803 /nfs/dbraw/zinc/48/28/03/945482803.db2.gz ZMJMLLOBGQHJFU-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]CC[C@@H]2O)n1 ZINC001247757320 945574010 /nfs/dbraw/zinc/57/40/10/945574010.db2.gz OCGNHGVZXDZWQX-APPZFPTMSA-N 1 0 309.257 0.617 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC001248351483 945597926 /nfs/dbraw/zinc/59/79/26/945597926.db2.gz CJAZKNMTZISASX-MRVPVSSYSA-N 1 0 309.257 0.710 20 5 DCBDRO COC1CC[NH+](CCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001253922012 946205680 /nfs/dbraw/zinc/20/56/80/946205680.db2.gz BUOOMTFCFIRPSY-UHFFFAOYSA-N 1 0 311.342 0.169 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCN(CCO)CCO)C2 ZINC001254571709 946409555 /nfs/dbraw/zinc/40/95/55/946409555.db2.gz AQUHSECGLXVZGE-HNNXBMFYSA-N 1 0 323.393 0.328 20 5 DCBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cc[nH]n1 ZINC001273274096 946412902 /nfs/dbraw/zinc/41/29/02/946412902.db2.gz IKYGJYURVRULOA-UHFFFAOYSA-N 1 0 321.341 0.303 20 5 DCBDRO Cc1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001322506220 946703332 /nfs/dbraw/zinc/70/33/32/946703332.db2.gz YXNWSSROCFMTTJ-VXGBXAGGSA-N 1 0 310.354 0.895 20 5 DCBDRO C[NH+](C)C[C@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001324265058 947370902 /nfs/dbraw/zinc/37/09/02/947370902.db2.gz BAJBBKAUNYYHJJ-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO C[C@@H]([NH3+])CONC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001263141414 947812611 /nfs/dbraw/zinc/81/26/11/947812611.db2.gz WWLUQNFEKVIZIG-SNVBAGLBSA-N 1 0 324.337 0.440 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001328221358 948752582 /nfs/dbraw/zinc/75/25/82/948752582.db2.gz QEMYFPOMFWHALR-SNVBAGLBSA-N 1 0 318.337 0.903 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328769175 949083292 /nfs/dbraw/zinc/08/32/92/949083292.db2.gz DEIXXUYRBHJKDC-JTQLQIEISA-N 1 0 320.349 0.551 20 5 DCBDRO Nc1nccc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001329041089 949308057 /nfs/dbraw/zinc/30/80/57/949308057.db2.gz XKJJEKODOZQEBV-JTQLQIEISA-N 1 0 305.338 0.882 20 5 DCBDRO Cc1cc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])on1 ZINC001280814541 951105127 /nfs/dbraw/zinc/10/51/27/951105127.db2.gz PGTDZCQBVBEOLZ-CHWSQXEVSA-N 1 0 310.354 0.929 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CC[NH2+]CCC23CCOCC3)c1[N+](=O)[O-] ZINC001338407990 953008213 /nfs/dbraw/zinc/00/82/13/953008213.db2.gz XMPBRWQHQPWMBA-UHFFFAOYSA-N 1 0 323.353 0.611 20 5 DCBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001344846663 953543682 /nfs/dbraw/zinc/54/36/82/953543682.db2.gz OIPUKANJIXDWAD-OUAUKWLOSA-N 1 0 308.338 0.354 20 5 DCBDRO Cc1[nH]nc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1[N+](=O)[O-] ZINC001346046407 953793405 /nfs/dbraw/zinc/79/34/05/953793405.db2.gz IRSYRPPBLSPSFL-UHFFFAOYSA-N 1 0 319.325 1.000 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001347428913 954092408 /nfs/dbraw/zinc/09/24/08/954092408.db2.gz MQRMMCOIYJOMRX-OAHLLOKOSA-N 1 0 322.365 0.775 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)n1 ZINC001449804763 1014689468 /nfs/dbraw/zinc/68/94/68/1014689468.db2.gz WLPPPAXNFNZLLS-LBPRGKRZSA-N 1 0 322.365 0.875 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001525941825 1015180564 /nfs/dbraw/zinc/18/05/64/1015180564.db2.gz HCCSWLCXYVYDEF-YOGCLGLASA-N 1 0 307.354 0.841 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](O)CC23CCC3)c1 ZINC001473566994 1016946990 /nfs/dbraw/zinc/94/69/90/1016946990.db2.gz GXXADUFHMAOWAH-QWHCGFSZSA-N 1 0 310.354 0.532 20 5 DCBDRO Cc1nnc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH]1 ZINC001473556079 1016948431 /nfs/dbraw/zinc/94/84/31/1016948431.db2.gz JSJJDAXQFWRWQO-NSHDSACASA-N 1 0 318.337 0.673 20 5 DCBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001455640061 1009879163 /nfs/dbraw/zinc/87/91/63/1009879163.db2.gz MHZUHTNAJAPOJS-SNVBAGLBSA-N 1 0 307.354 0.986 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001443715188 1010606538 /nfs/dbraw/zinc/60/65/38/1010606538.db2.gz CKQYEYNFPLSCBO-UHFFFAOYSA-N 1 0 310.354 0.948 20 5 DCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001557101917 1012260598 /nfs/dbraw/zinc/26/05/98/1012260598.db2.gz DBHRKQMUFZBMSK-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO NC(=O)c1ccnc(N[C@H]2CCC[N@H+](CCCO)C2)c1[N+](=O)[O-] ZINC001559193490 1012406798 /nfs/dbraw/zinc/40/67/98/1012406798.db2.gz FNMRBZIXDQDSRZ-JTQLQIEISA-N 1 0 323.353 0.347 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001559909551 1012434361 /nfs/dbraw/zinc/43/43/61/1012434361.db2.gz IVXNAIUUCHSPDG-CHWSQXEVSA-N 1 0 323.349 0.571 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC001560060759 1012439094 /nfs/dbraw/zinc/43/90/94/1012439094.db2.gz USGIWIPRNZAUFV-ZIAGYGMSSA-N 1 0 321.337 0.084 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001521286173 1017344465 /nfs/dbraw/zinc/34/44/65/1017344465.db2.gz FCOBAZZBSOKSBS-WFASDCNBSA-N 1 0 318.377 0.642 20 5 DCBDRO C[NH2+]CCN(C)C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001521511757 1017389366 /nfs/dbraw/zinc/38/93/66/1017389366.db2.gz CIDLTWWSFSXXMP-ZDUSSCGKSA-N 1 0 306.322 0.766 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC2(C[NH2+]C2)CC1 ZINC001521901095 1017418100 /nfs/dbraw/zinc/41/81/00/1017418100.db2.gz YBFCKFOHORHARU-UHFFFAOYSA-N 1 0 307.354 0.702 20 5 DCBDRO CN(CCC[NH2+]Cc1nnc(C2CC2)[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001498545953 1019214098 /nfs/dbraw/zinc/21/40/98/1019214098.db2.gz NFHULEZHVYLINC-GHMZBOCLSA-N 1 0 322.369 0.285 20 5 DCBDRO CC(C)[N@@H+](CC(N)=O)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181519456 199309742 /nfs/dbraw/zinc/30/97/42/199309742.db2.gz HWQNAXLHSRIXKR-LLVKDONJSA-N 1 0 311.338 0.530 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000317055826 530070611 /nfs/dbraw/zinc/07/06/11/530070611.db2.gz UODVFRSDKARCEQ-JTQLQIEISA-N 1 0 307.354 0.153 20 5 DCBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331295267 232984744 /nfs/dbraw/zinc/98/47/44/232984744.db2.gz SJNHHSNFBGFALP-XWUBHJNHSA-N 1 0 312.370 0.634 20 5 DCBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000071144367 190936837 /nfs/dbraw/zinc/93/68/37/190936837.db2.gz VIUCOEYBEIGCRP-GFCCVEGCSA-N 1 0 313.379 0.966 20 5 DCBDRO CN(C)C(=O)CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000182176186 199398258 /nfs/dbraw/zinc/39/82/58/199398258.db2.gz VFVIYEHVUNQVBJ-UHFFFAOYSA-N 1 0 309.370 0.982 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566250716 291289010 /nfs/dbraw/zinc/28/90/10/291289010.db2.gz CYXQWQDYEWYMKQ-NEPJUHHUSA-N 1 0 307.354 0.639 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000566508251 291310207 /nfs/dbraw/zinc/31/02/07/291310207.db2.gz QYSHJOPQGLZIKG-ONGXEEELSA-N 1 0 306.322 0.250 20 5 DCBDRO C[C@H]1CN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC[NH2+]1 ZINC000420332158 240021208 /nfs/dbraw/zinc/02/12/08/240021208.db2.gz GENUTFRCWMJXKN-VIFPVBQESA-N 1 0 322.321 0.556 20 5 DCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000421704300 240096298 /nfs/dbraw/zinc/09/62/98/240096298.db2.gz OEXRKTJLGUNSOY-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(C)C ZINC000567872806 291386399 /nfs/dbraw/zinc/38/63/99/291386399.db2.gz HOIXSIIRZBNSQI-RWMBFGLXSA-N 1 0 300.359 0.537 20 5 DCBDRO [NH3+]C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC000568089282 291402838 /nfs/dbraw/zinc/40/28/38/291402838.db2.gz PVUZRACBFBVEEF-UHFFFAOYSA-N 1 0 308.338 0.534 20 5 DCBDRO C[C@H](O)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569096930 291461427 /nfs/dbraw/zinc/46/14/27/291461427.db2.gz VPOPAPPKCLCEKU-UWVGGRQHSA-N 1 0 302.352 0.727 20 5 DCBDRO CN(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000571396427 291511746 /nfs/dbraw/zinc/51/17/46/291511746.db2.gz CCDOBGIYSITSQE-HNNXBMFYSA-N 1 0 319.365 0.878 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265050981 204365330 /nfs/dbraw/zinc/36/53/30/204365330.db2.gz PSSUUFOVWFRWCF-NSHDSACASA-N 1 0 318.355 0.018 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000274767909 211913924 /nfs/dbraw/zinc/91/39/24/211913924.db2.gz JDJQBGPDKRNRPM-AWEZNQCLSA-N 1 0 322.365 0.973 20 5 DCBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000288488222 220174079 /nfs/dbraw/zinc/17/40/79/220174079.db2.gz CRTZRMUPNHAGLR-LLVKDONJSA-N 1 0 307.306 0.764 20 5 DCBDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000562995981 288614315 /nfs/dbraw/zinc/61/43/15/288614315.db2.gz NDOUSCDXDIHYQH-YPMHNXCESA-N 1 0 309.322 0.155 20 5 DCBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000339385211 253076775 /nfs/dbraw/zinc/07/67/75/253076775.db2.gz NKFXJIPSDLQUPQ-AAEUAGOBSA-N 1 0 309.370 0.623 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339760780 253140102 /nfs/dbraw/zinc/14/01/02/253140102.db2.gz YGAVGRSCHHEJCR-OCCSQVGLSA-N 1 0 310.354 0.738 20 5 DCBDRO Cn1c(C(=O)N2CCC([N@H+](C)CCCO)CC2)ccc1[N+](=O)[O-] ZINC000340310567 253235135 /nfs/dbraw/zinc/23/51/35/253235135.db2.gz ZNIBMJWGIOMBIM-UHFFFAOYSA-N 1 0 324.381 0.852 20 5 DCBDRO C[NH+](C)C1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000272891087 210280781 /nfs/dbraw/zinc/28/07/81/210280781.db2.gz WWUYPBZZNNEUAA-CQSZACIVSA-N 1 0 318.333 0.860 20 5 DCBDRO COC(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000346691007 254084016 /nfs/dbraw/zinc/08/40/16/254084016.db2.gz VJEBNONXMMGZNV-PWSUYJOCSA-N 1 0 309.322 0.640 20 5 DCBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)c1 ZINC000350750818 254325634 /nfs/dbraw/zinc/32/56/34/254325634.db2.gz ZBQYSZOLQVUWLS-LBPRGKRZSA-N 1 0 300.336 0.498 20 5 DCBDRO C[C@H](CO)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000351522201 254342555 /nfs/dbraw/zinc/34/25/55/254342555.db2.gz JFIPEOXAWTVVGY-BXUZGUMPSA-N 1 0 312.370 0.778 20 5 DCBDRO COc1ccc(C[NH2+]CCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000289545124 221055221 /nfs/dbraw/zinc/05/52/21/221055221.db2.gz JXNJAGBTDBDCMM-UHFFFAOYSA-N 1 0 317.367 0.584 20 5 DCBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000285382472 131163788 /nfs/dbraw/zinc/16/37/88/131163788.db2.gz CTYCEQKCDYKFGA-SNVBAGLBSA-N 1 0 323.353 0.549 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000285425329 131167654 /nfs/dbraw/zinc/16/76/54/131167654.db2.gz GZIIJLSVAWBWCC-UHFFFAOYSA-N 1 0 323.353 0.502 20 5 DCBDRO C[C@@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@@H](C)O1 ZINC000285451941 131169705 /nfs/dbraw/zinc/16/97/05/131169705.db2.gz MSIYEXUFVUBAEO-NXEZZACHSA-N 1 0 311.342 0.547 20 5 DCBDRO CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)[C@@H]1COC[C@H]1O ZINC000285659898 131190518 /nfs/dbraw/zinc/19/05/18/131190518.db2.gz SVFQURWNVHRRJO-ZIAGYGMSSA-N 1 0 321.333 0.175 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([NH3+])CC1 ZINC000036753731 395724501 /nfs/dbraw/zinc/72/45/01/395724501.db2.gz SVDYYBYEZWWTAJ-UHFFFAOYSA-N 1 0 315.351 0.715 20 5 DCBDRO COc1ccc(NC(=O)CN2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])c1 ZINC000096525851 395754296 /nfs/dbraw/zinc/75/42/96/395754296.db2.gz NWWDGUAIVOAFMW-SNVBAGLBSA-N 1 0 308.338 0.836 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000046946371 395783216 /nfs/dbraw/zinc/78/32/16/395783216.db2.gz XVBCUBREQKLLTD-LLVKDONJSA-N 1 0 310.354 0.944 20 5 DCBDRO CCCC[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000112309564 395815843 /nfs/dbraw/zinc/81/58/43/395815843.db2.gz YNBHEYZPJPUSRH-UHFFFAOYSA-N 1 0 310.354 0.605 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1COCCN1 ZINC000235757506 395893064 /nfs/dbraw/zinc/89/30/64/395893064.db2.gz KAGRKBKQQIHNER-SNVBAGLBSA-N 1 0 315.351 0.170 20 5 DCBDRO C[NH+]1CCC(C)(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000272574705 395900646 /nfs/dbraw/zinc/90/06/46/395900646.db2.gz WTAFWSIWYYCZEP-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000125950751 395908508 /nfs/dbraw/zinc/90/85/08/395908508.db2.gz GKVJUMKOCXVHQQ-LLVKDONJSA-N 1 0 301.306 0.872 20 5 DCBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000128532909 395918253 /nfs/dbraw/zinc/91/82/53/395918253.db2.gz LPUDRIUAWZXLDG-NSHDSACASA-N 1 0 324.385 0.813 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2CCSCC2)c1 ZINC000229257531 395873821 /nfs/dbraw/zinc/87/38/21/395873821.db2.gz QZVMPGZPIRLHNV-LBPRGKRZSA-N 1 0 300.384 0.885 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261617429 396049388 /nfs/dbraw/zinc/04/93/88/396049388.db2.gz AYWARJCSTJXZJK-UWVGGRQHSA-N 1 0 308.338 0.437 20 5 DCBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000157436811 396063723 /nfs/dbraw/zinc/06/37/23/396063723.db2.gz CNLQXQNBSCSHNE-FZMZJTMJSA-N 1 0 307.350 0.973 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C(N)=O)CC1 ZINC000152441552 396009722 /nfs/dbraw/zinc/00/97/22/396009722.db2.gz QYXHRCMKIZDBNH-UHFFFAOYSA-N 1 0 306.322 0.839 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000262053871 396094532 /nfs/dbraw/zinc/09/45/32/396094532.db2.gz VEIUNQJFGJDGBT-BXKDBHETSA-N 1 0 309.370 0.994 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC([NH3+])CC1 ZINC000262096013 396098863 /nfs/dbraw/zinc/09/88/63/396098863.db2.gz IKOVEKYMWAYNFL-UHFFFAOYSA-N 1 0 308.338 0.965 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])c1[nH]nc2c1C[NH2+]CC2 ZINC000262461372 396142905 /nfs/dbraw/zinc/14/29/05/396142905.db2.gz XPMPRTLQDQHQND-UHFFFAOYSA-N 1 0 315.333 0.936 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278652655 396137117 /nfs/dbraw/zinc/13/71/17/396137117.db2.gz HKWWZCXPDXUJEW-CHWSQXEVSA-N 1 0 309.322 0.269 20 5 DCBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261941461 396081504 /nfs/dbraw/zinc/08/15/04/396081504.db2.gz UTZBJCBRGOLXDR-CYBMUJFWSA-N 1 0 322.340 0.854 20 5 DCBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000263254428 396209311 /nfs/dbraw/zinc/20/93/11/396209311.db2.gz QJSAIFYTTIVBBC-GXSJLCMTSA-N 1 0 317.292 0.866 20 5 DCBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262566933 396156263 /nfs/dbraw/zinc/15/62/63/396156263.db2.gz YDXDFKWGKYTFBD-UONOGXRCSA-N 1 0 307.350 0.757 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[N@@H+]1C1CC1 ZINC000177188876 396169442 /nfs/dbraw/zinc/16/94/42/396169442.db2.gz SBTOMTORYABSDP-MNOVXSKESA-N 1 0 320.349 0.498 20 5 DCBDRO COCC[N@@H+](Cc1ccco1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075624643 396183557 /nfs/dbraw/zinc/18/35/57/396183557.db2.gz MBJUUFZOVALQQX-ZDUSSCGKSA-N 1 0 324.337 0.894 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264401602 396276521 /nfs/dbraw/zinc/27/65/21/396276521.db2.gz MJWAEBQPGTYNIA-LLVKDONJSA-N 1 0 321.381 0.742 20 5 DCBDRO Nc1nc(N2CC[NH+](CC3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000265496805 396321819 /nfs/dbraw/zinc/32/18/19/396321819.db2.gz LSVRPBVJVVWVFX-UHFFFAOYSA-N 1 0 322.369 0.516 20 5 DCBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C[C@@H](C)O ZINC000286105721 396375202 /nfs/dbraw/zinc/37/52/02/396375202.db2.gz NJYQTQYHYNANNT-NXEZZACHSA-N 1 0 311.342 0.235 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000286051791 396371429 /nfs/dbraw/zinc/37/14/29/396371429.db2.gz LIYPJZOUJRAGSE-GPCCPHFNSA-N 1 0 309.370 0.993 20 5 DCBDRO C[NH+](C)CCn1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n1 ZINC000188322629 396381240 /nfs/dbraw/zinc/38/12/40/396381240.db2.gz NZKGJPKVZBALLU-UHFFFAOYSA-N 1 0 320.309 0.706 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269124426 396387543 /nfs/dbraw/zinc/38/75/43/396387543.db2.gz LJFPUOVAWLISQI-LBPRGKRZSA-N 1 0 320.349 0.535 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CCC[NH2+]CC1 ZINC000269135008 396388758 /nfs/dbraw/zinc/38/87/58/396388758.db2.gz QBDYQCXXNOXNLM-UHFFFAOYSA-N 1 0 320.349 0.537 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C2CCC2)CC1 ZINC000269152037 396389763 /nfs/dbraw/zinc/38/97/63/396389763.db2.gz OWVCNIWBBBANBJ-UHFFFAOYSA-N 1 0 322.369 0.671 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000269265257 396401844 /nfs/dbraw/zinc/40/18/44/396401844.db2.gz KKNXQACKLRFBSZ-JOYOIKCWSA-N 1 0 309.370 0.994 20 5 DCBDRO NC(=O)C[C@H](N)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269665187 396434434 /nfs/dbraw/zinc/43/44/34/396434434.db2.gz XMTSYOAJQJDVBK-LBPRGKRZSA-N 1 0 308.338 0.236 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000287993391 396435949 /nfs/dbraw/zinc/43/59/49/396435949.db2.gz AZVIERRQHVTKCD-VIFPVBQESA-N 1 0 308.338 0.908 20 5 DCBDRO COC(=O)NCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000496364636 396482225 /nfs/dbraw/zinc/48/22/25/396482225.db2.gz IAOYLXBQRYZHJP-SNVBAGLBSA-N 1 0 313.310 0.280 20 5 DCBDRO C[C@@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171753 396491484 /nfs/dbraw/zinc/49/14/84/396491484.db2.gz VMVAHZOCEDOEHA-BXUZGUMPSA-N 1 0 321.381 0.940 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000581240272 396536849 /nfs/dbraw/zinc/53/68/49/396536849.db2.gz GWMIXNXUCPIPMR-CYBMUJFWSA-N 1 0 324.337 0.343 20 5 DCBDRO C[C@H](O)[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581245982 396536915 /nfs/dbraw/zinc/53/69/15/396536915.db2.gz COEFEOPJUDULLG-UWVGGRQHSA-N 1 0 317.367 0.232 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000581364886 396548013 /nfs/dbraw/zinc/54/80/13/396548013.db2.gz PURDOXOEOUUGBX-WDEREUQCSA-N 1 0 308.338 0.390 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)nc1 ZINC000595107858 396549452 /nfs/dbraw/zinc/54/94/52/396549452.db2.gz GQMDFFKNGVVBQM-KOLCDFICSA-N 1 0 312.351 0.362 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595223847 396566078 /nfs/dbraw/zinc/56/60/78/396566078.db2.gz BVKGNEDHHXBAAW-RYUDHWBXSA-N 1 0 322.369 0.567 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C2CC2)O1 ZINC000373430557 396590920 /nfs/dbraw/zinc/59/09/20/396590920.db2.gz HHTVNTPLAFSZFA-LERXQTSPSA-N 1 0 310.354 0.652 20 5 DCBDRO NC(=O)[C@]1([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCOC1 ZINC000582428279 396610103 /nfs/dbraw/zinc/61/01/03/396610103.db2.gz GUQOKOYYYPVKCG-AWEZNQCLSA-N 1 0 322.321 0.157 20 5 DCBDRO CC[N@@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000595535961 396626854 /nfs/dbraw/zinc/62/68/54/396626854.db2.gz KOYVWXNRLVAFNE-GXTWGEPZSA-N 1 0 311.386 0.568 20 5 DCBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000595565290 396632578 /nfs/dbraw/zinc/63/25/78/396632578.db2.gz DWDATPHVIFDGSH-NSHDSACASA-N 1 0 324.385 0.963 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCn1ccc([N+](=O)[O-])n1 ZINC000374422345 396663548 /nfs/dbraw/zinc/66/35/48/396663548.db2.gz RIVLXNHMWFWYAS-MGPQQGTHSA-N 1 0 323.397 0.975 20 5 DCBDRO O=C1CCCN1C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595830170 396668256 /nfs/dbraw/zinc/66/82/56/396668256.db2.gz CUAXIUCFJCFMOD-LBPRGKRZSA-N 1 0 307.354 0.736 20 5 DCBDRO CC[C@@H]([NH2+]C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595914457 396681756 /nfs/dbraw/zinc/68/17/56/396681756.db2.gz AJSXOBZHJXCJFJ-GFCCVEGCSA-N 1 0 307.354 0.636 20 5 DCBDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000588977087 396702251 /nfs/dbraw/zinc/70/22/51/396702251.db2.gz AMIAMVIYFROSMS-SECBINFHSA-N 1 0 306.322 0.391 20 5 DCBDRO C[NH+](C)C[C@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000589101356 396704278 /nfs/dbraw/zinc/70/42/78/396704278.db2.gz ALJYESXXNIGRBN-SNVBAGLBSA-N 1 0 308.338 0.814 20 5 DCBDRO C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000299230581 396711443 /nfs/dbraw/zinc/71/14/43/396711443.db2.gz DJBSTWCUTSPNRZ-JTQLQIEISA-N 1 0 308.338 0.391 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000610925370 396784281 /nfs/dbraw/zinc/78/42/81/396784281.db2.gz AQWJNTPQOOAZTN-LBPRGKRZSA-N 1 0 322.365 0.916 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000304288085 396728707 /nfs/dbraw/zinc/72/87/07/396728707.db2.gz BGKHRQANEWNLJY-DZGCQCFKSA-N 1 0 323.397 0.712 20 5 DCBDRO NC(=O)c1cc(N[C@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596234654 396740731 /nfs/dbraw/zinc/74/07/31/396740731.db2.gz WECOPTUEVATOSX-LBPRGKRZSA-N 1 0 322.365 0.952 20 5 DCBDRO C[C@@H](CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+](C)C ZINC000596428070 396771271 /nfs/dbraw/zinc/77/12/71/396771271.db2.gz DLXMKPSLVDHLEI-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@H](CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[NH+](C)C ZINC000596429314 396773394 /nfs/dbraw/zinc/77/33/94/396773394.db2.gz HFRJAAJOOQPIQG-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+](C)C ZINC000596430959 396773498 /nfs/dbraw/zinc/77/34/98/396773498.db2.gz MHCGERNFTCVYCM-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000611236502 396841694 /nfs/dbraw/zinc/84/16/94/396841694.db2.gz JVKUBXAIEFFZCT-LLVKDONJSA-N 1 0 307.354 0.886 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1CNC[C@H]1C[NH2+]CCO1)OCCO2 ZINC000591284791 396894184 /nfs/dbraw/zinc/89/41/84/396894184.db2.gz KOSNNFCWOYEDMT-LLVKDONJSA-N 1 0 309.322 0.444 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000591374408 396911515 /nfs/dbraw/zinc/91/15/15/396911515.db2.gz CKCMRHPZCXVSTN-LLVKDONJSA-N 1 0 306.322 0.079 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000591374409 396911833 /nfs/dbraw/zinc/91/18/33/396911833.db2.gz CKCMRHPZCXVSTN-NSHDSACASA-N 1 0 306.322 0.079 20 5 DCBDRO COCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000571538151 396962887 /nfs/dbraw/zinc/96/28/87/396962887.db2.gz PKPVUULAJREDGL-SNVBAGLBSA-N 1 0 319.745 0.349 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571940081 397004663 /nfs/dbraw/zinc/00/46/63/397004663.db2.gz RLDMUEFEXFICDS-AAEUAGOBSA-N 1 0 318.333 0.287 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](N3CCOCC3)C2)n1 ZINC000571698606 396979437 /nfs/dbraw/zinc/97/94/37/396979437.db2.gz UDCSMDPSJGOEMP-ZDUSSCGKSA-N 1 0 309.370 0.588 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000597652974 397044927 /nfs/dbraw/zinc/04/49/27/397044927.db2.gz GVRHZPLORYOPJE-SECBINFHSA-N 1 0 306.322 0.728 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592434836 397177973 /nfs/dbraw/zinc/17/79/73/397177973.db2.gz OLHLXGJBCRNEOT-ZDUSSCGKSA-N 1 0 323.349 0.940 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000592381551 397163637 /nfs/dbraw/zinc/16/36/37/397163637.db2.gz UFUQPYIRGIWRKB-ZJUUUORDSA-N 1 0 312.351 0.362 20 5 DCBDRO CC[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592382040 397164191 /nfs/dbraw/zinc/16/41/91/397164191.db2.gz GHNYSVLCFHILLL-VHSXEESVSA-N 1 0 314.367 0.738 20 5 DCBDRO CS(=O)(=O)NC1CC([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000619748050 397188643 /nfs/dbraw/zinc/18/86/43/397188643.db2.gz ZFUQGSHOBRBPRC-UHFFFAOYSA-N 1 0 305.381 0.826 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000592488604 397190466 /nfs/dbraw/zinc/19/04/66/397190466.db2.gz UCJLLTXTZNESMO-GDNZZTSVSA-N 1 0 305.290 0.785 20 5 DCBDRO C[NH+](C)C1(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000598638280 397265685 /nfs/dbraw/zinc/26/56/85/397265685.db2.gz DLLYFHOVPXFXNS-UHFFFAOYSA-N 1 0 322.369 0.728 20 5 DCBDRO [NH3+][C@@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598664884 397271368 /nfs/dbraw/zinc/27/13/68/397271368.db2.gz JSIZDPIALCQVQS-LBPRGKRZSA-N 1 0 321.337 0.570 20 5 DCBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000598743605 397288291 /nfs/dbraw/zinc/28/82/91/397288291.db2.gz SWCSNQUMOKBNRW-UHFFFAOYSA-N 1 0 324.385 0.464 20 5 DCBDRO C[C@](C[NH3+])(NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598914539 397307738 /nfs/dbraw/zinc/30/77/38/397307738.db2.gz HBFITYOWILTBNU-CQSZACIVSA-N 1 0 306.322 0.777 20 5 DCBDRO O=c1onc(-c2cccc([N+](=O)[O-])c2)n1CCN1CC[NH2+]CC1 ZINC000577846736 397366104 /nfs/dbraw/zinc/36/61/04/397366104.db2.gz WSEMEMSFACTOFV-UHFFFAOYSA-N 1 0 319.321 0.317 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000578453813 397438377 /nfs/dbraw/zinc/43/83/77/397438377.db2.gz GUNDLTKVJWMVGV-VXGBXAGGSA-N 1 0 322.296 0.118 20 5 DCBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000602493602 397419897 /nfs/dbraw/zinc/41/98/97/397419897.db2.gz XVSQBBBXSILJLA-LLVKDONJSA-N 1 0 322.340 0.854 20 5 DCBDRO CC(C)[C@@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000488023608 397483919 /nfs/dbraw/zinc/48/39/19/397483919.db2.gz IWAMTZHVTMPGRM-KGLIPLIRSA-N 1 0 311.386 0.424 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000578988290 397510008 /nfs/dbraw/zinc/51/00/08/397510008.db2.gz JQKXPBLOCZQRMN-SECBINFHSA-N 1 0 324.362 0.821 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594204686 397513081 /nfs/dbraw/zinc/51/30/81/397513081.db2.gz WRAPIXARHQSROI-QWHCGFSZSA-N 1 0 307.354 0.924 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599899800 397537597 /nfs/dbraw/zinc/53/75/97/397537597.db2.gz JRWSDDVMANENSH-UHFFFAOYSA-N 1 0 324.337 0.275 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000599906051 397538238 /nfs/dbraw/zinc/53/82/38/397538238.db2.gz XDDYXKSIBZPLAH-SECBINFHSA-N 1 0 308.294 0.020 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000579236349 397540341 /nfs/dbraw/zinc/54/03/41/397540341.db2.gz LOSPZNRDYYEGOC-LLVKDONJSA-N 1 0 309.322 0.793 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)CC2)C1 ZINC000609665199 397788401 /nfs/dbraw/zinc/78/84/01/397788401.db2.gz CGZILEGTEANUSL-LBPRGKRZSA-N 1 0 321.381 0.775 20 5 DCBDRO CCOC(=O)c1ccnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c1[N+](=O)[O-] ZINC000609961413 397799073 /nfs/dbraw/zinc/79/90/73/397799073.db2.gz KPKVKMAQSXDWCQ-NXEZZACHSA-N 1 0 306.322 0.822 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000068217445 158041698 /nfs/dbraw/zinc/04/16/98/158041698.db2.gz SUHXNENAYGWDSW-NSHDSACASA-N 1 0 309.370 0.948 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000090525215 158103788 /nfs/dbraw/zinc/10/37/88/158103788.db2.gz HLIZTLUUZYDELQ-ZDUSSCGKSA-N 1 0 306.366 0.927 20 5 DCBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000113196650 158145031 /nfs/dbraw/zinc/14/50/31/158145031.db2.gz NYPPLFXNQDABOH-LLVKDONJSA-N 1 0 310.358 0.567 20 5 DCBDRO CCOC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000233729299 158629544 /nfs/dbraw/zinc/62/95/44/158629544.db2.gz IGIVZINMXKYJJV-CHWSQXEVSA-N 1 0 300.359 0.803 20 5 DCBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262557540 158824848 /nfs/dbraw/zinc/82/48/48/158824848.db2.gz UODRPFOOPHPJHB-CQSZACIVSA-N 1 0 304.350 0.715 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000318793688 159007374 /nfs/dbraw/zinc/00/73/74/159007374.db2.gz ZQTRCWHHAFDUPE-VHSXEESVSA-N 1 0 305.338 0.929 20 5 DCBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[N@@H+]1C ZINC000330597114 159199822 /nfs/dbraw/zinc/19/98/22/159199822.db2.gz SGERXETZAYAAHR-MNOVXSKESA-N 1 0 308.338 0.308 20 5 DCBDRO NC(=O)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000367987634 159369160 /nfs/dbraw/zinc/36/91/60/159369160.db2.gz GLOTVNBQOJOCRQ-VXGBXAGGSA-N 1 0 323.349 0.532 20 5 DCBDRO CCOc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000368414378 159392972 /nfs/dbraw/zinc/39/29/72/159392972.db2.gz UKWYBQIXFOQAJE-LLVKDONJSA-N 1 0 309.322 0.793 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000408054603 160024252 /nfs/dbraw/zinc/02/42/52/160024252.db2.gz SWKFCNUJDNSPNT-MNOVXSKESA-N 1 0 307.354 0.885 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000151272314 287032752 /nfs/dbraw/zinc/03/27/52/287032752.db2.gz NWRFZPLGERCUNA-NSHDSACASA-N 1 0 322.369 0.575 20 5 DCBDRO C[C@@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193401569 287060810 /nfs/dbraw/zinc/06/08/10/287060810.db2.gz YGQRTZSCSIURGI-HTQZYQBOSA-N 1 0 305.381 0.933 20 5 DCBDRO C[NH+](C)CCn1nccc1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000294112516 287139177 /nfs/dbraw/zinc/13/91/77/287139177.db2.gz PDQATJRKUKPZHV-UHFFFAOYSA-N 1 0 320.309 0.706 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301810659 287141688 /nfs/dbraw/zinc/14/16/88/287141688.db2.gz GSBBVXLCNDVPJB-LBPRGKRZSA-N 1 0 319.365 0.908 20 5 DCBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000416498971 287238117 /nfs/dbraw/zinc/23/81/17/287238117.db2.gz ZLPUDHXQMLKSFO-LLVKDONJSA-N 1 0 313.379 0.966 20 5 DCBDRO C[C@]1(F)C[NH2+]CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000420337541 287291546 /nfs/dbraw/zinc/29/15/46/287291546.db2.gz RAQBNWGUBLXYGX-AWEZNQCLSA-N 1 0 310.329 0.827 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000268189731 415171355 /nfs/dbraw/zinc/17/13/55/415171355.db2.gz MVNJQPPWAJUJEL-GZMMTYOYSA-N 1 0 307.354 0.849 20 5 DCBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164722 415275506 /nfs/dbraw/zinc/27/55/06/415275506.db2.gz WPCJYGVEHOGCHY-UMVBOHGHSA-N 1 0 323.397 0.711 20 5 DCBDRO C[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000273052231 415303618 /nfs/dbraw/zinc/30/36/18/415303618.db2.gz XLEULOHQLKNJJM-LLVKDONJSA-N 1 0 307.354 0.948 20 5 DCBDRO O=C(NCC[N@@H+]1CCCOCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275931437 415394823 /nfs/dbraw/zinc/39/48/23/415394823.db2.gz WEZUVAVFCSLOIF-UHFFFAOYSA-N 1 0 310.310 0.148 20 5 DCBDRO C[C@]1(CCCO)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352884922 415360253 /nfs/dbraw/zinc/36/02/53/415360253.db2.gz BQRXUOPYJPBAMQ-UONOGXRCSA-N 1 0 312.370 0.779 20 5 DCBDRO CCn1cc(S(=O)(=O)N(C)C2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000353253423 415485376 /nfs/dbraw/zinc/48/53/76/415485376.db2.gz PYBDMCHHAQMVBE-UHFFFAOYSA-N 1 0 317.371 0.184 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000353216270 415480304 /nfs/dbraw/zinc/48/03/04/415480304.db2.gz KHHPTLHBVIKIQF-DTWKUNHWSA-N 1 0 317.371 0.169 20 5 DCBDRO CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000353485808 415563804 /nfs/dbraw/zinc/56/38/04/415563804.db2.gz DNZFRQINOOVVLP-GFCCVEGCSA-N 1 0 300.359 0.635 20 5 DCBDRO CO[C@H]1COC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000290031044 415751282 /nfs/dbraw/zinc/75/12/82/415751282.db2.gz BUVCWVQFJUCCNX-SUNKGSAMSA-N 1 0 312.322 0.338 20 5 DCBDRO COC[C@@]1(C(=O)OC)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296505041 415929404 /nfs/dbraw/zinc/92/94/04/415929404.db2.gz ZLRBIMFNODQPNE-CYBMUJFWSA-N 1 0 312.326 0.303 20 5 DCBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2c([N+](=O)[O-])ncn2C)CC1 ZINC000344413461 415909666 /nfs/dbraw/zinc/90/96/66/415909666.db2.gz YVAYMMMLLRWADJ-UHFFFAOYSA-N 1 0 324.385 0.683 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000152879921 415971149 /nfs/dbraw/zinc/97/11/49/415971149.db2.gz NZQJGSPMBYSMKF-CQSZACIVSA-N 1 0 311.338 0.646 20 5 DCBDRO COc1cc(C[NH2+]CCc2ncn(C)n2)c([N+](=O)[O-])cc1O ZINC000344921578 416008616 /nfs/dbraw/zinc/00/86/16/416008616.db2.gz QVTFDAKTCFTMBB-UHFFFAOYSA-N 1 0 307.310 0.770 20 5 DCBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000357857927 416142974 /nfs/dbraw/zinc/14/29/74/416142974.db2.gz FGQJLEOBVBHOGW-NSHDSACASA-N 1 0 312.374 0.819 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000179379273 416186956 /nfs/dbraw/zinc/18/69/56/416186956.db2.gz UQVAAGNCUCTRSS-UHFFFAOYSA-N 1 0 317.367 0.418 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000358159786 416204199 /nfs/dbraw/zinc/20/41/99/416204199.db2.gz ZJPBNDFPJPULAL-LLVKDONJSA-N 1 0 308.338 0.501 20 5 DCBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330668788 416227213 /nfs/dbraw/zinc/22/72/13/416227213.db2.gz ZFDMRAQPUQZDNC-TUAOUCFPSA-N 1 0 324.385 0.669 20 5 DCBDRO C[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192187103 416302044 /nfs/dbraw/zinc/30/20/44/416302044.db2.gz XPLYIQFYZIYRBJ-JQWIXIFHSA-N 1 0 300.384 0.980 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415420225 416343069 /nfs/dbraw/zinc/34/30/69/416343069.db2.gz WEFHRQOOZLVXSE-QMMMGPOBSA-N 1 0 310.285 0.493 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415567047 416347984 /nfs/dbraw/zinc/34/79/84/416347984.db2.gz PXWDZANDZWPFMK-UWVGGRQHSA-N 1 0 306.322 0.742 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H](O)C[NH3+] ZINC000415651905 416350533 /nfs/dbraw/zinc/35/05/33/416350533.db2.gz GXZLRCXIPZTWJR-JTQLQIEISA-N 1 0 312.326 0.777 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)[C@@]1(CO)CCOC1 ZINC000359582742 416351502 /nfs/dbraw/zinc/35/15/02/416351502.db2.gz ZNBYKEUKSLBVDV-OAHLLOKOSA-N 1 0 323.349 0.925 20 5 DCBDRO Cc1c(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cccc1[N+](=O)[O-] ZINC000415794385 416354402 /nfs/dbraw/zinc/35/44/02/416354402.db2.gz WHRXEQPJHXGPOF-UHFFFAOYSA-N 1 0 306.322 0.790 20 5 DCBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000236833785 416328200 /nfs/dbraw/zinc/32/82/00/416328200.db2.gz QAFOBKYPWLNMMM-GFCCVEGCSA-N 1 0 310.354 0.588 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000360833865 416413321 /nfs/dbraw/zinc/41/33/21/416413321.db2.gz YSZJQJIIVZXXEM-HNNXBMFYSA-N 1 0 318.377 0.643 20 5 DCBDRO C[C@H]1CC[N@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000533038595 416469594 /nfs/dbraw/zinc/46/95/94/416469594.db2.gz UUDSIJWXUKMETG-NSHDSACASA-N 1 0 308.338 0.215 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000423669361 416537291 /nfs/dbraw/zinc/53/72/91/416537291.db2.gz LVASGIDFYHLPDI-GFCCVEGCSA-N 1 0 320.349 0.503 20 5 DCBDRO CNc1nccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000594344905 416560693 /nfs/dbraw/zinc/56/06/93/416560693.db2.gz IYPMPPYIQSXTGI-GFCCVEGCSA-N 1 0 321.381 1.444 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000424037292 416606477 /nfs/dbraw/zinc/60/64/77/416606477.db2.gz WATFNBQZOGBZGH-UHFFFAOYSA-N 1 0 322.365 0.783 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C1 ZINC000368706539 416685028 /nfs/dbraw/zinc/68/50/28/416685028.db2.gz GDVKCBKLSIJCBB-LBPRGKRZSA-N 1 0 306.370 0.601 20 5 DCBDRO CCN1CCCC[C@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856252 416680643 /nfs/dbraw/zinc/68/06/43/416680643.db2.gz BIKGIROGAKUUKN-GXTWGEPZSA-N 1 0 311.386 0.616 20 5 DCBDRO CCOC(=O)CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441507166 416673616 /nfs/dbraw/zinc/67/36/16/416673616.db2.gz UKZSOPUJSJBNSF-NSHDSACASA-N 1 0 300.315 0.037 20 5 DCBDRO O=C(CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166775 416762991 /nfs/dbraw/zinc/76/29/91/416762991.db2.gz VNSDCNWQQURGIR-FZMZJTMJSA-N 1 0 323.349 0.599 20 5 DCBDRO C[NH2+]C[C@](C)(O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381886 416802652 /nfs/dbraw/zinc/80/26/52/416802652.db2.gz PBPVYCYBCDCLDA-FZMZJTMJSA-N 1 0 309.370 0.446 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000518167988 416839244 /nfs/dbraw/zinc/83/92/44/416839244.db2.gz XEQWTMUJWSIFHL-NWDGAFQWSA-N 1 0 307.354 0.700 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000565363313 416971415 /nfs/dbraw/zinc/97/14/15/416971415.db2.gz DFMXLWDALAARTJ-VXGBXAGGSA-N 1 0 300.336 0.481 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000447241488 416971849 /nfs/dbraw/zinc/97/18/49/416971849.db2.gz AOXKDRXHJYKKNF-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000447242923 416972506 /nfs/dbraw/zinc/97/25/06/416972506.db2.gz HNOPEFNSKORUHO-RKDXNWHRSA-N 1 0 317.371 0.169 20 5 DCBDRO CC(C)[N@H+](C)CC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000521231745 416998562 /nfs/dbraw/zinc/99/85/62/416998562.db2.gz QWKYRVPQIDIWAO-UHFFFAOYSA-N 1 0 324.385 0.765 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]([NH3+])C1 ZINC000430615642 417050410 /nfs/dbraw/zinc/05/04/10/417050410.db2.gz CUDHNHSPHUBMFB-SNVBAGLBSA-N 1 0 308.338 0.965 20 5 DCBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000522901682 417069601 /nfs/dbraw/zinc/06/96/01/417069601.db2.gz RQBIJYVQBYYYMT-LBPRGKRZSA-N 1 0 322.365 0.603 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000449703120 417168267 /nfs/dbraw/zinc/16/82/67/417168267.db2.gz FCQIYLYECYLISJ-ZDUSSCGKSA-N 1 0 309.322 0.468 20 5 DCBDRO CS(=O)(=O)C[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000433077674 417225696 /nfs/dbraw/zinc/22/56/96/417225696.db2.gz SMAZEPNVHLUNEM-NSHDSACASA-N 1 0 316.383 0.548 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000414655745 417291831 /nfs/dbraw/zinc/29/18/31/417291831.db2.gz LVTAQAJFLMHHPK-NSHDSACASA-N 1 0 323.353 0.629 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415300674 417359870 /nfs/dbraw/zinc/35/98/70/417359870.db2.gz AIDZXBGYWAVKMK-NSHDSACASA-N 1 0 306.322 0.710 20 5 DCBDRO CC(C)c1n[nH]c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000570232177 417326791 /nfs/dbraw/zinc/32/67/91/417326791.db2.gz AGRBXSIYJGXFFV-IUCAKERBSA-N 1 0 311.342 0.188 20 5 DCBDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000451753882 417391691 /nfs/dbraw/zinc/39/16/91/417391691.db2.gz CESMYAALPPVPRW-CHWSQXEVSA-N 1 0 309.322 0.615 20 5 DCBDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C[C@H]1O ZINC000451758485 417393862 /nfs/dbraw/zinc/39/38/62/417393862.db2.gz LACPCCBMEYFEEK-ZIAGYGMSSA-N 1 0 323.349 0.923 20 5 DCBDRO CCOc1cc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451638012 417368159 /nfs/dbraw/zinc/36/81/59/417368159.db2.gz YGHUJUWPOKMXNG-PHIMTYICSA-N 1 0 319.317 0.698 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451628094 417369538 /nfs/dbraw/zinc/36/95/38/417369538.db2.gz OZZPKZRCBQZPMD-INWMFGNUSA-N 1 0 321.377 0.970 20 5 DCBDRO CC[C@H](O)C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439173520 287382587 /nfs/dbraw/zinc/38/25/87/287382587.db2.gz YIKBUQHLKPCEKI-NSHDSACASA-N 1 0 322.365 0.587 20 5 DCBDRO Cn1c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000452353243 417469921 /nfs/dbraw/zinc/46/99/21/417469921.db2.gz UCXUCLKISWCSEQ-LLVKDONJSA-N 1 0 310.354 0.510 20 5 DCBDRO CCn1nc(C)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000573358440 417470281 /nfs/dbraw/zinc/47/02/81/417470281.db2.gz OQWMSWNEWNBYRS-ZDUSSCGKSA-N 1 0 322.369 0.775 20 5 DCBDRO Cc1noc(C)c1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576220481 417589677 /nfs/dbraw/zinc/58/96/77/417589677.db2.gz RYPAKGNUCWDPCG-LBPRGKRZSA-N 1 0 309.326 0.589 20 5 DCBDRO NS(=O)(=O)c1ccc(NCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000022815020 261104222 /nfs/dbraw/zinc/10/42/22/261104222.db2.gz FMAYQJAIPULFIC-UHFFFAOYSA-N 1 0 314.367 0.750 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417235718 262248257 /nfs/dbraw/zinc/24/82/57/262248257.db2.gz SAOLNNGFJNVXRY-CQSZACIVSA-N 1 0 321.381 0.340 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417763090 262261299 /nfs/dbraw/zinc/26/12/99/262261299.db2.gz JVGMIPYBDPTQEH-CYBMUJFWSA-N 1 0 321.381 0.340 20 5 DCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417918051 262265400 /nfs/dbraw/zinc/26/54/00/262265400.db2.gz WSLGPBPYUIGAKX-ZYHUDNBSSA-N 1 0 310.358 0.608 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418870473 262294259 /nfs/dbraw/zinc/29/42/59/262294259.db2.gz PKGLJOUQBJJVOY-ZDUSSCGKSA-N 1 0 320.349 0.203 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418869134 262294372 /nfs/dbraw/zinc/29/43/72/262294372.db2.gz OIXVAPBRWWEIFI-LLVKDONJSA-N 1 0 322.365 0.368 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419133662 262312683 /nfs/dbraw/zinc/31/26/83/262312683.db2.gz GGLNLVWJCXEZGV-NXEZZACHSA-N 1 0 308.338 0.578 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419157781 262314534 /nfs/dbraw/zinc/31/45/34/262314534.db2.gz WQRJHCUMWWXERM-JQWIXIFHSA-N 1 0 322.365 0.872 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419991861 262356272 /nfs/dbraw/zinc/35/62/72/262356272.db2.gz BOLYKWUFIMXECT-SNVBAGLBSA-N 1 0 320.349 0.549 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1 ZINC000429304075 262599726 /nfs/dbraw/zinc/59/97/26/262599726.db2.gz XNYLPXUYODJMMR-DGCLKSJQSA-N 1 0 318.333 0.615 20 5 DCBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000361007664 271170010 /nfs/dbraw/zinc/17/00/10/271170010.db2.gz AZEWAYKTTRWWBF-JTQLQIEISA-N 1 0 312.322 0.959 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000419270357 271282040 /nfs/dbraw/zinc/28/20/40/271282040.db2.gz NHLWREZKFHTCFI-MNOVXSKESA-N 1 0 322.365 0.934 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419945489 271347961 /nfs/dbraw/zinc/34/79/61/271347961.db2.gz SMRNJIIPVZBLHP-SNVBAGLBSA-N 1 0 320.349 0.191 20 5 DCBDRO NC(=O)NC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488760770 272050049 /nfs/dbraw/zinc/05/00/49/272050049.db2.gz FGIFHGOQOVUYAO-UHFFFAOYSA-N 1 0 310.314 0.013 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491799797 272105559 /nfs/dbraw/zinc/10/55/59/272105559.db2.gz WMXSVSDAJHMCGQ-WBTMPAOCSA-N 1 0 318.377 0.970 20 5 DCBDRO CCOc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OC ZINC000495175756 272240318 /nfs/dbraw/zinc/24/03/18/272240318.db2.gz QHQJYPMQOLIMMU-MSRIBSCDSA-N 1 0 321.333 0.950 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000126409430 274604387 /nfs/dbraw/zinc/60/43/87/274604387.db2.gz HXKYKXWBMXFMIX-VIFPVBQESA-N 1 0 316.317 0.870 20 5 DCBDRO CN1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679706 277184222 /nfs/dbraw/zinc/18/42/22/277184222.db2.gz VXAHFHONRWYMJX-IPYPFGDCSA-N 1 0 323.397 0.931 20 5 DCBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000122778288 277301139 /nfs/dbraw/zinc/30/11/39/277301139.db2.gz CXVGGMAFEITXKI-QMMMGPOBSA-N 1 0 303.315 0.716 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000545885469 288004074 /nfs/dbraw/zinc/00/40/74/288004074.db2.gz WLYMKZHVWOIRHJ-CQSZACIVSA-N 1 0 308.338 0.461 20 5 DCBDRO CN(CC[N@H+](C)C1CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000547441054 288046362 /nfs/dbraw/zinc/04/63/62/288046362.db2.gz ZCNHHXHDHUAOSP-UHFFFAOYSA-N 1 0 314.367 0.705 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339760779 279384813 /nfs/dbraw/zinc/38/48/13/279384813.db2.gz YGAVGRSCHHEJCR-JSGCOSHPSA-N 1 0 310.354 0.738 20 5 DCBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000552309583 288272188 /nfs/dbraw/zinc/27/21/88/288272188.db2.gz OPXJGXNDMASINX-JTQLQIEISA-N 1 0 308.338 0.391 20 5 DCBDRO O=C1NCC[C@H]1CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000563358164 288662631 /nfs/dbraw/zinc/66/26/31/288662631.db2.gz WGESKPBIZPJBMF-LBPRGKRZSA-N 1 0 319.365 0.638 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1ccncn1 ZINC000565358883 288846211 /nfs/dbraw/zinc/84/62/11/288846211.db2.gz KRAHNDWDNUKLQS-LBPRGKRZSA-N 1 0 304.306 0.914 20 5 DCBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151729634 289379819 /nfs/dbraw/zinc/37/98/19/289379819.db2.gz JCOVGFUONUGTEK-RYUDHWBXSA-N 1 0 324.385 0.963 20 5 DCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000261773728 295260349 /nfs/dbraw/zinc/26/03/49/295260349.db2.gz WHHKRJXFTNILAL-MRVPVSSYSA-N 1 0 319.314 0.082 20 5 DCBDRO C[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000570308769 332737925 /nfs/dbraw/zinc/73/79/25/332737925.db2.gz CKEONLUCIDYENV-UWVGGRQHSA-N 1 0 314.367 0.595 20 5 DCBDRO [NH3+]C[C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000577268199 341901189 /nfs/dbraw/zinc/90/11/89/341901189.db2.gz YZCGNTCTTZFSRB-SECBINFHSA-N 1 0 324.312 0.870 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000415341793 534320059 /nfs/dbraw/zinc/32/00/59/534320059.db2.gz HYAXUCUYEOAWAS-SNVBAGLBSA-N 1 0 320.349 0.970 20 5 DCBDRO C[NH2+]CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000151242428 522006276 /nfs/dbraw/zinc/00/62/76/522006276.db2.gz NTTVDIPPHQGUKM-UHFFFAOYSA-N 1 0 322.321 0.619 20 5 DCBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000157645121 522090503 /nfs/dbraw/zinc/09/05/03/522090503.db2.gz VFPVUTVJSALFGV-SECBINFHSA-N 1 0 317.342 0.964 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000269140791 522393512 /nfs/dbraw/zinc/39/35/12/522393512.db2.gz VSWKXYARAYJMLO-SNVBAGLBSA-N 1 0 316.321 0.609 20 5 DCBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161552621 523112851 /nfs/dbraw/zinc/11/28/51/523112851.db2.gz ISRRSJPDJQWRLH-LBPRGKRZSA-N 1 0 324.385 0.775 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156109404 525031719 /nfs/dbraw/zinc/03/17/19/525031719.db2.gz HCIDJROZIYWMQA-SECBINFHSA-N 1 0 315.351 0.715 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000237811404 526315547 /nfs/dbraw/zinc/31/55/47/526315547.db2.gz KSFBEIRTRSUPBY-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000269068676 526467419 /nfs/dbraw/zinc/46/74/19/526467419.db2.gz YFMSUKLPXZNBIG-CHWSQXEVSA-N 1 0 322.369 0.717 20 5 DCBDRO NC(=O)[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000130626461 527001710 /nfs/dbraw/zinc/00/17/10/527001710.db2.gz UIPMYHUWLYXKLQ-NWDGAFQWSA-N 1 0 308.338 0.390 20 5 DCBDRO [NH3+]C1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC000159713597 527131609 /nfs/dbraw/zinc/13/16/09/527131609.db2.gz RTYOYFKBHULYCT-UHFFFAOYSA-N 1 0 308.338 0.534 20 5 DCBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000157644014 527239459 /nfs/dbraw/zinc/23/94/59/527239459.db2.gz OLUDIAGEAJGJRC-MRVPVSSYSA-N 1 0 303.315 0.703 20 5 DCBDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000299619036 527800855 /nfs/dbraw/zinc/80/08/55/527800855.db2.gz KYLFTZBQVMVMTF-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000422746971 535426714 /nfs/dbraw/zinc/42/67/14/535426714.db2.gz XUEDZMDTOPRYIM-UHFFFAOYSA-N 1 0 322.365 0.629 20 5 DCBDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000068980709 665457224 /nfs/dbraw/zinc/45/72/24/665457224.db2.gz SECCTRXBSJPQTQ-UHFFFAOYSA-N 1 0 301.368 0.932 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000158647124 658536322 /nfs/dbraw/zinc/53/63/22/658536322.db2.gz NAKFWKGXXSENEO-WCQYABFASA-N 1 0 314.363 0.795 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCc3ccns3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025777824 659554239 /nfs/dbraw/zinc/55/42/39/659554239.db2.gz OZDGFPWVYSEYTD-LBELIVKGSA-N 1 0 322.390 0.397 20 5 DCBDRO CCc1nocc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775483 659556783 /nfs/dbraw/zinc/55/67/83/659556783.db2.gz CWNLZLGRVPTKDE-BLUODKFWSA-N 1 0 320.349 0.449 20 5 DCBDRO Cc1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001020140099 659671777 /nfs/dbraw/zinc/67/17/77/659671777.db2.gz YMJXSDNSPRMISG-DDHJBXDOSA-N 1 0 308.338 0.693 20 5 DCBDRO Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000940107023 665701378 /nfs/dbraw/zinc/70/13/78/665701378.db2.gz CXJDHWGMQFYZMU-GHMZBOCLSA-N 1 0 323.353 0.514 20 5 DCBDRO O=C(NC1(C2CC[NH+](CCCO)CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000148047 665758212 /nfs/dbraw/zinc/75/82/12/665758212.db2.gz BNYVRPCUZIBIGN-CHWSQXEVSA-N 1 0 311.382 0.395 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000841162194 661665037 /nfs/dbraw/zinc/66/50/37/661665037.db2.gz XYVXAAJMQSIKPQ-MRVPVSSYSA-N 1 0 324.312 0.801 20 5 DCBDRO Cc1noc(C)c1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983649632 661997099 /nfs/dbraw/zinc/99/70/99/661997099.db2.gz PSECBKNIRMYSRW-HKUMRIAESA-N 1 0 322.365 0.941 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1C[N@H+](C)CCN1C ZINC000896575909 662294483 /nfs/dbraw/zinc/29/44/83/662294483.db2.gz DBWCXKGYBAPGSH-CMPLNLGQSA-N 1 0 309.370 0.297 20 5 DCBDRO O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1CC[N+](=O)[O-] ZINC000899887522 663197729 /nfs/dbraw/zinc/19/77/29/663197729.db2.gz URULFVZFXYTMOK-BETUJISGSA-N 1 0 303.318 0.380 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000901217970 663331204 /nfs/dbraw/zinc/33/12/04/663331204.db2.gz JLWMULDUNAAYPK-MLGOLLRUSA-N 1 0 319.361 0.935 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@]1(O)CCOC1 ZINC000905904685 663588208 /nfs/dbraw/zinc/58/82/08/663588208.db2.gz MQEDJEIKMATAJS-UKRRQHHQSA-N 1 0 310.350 0.929 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(CC3CCOCC3)C2)c1 ZINC000905974602 663592625 /nfs/dbraw/zinc/59/26/25/663592625.db2.gz VVZNIMOLQLLJJJ-OAHLLOKOSA-N 1 0 324.381 0.901 20 5 DCBDRO CN1CC[N@H+](C)CC(C(=O)NCc2ccccc2[N+](=O)[O-])C1 ZINC000906240116 663605130 /nfs/dbraw/zinc/60/51/30/663605130.db2.gz LBEUDCZZXMINIW-UHFFFAOYSA-N 1 0 306.366 0.704 20 5 DCBDRO CN1CC[N@H+](C)CC(C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000906817448 663643404 /nfs/dbraw/zinc/64/34/04/663643404.db2.gz OQHDGWIRMAVRBK-UHFFFAOYSA-N 1 0 320.393 0.747 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000911694380 664100845 /nfs/dbraw/zinc/10/08/45/664100845.db2.gz WCQQUDDOWWSSAC-GJZGRUSLSA-N 1 0 318.377 0.720 20 5 DCBDRO CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000911879029 664118692 /nfs/dbraw/zinc/11/86/92/664118692.db2.gz KJBBNLHROZIIRB-QLFBSQMISA-N 1 0 318.377 0.800 20 5 DCBDRO O=C(NC1CC[NH+](CCc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789870 666220041 /nfs/dbraw/zinc/22/00/41/666220041.db2.gz XPSJYCSARQYLEJ-CHWSQXEVSA-N 1 0 324.406 0.931 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946589099 666499982 /nfs/dbraw/zinc/49/99/82/666499982.db2.gz FYWADAJULVFNKF-XJFOESAGSA-N 1 0 311.382 0.204 20 5 DCBDRO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC000996429235 666791112 /nfs/dbraw/zinc/79/11/12/666791112.db2.gz NAWSKTXDFNRNOA-CHWSQXEVSA-N 1 0 308.338 0.729 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861540590 666940727 /nfs/dbraw/zinc/94/07/27/666940727.db2.gz WNNXBJPYCUGMTK-QMMMGPOBSA-N 1 0 310.310 0.348 20 5 DCBDRO Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001034643764 667089811 /nfs/dbraw/zinc/08/98/11/667089811.db2.gz RYLINXKAEQITGQ-HBJVGIJOSA-N 1 0 321.381 0.602 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863328941 667130919 /nfs/dbraw/zinc/13/09/19/667130919.db2.gz HJJIKZBJQNORKB-JHAQOBCDSA-N 1 0 305.334 0.791 20 5 DCBDRO CCOC(=O)C1=CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000863574945 667159430 /nfs/dbraw/zinc/15/94/30/667159430.db2.gz DKBJOIHYKNJZBV-AAEUAGOBSA-N 1 0 324.337 0.394 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000923353204 667514542 /nfs/dbraw/zinc/51/45/42/667514542.db2.gz IHUQRLQNDVYLMC-HOTGVXAUSA-N 1 0 320.393 0.608 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000923531605 667556089 /nfs/dbraw/zinc/55/60/89/667556089.db2.gz TXHXJBUCODVHHA-KBPBESRZSA-N 1 0 309.370 0.370 20 5 DCBDRO [NH3+]C[C@@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(F)(F)F ZINC000872152172 667869484 /nfs/dbraw/zinc/86/94/84/667869484.db2.gz ZZYROOPDXHONMK-RKDXNWHRSA-N 1 0 307.276 0.860 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cn1cc([N+](=O)[O-])cn1 ZINC000746643772 667884180 /nfs/dbraw/zinc/88/41/80/667884180.db2.gz KQZPVZGNRZAOQF-KWCYVHTRSA-N 1 0 309.370 0.932 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1nccc1[N+](=O)[O-] ZINC000746655163 667885269 /nfs/dbraw/zinc/88/52/69/667885269.db2.gz ZUFRXWUKFDPVRE-JHJVBQTASA-N 1 0 309.370 0.932 20 5 DCBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000839682995 668134218 /nfs/dbraw/zinc/13/42/18/668134218.db2.gz JMOQLTFDVOXMFK-REWJHTLYSA-N 1 0 313.398 0.905 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)s1 ZINC000923713559 668174569 /nfs/dbraw/zinc/17/45/69/668174569.db2.gz TYRNJDPTRHNDCY-DTWKUNHWSA-N 1 0 317.392 0.886 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CN4CCC[C@@H]4CO3)C2)c1 ZINC000877022229 668553573 /nfs/dbraw/zinc/55/35/73/668553573.db2.gz QUPGREFVADXGBH-CTBQFLBTSA-N 1 0 321.381 0.948 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CC1)COCCO2 ZINC000880544664 669230334 /nfs/dbraw/zinc/23/03/34/669230334.db2.gz NPWBKMCWDCWALC-UHFFFAOYSA-N 1 0 323.349 0.638 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C(C)(C)C ZINC000880614052 669248749 /nfs/dbraw/zinc/24/87/49/669248749.db2.gz PTTLMGVMJYXFHT-LBPRGKRZSA-N 1 0 309.370 0.980 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000791255702 669599680 /nfs/dbraw/zinc/59/96/80/669599680.db2.gz VBHBNJAWOGCPJC-OAHLLOKOSA-N 1 0 322.365 0.706 20 5 DCBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000798267704 669995345 /nfs/dbraw/zinc/99/53/45/669995345.db2.gz KXDHVGDETJNJKU-LLVKDONJSA-N 1 0 324.381 1.000 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000716729161 670270685 /nfs/dbraw/zinc/27/06/85/670270685.db2.gz AGIAIIHKLURCHF-MRVPVSSYSA-N 1 0 301.730 0.901 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000808160480 670393684 /nfs/dbraw/zinc/39/36/84/670393684.db2.gz VONZQLCEHSGYAY-RYUDHWBXSA-N 1 0 320.349 0.458 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000808174243 670395486 /nfs/dbraw/zinc/39/54/86/670395486.db2.gz FDZJJEGULBUEFK-SNVBAGLBSA-N 1 0 310.354 0.313 20 5 DCBDRO Cn1nccc1CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819232629 671103903 /nfs/dbraw/zinc/10/39/03/671103903.db2.gz IOCHVMAURWBGER-ZDUSSCGKSA-N 1 0 320.349 0.900 20 5 DCBDRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000859558938 671125904 /nfs/dbraw/zinc/12/59/04/671125904.db2.gz OBUZUJCZFJMLCQ-DZGCQCFKSA-N 1 0 324.333 0.892 20 5 DCBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852414146 671127198 /nfs/dbraw/zinc/12/71/98/671127198.db2.gz JGBGEGHDYRRJLN-RWMBFGLXSA-N 1 0 310.306 0.548 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000821776743 671292031 /nfs/dbraw/zinc/29/20/31/671292031.db2.gz KNGHTZPFDLRROI-YOGCLGLASA-N 1 0 307.354 0.841 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000834532891 671770030 /nfs/dbraw/zinc/77/00/30/671770030.db2.gz FEQQMPGBKQBOBC-LBPRGKRZSA-N 1 0 319.321 0.131 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000834563245 671771002 /nfs/dbraw/zinc/77/10/02/671771002.db2.gz BNYOFZIUDFXJJE-AWEZNQCLSA-N 1 0 323.353 0.101 20 5 DCBDRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841184734 671918719 /nfs/dbraw/zinc/91/87/19/671918719.db2.gz ZTRSWAIYRQKQJY-UHFFFAOYSA-N 1 0 314.729 0.994 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000843064081 672057783 /nfs/dbraw/zinc/05/77/83/672057783.db2.gz DUTMCEIXLMVAAC-SMDDNHRTSA-N 1 0 324.312 0.615 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCN2CCC(O)CC2)c1 ZINC000843076137 672059379 /nfs/dbraw/zinc/05/93/79/672059379.db2.gz QJCPLBGAFUCANR-OAHLLOKOSA-N 1 0 309.366 0.675 20 5 DCBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843102353 672061905 /nfs/dbraw/zinc/06/19/05/672061905.db2.gz WRCWJKYSMUMLMZ-WXHSDQCUSA-N 1 0 324.337 0.847 20 5 DCBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCN1CCO ZINC000843105851 672062559 /nfs/dbraw/zinc/06/25/59/672062559.db2.gz XWEQCUAHUYKHNP-ZIAGYGMSSA-N 1 0 323.349 0.201 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H](CO)CN2CCCC2)cc1 ZINC000843114107 672063245 /nfs/dbraw/zinc/06/32/45/672063245.db2.gz CZKJZYLXKNPIDF-UKRRQHHQSA-N 1 0 309.366 0.675 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139356 693709747 /nfs/dbraw/zinc/70/97/47/693709747.db2.gz YYDPHJRKMRICOJ-FDYHWXHSSA-N 1 0 308.313 0.623 20 5 DCBDRO Cc1nnsc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139622 693710652 /nfs/dbraw/zinc/71/06/52/693710652.db2.gz IGGDQUNOECXHQK-ZYUZMQFOSA-N 1 0 311.367 0.249 20 5 DCBDRO Cn1cc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)cn1 ZINC001072721568 694656741 /nfs/dbraw/zinc/65/67/41/694656741.db2.gz XZQJBYAKTVEHBS-CHWSQXEVSA-N 1 0 319.365 0.120 20 5 DCBDRO Cc1oncc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072726052 694657239 /nfs/dbraw/zinc/65/72/39/694657239.db2.gz ZLTLLSFHMZOFQP-CHWSQXEVSA-N 1 0 320.349 0.683 20 5 DCBDRO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001565584999 1159886855 /nfs/dbraw/zinc/88/68/55/1159886855.db2.gz SCFUNLSCMYLRBU-GFCCVEGCSA-N 1 0 306.322 0.862 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccns1 ZINC001567502297 1160398637 /nfs/dbraw/zinc/39/86/37/1160398637.db2.gz CSODRUKRDWWBQQ-UHFFFAOYSA-N 1 0 324.366 0.647 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)n1 ZINC001569435475 1161059418 /nfs/dbraw/zinc/05/94/18/1161059418.db2.gz JWVDKWVLTSSTPQ-LBPRGKRZSA-N 1 0 322.365 0.875 20 5 DCBDRO C[C@@]1(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC[NH2+]C1 ZINC001573622486 1163517248 /nfs/dbraw/zinc/51/72/48/1163517248.db2.gz OEFPEOHSCALYAT-CQSZACIVSA-N 1 0 316.321 0.657 20 5 DCBDRO Cc1ccc(OS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001574156842 1163649773 /nfs/dbraw/zinc/64/97/73/1163649773.db2.gz SLNZRCJXAIEULJ-JTQLQIEISA-N 1 0 316.335 0.600 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001578649827 1165079634 /nfs/dbraw/zinc/07/96/34/1165079634.db2.gz OZJNWPBUVWUXEY-ZDUSSCGKSA-N 1 0 320.349 0.588 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC001578649886 1165079660 /nfs/dbraw/zinc/07/96/60/1165079660.db2.gz PJNZJCRORACIAE-CQSZACIVSA-N 1 0 324.381 0.826 20 5 DCBDRO C[NH2+]CCOCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001578709814 1165089431 /nfs/dbraw/zinc/08/94/31/1165089431.db2.gz PPWQZGDVJZKFQW-UHFFFAOYSA-N 1 0 307.310 0.437 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH2+][C@@H](CCO)C2)c1 ZINC001578875129 1165146925 /nfs/dbraw/zinc/14/69/25/1165146925.db2.gz VOEARUUCRZPGHF-NSHDSACASA-N 1 0 309.322 0.542 20 5 DCBDRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001579121132 1165215824 /nfs/dbraw/zinc/21/58/24/1165215824.db2.gz RMPKWFXQWQYKDL-ZWKOPEQDSA-N 1 0 308.338 0.942 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCOCC1 ZINC001579241584 1165248657 /nfs/dbraw/zinc/24/86/57/1165248657.db2.gz CJMJBGRVYOXIND-UHFFFAOYSA-N 1 0 309.322 0.841 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC1(CCO)C[NH2+]C1 ZINC001580570324 1165641659 /nfs/dbraw/zinc/64/16/59/1165641659.db2.gz YNAXVBBIZLVMKV-UHFFFAOYSA-N 1 0 313.741 0.631 20 5 DCBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@H]2C[NH2+]CCO2)c(F)c1 ZINC001580875902 1165749320 /nfs/dbraw/zinc/74/93/20/1165749320.db2.gz ULIKTYVAHLTKEL-SECBINFHSA-N 1 0 320.298 0.431 20 5 DCBDRO C[C@@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001589876621 1166706103 /nfs/dbraw/zinc/70/61/03/1166706103.db2.gz HQJLVCIZVIQWNH-ZETCQYMHSA-N 1 0 306.330 0.719 20 5 DCBDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590322962 1166866019 /nfs/dbraw/zinc/86/60/19/1166866019.db2.gz DWOWTPXQZHAPJO-KCJUWKMLSA-N 1 0 304.310 0.899 20 5 DCBDRO CCC[C@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[NH2+]1 ZINC001590568273 1166943695 /nfs/dbraw/zinc/94/36/95/1166943695.db2.gz AVHZEAAHJYLSRH-VIFPVBQESA-N 1 0 318.341 0.748 20 5 DCBDRO COC[C@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001591370897 1167242815 /nfs/dbraw/zinc/24/28/15/1167242815.db2.gz WSRPTAMUWTXLOA-CYBMUJFWSA-N 1 0 321.341 0.859 20 5 DCBDRO COCC[N@H+](C)CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591420734 1167278462 /nfs/dbraw/zinc/27/84/62/1167278462.db2.gz NVJBZZVHUOEGPX-UHFFFAOYSA-N 1 0 322.329 0.160 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH2+][C@@H](CO)C1CC1 ZINC001593482207 1167869285 /nfs/dbraw/zinc/86/92/85/1167869285.db2.gz MXOUBLDRTMEIIF-NSHDSACASA-N 1 0 304.310 0.635 20 5 DCBDRO CCO[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C[NH+](C)C ZINC001595150211 1167969394 /nfs/dbraw/zinc/96/93/94/1167969394.db2.gz CGNPBVPVYFPUEY-SNVBAGLBSA-N 1 0 310.354 0.874 20 5 DCBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[NH+](C)C ZINC001603555480 1169320990 /nfs/dbraw/zinc/32/09/90/1169320990.db2.gz QRXNPOJTMAIRNB-SSDOTTSWSA-N 1 0 306.330 0.719 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC001609602346 1171038983 /nfs/dbraw/zinc/03/89/83/1171038983.db2.gz KBAZDXRDQLBEGY-LBPRGKRZSA-N 1 0 316.321 0.732 20 5 DCBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001620535863 1171403766 /nfs/dbraw/zinc/40/37/66/1171403766.db2.gz DEFXBRVVIYCTMO-JTQLQIEISA-N 1 0 304.310 0.976 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC001620647717 1171405650 /nfs/dbraw/zinc/40/56/50/1171405650.db2.gz BVOXYJSKCFZTAO-LLVKDONJSA-N 1 0 303.326 0.768 20 5 DCBDRO CC[N@@H+]1CC[C@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001636658122 1171746270 /nfs/dbraw/zinc/74/62/70/1171746270.db2.gz XRXDGAYKBOPQTI-LBPRGKRZSA-N 1 0 321.333 0.997 20 5 DCBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1Cl)CCOCCO ZINC001640320471 1171876366 /nfs/dbraw/zinc/87/63/66/1171876366.db2.gz NDFIMPSFQFHSBJ-UHFFFAOYSA-N 1 0 318.761 0.996 20 5 DCBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001641111170 1171906097 /nfs/dbraw/zinc/90/60/97/1171906097.db2.gz NECKHZBTEGWXRI-UHFFFAOYSA-N 1 0 311.342 0.283 20 5 DCBDRO COC[C@@]1(CO)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116880 1171966596 /nfs/dbraw/zinc/96/65/96/1171966596.db2.gz DNJTYWKWPPLDMC-CABCVRRESA-N 1 0 310.350 0.959 20 5 DCBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC001645128303 1172029918 /nfs/dbraw/zinc/02/99/18/1172029918.db2.gz FKVHJHWVHLFJDY-GFCCVEGCSA-N 1 0 309.370 0.982 20 5 DCBDRO C[NH+]1C[C@]2(C)CN(C(=O)c3cc([N+](=O)[O-])cnc3N)C[C@@]2(C)C1 ZINC001648020184 1173064829 /nfs/dbraw/zinc/06/48/29/1173064829.db2.gz XAODOVBDCKVUEY-HUUCEWRRSA-N 1 0 319.365 0.986 20 5 DCBDRO C[NH+]1C[C@]2(C)CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001651301470 1173745615 /nfs/dbraw/zinc/74/56/15/1173745615.db2.gz HNTOPHQAGQXNJC-HUUCEWRRSA-N 1 0 319.365 0.867 20 5 DCBDRO CO[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC001653654230 1173793104 /nfs/dbraw/zinc/79/31/04/1173793104.db2.gz VVOFGYJLIHEXRA-OLZOCXBDSA-N 1 0 312.370 0.899 20 5 DCBDRO CC1(C)CNC(=O)[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001654676946 1173808855 /nfs/dbraw/zinc/80/88/55/1173808855.db2.gz SLHMJNWNISXHAN-GXFFZTMASA-N 1 0 323.349 0.449 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC001654962150 1173813777 /nfs/dbraw/zinc/81/37/77/1173813777.db2.gz PEJHMFGTIVNCDY-LBPRGKRZSA-N 1 0 323.353 0.920 20 5 DCBDRO CNS(=O)(=O)CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001658404900 1173922566 /nfs/dbraw/zinc/92/25/66/1173922566.db2.gz RGXKWBVSHXQMNA-UHFFFAOYSA-N 1 0 301.368 0.932 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCCS3(=O)=O)C2)c1 ZINC001659218842 1173931501 /nfs/dbraw/zinc/93/15/01/1173931501.db2.gz FJWVRORJWMDIHD-RTYFJBAXSA-N 1 0 314.367 0.662 20 5 DCBDRO C[C@H](Cc1cccnc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001660577748 1174014201 /nfs/dbraw/zinc/01/42/01/1174014201.db2.gz PMJRJMSCJJESTB-BXUZGUMPSA-N 1 0 305.338 0.768 20 5 DCBDRO Cc1n[nH]cc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001663214648 1174276056 /nfs/dbraw/zinc/27/60/56/1174276056.db2.gz CRISDJICZCVQLA-ZIAGYGMSSA-N 1 0 306.322 0.810 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c1[N+](=O)[O-] ZINC001664483321 1174435902 /nfs/dbraw/zinc/43/59/02/1174435902.db2.gz HLXSWIJYTTWXNH-XPTSAGLGSA-N 1 0 312.322 0.939 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[NH+]1CCC(O)CC1 ZINC001676089023 1175419673 /nfs/dbraw/zinc/41/96/73/1175419673.db2.gz MACQRUWHEXKWNS-UHFFFAOYSA-N 1 0 323.353 0.298 20 5 DCBDRO C[C@@H](O)C[NH2+]CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000132320523 1177522917 /nfs/dbraw/zinc/52/29/17/1177522917.db2.gz CJGHXGSFWRXNEZ-SECBINFHSA-N 1 0 317.367 0.381 20 5 DCBDRO CC(C)=CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001700336773 1178586738 /nfs/dbraw/zinc/58/67/38/1178586738.db2.gz YIULDYARPZUIPT-CHWSQXEVSA-N 1 0 311.382 0.561 20 5 DCBDRO CC(C)N(CC[N@H+](C)CCn1cncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001700971108 1178852314 /nfs/dbraw/zinc/85/23/14/1178852314.db2.gz LYJZILMVBHPANK-CHWSQXEVSA-N 1 0 324.385 0.112 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)Cc1ccon1 ZINC001714693490 1181485855 /nfs/dbraw/zinc/48/58/55/1181485855.db2.gz ZIOFEJDRYYKHAC-UHFFFAOYSA-N 1 0 322.325 0.107 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1ncn(C)n1 ZINC001731908773 1185565810 /nfs/dbraw/zinc/56/58/10/1185565810.db2.gz BDANTNACOCMFHU-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cn(C)nn1 ZINC001731909170 1185565925 /nfs/dbraw/zinc/56/59/25/1185565925.db2.gz KHOHCAHVLRTSOG-UHFFFAOYSA-N 1 0 324.366 0.647 20 5 DCBDRO Cc1ncc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001733242385 1186198476 /nfs/dbraw/zinc/19/84/76/1186198476.db2.gz DOQAFDFSAGRTHA-VXGBXAGGSA-N 1 0 305.338 0.189 20 5 DCBDRO CCCCC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733913858 1186495445 /nfs/dbraw/zinc/49/54/45/1186495445.db2.gz ZLBRRALIWKIVFM-CHWSQXEVSA-N 1 0 313.398 0.785 20 5 DCBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnc(C)nc1 ZINC001753142840 1188514161 /nfs/dbraw/zinc/51/41/61/1188514161.db2.gz CCOWARMXBQKUBH-ZIAGYGMSSA-N 1 0 321.381 0.778 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC001164665047 719394194 /nfs/dbraw/zinc/39/41/94/719394194.db2.gz FKLBZXZUSYWPEQ-ZJUUUORDSA-N 1 0 309.326 0.221 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001164668720 719407952 /nfs/dbraw/zinc/40/79/52/719407952.db2.gz KBBVKCWAEKDOGP-VHSXEESVSA-N 1 0 314.729 0.401 20 5 DCBDRO Cn1nccc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124539381 751669168 /nfs/dbraw/zinc/66/91/68/751669168.db2.gz MFYOOKZTDJEDLP-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001167673361 747506104 /nfs/dbraw/zinc/50/61/04/747506104.db2.gz WOUQAYDJEJQRBO-UHFFFAOYSA-N 1 0 311.305 0.970 20 5 DCBDRO Cc1nnc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001126663735 749565608 /nfs/dbraw/zinc/56/56/08/749565608.db2.gz LLAJKESRBNLJCU-UHFFFAOYSA-N 1 0 319.321 0.735 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC(=[NH2+])N1CCN(C)CC1 ZINC001168737421 753997898 /nfs/dbraw/zinc/99/78/98/753997898.db2.gz VWWPUYHHGVAPGP-UHFFFAOYSA-N 1 0 321.337 0.975 20 5 DCBDRO Cc1ncoc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048813104 754955062 /nfs/dbraw/zinc/95/50/62/754955062.db2.gz AAXAUTOEHKXEPU-YVECIDJPSA-N 1 0 320.349 0.538 20 5 DCBDRO [NH3+]Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168959195 760532086 /nfs/dbraw/zinc/53/20/86/760532086.db2.gz UOEHTCPLBLRSLV-NWDGAFQWSA-N 1 0 313.379 0.869 20 5 DCBDRO CS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968463 760534513 /nfs/dbraw/zinc/53/45/13/760534513.db2.gz ZHHASLBAGAUHFB-JQWIXIFHSA-N 1 0 305.400 0.445 20 5 DCBDRO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168993614 760538875 /nfs/dbraw/zinc/53/88/75/760538875.db2.gz NSEBBZOLQBMZPA-QWHCGFSZSA-N 1 0 319.427 0.693 20 5 DCBDRO CN(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001169056299 760566245 /nfs/dbraw/zinc/56/62/45/760566245.db2.gz RJUOVUGGKUIIHH-BFHYXJOUSA-N 1 0 312.414 0.574 20 5 DCBDRO COC(=O)c1cc(C)nc(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001170040722 761658629 /nfs/dbraw/zinc/65/86/29/761658629.db2.gz AVHPRYBVQMRTTP-VIFPVBQESA-N 1 0 310.310 0.485 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCc1ccc2c[nH+]cn2c1 ZINC001129554002 762960064 /nfs/dbraw/zinc/96/00/64/762960064.db2.gz NDYHZYNKMQJIJU-UHFFFAOYSA-N 1 0 300.278 0.755 20 5 DCBDRO CC(C)Oc1nc(N2C[C@H]([NH3+])C3(COC3)C2)ccc1[N+](=O)[O-] ZINC001158766289 764810462 /nfs/dbraw/zinc/81/04/62/764810462.db2.gz XDPYXRHWAOIHEN-NSHDSACASA-N 1 0 308.338 0.941 20 5 DCBDRO Cn1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]c1=O ZINC001133332728 764928270 /nfs/dbraw/zinc/92/82/70/764928270.db2.gz VVXPQWPVDWKWOL-UHFFFAOYSA-N 1 0 319.321 0.554 20 5 DCBDRO O=C(Cc1c[nH]cn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001134406880 765507955 /nfs/dbraw/zinc/50/79/55/765507955.db2.gz GMYAWCZWOYIWDK-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO O=C(Cc1c[nH]cn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001134406995 765508298 /nfs/dbraw/zinc/50/82/98/765508298.db2.gz LSOUUCYZZFRYLG-UHFFFAOYSA-N 1 0 309.351 0.828 20 5 DCBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001159670104 766187687 /nfs/dbraw/zinc/18/76/87/766187687.db2.gz BSKODWJMOGNPFD-WHFBIAKZSA-N 1 0 308.125 0.684 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001136492170 766310193 /nfs/dbraw/zinc/31/01/93/766310193.db2.gz SPVSKSZFCZCVPX-AAEUAGOBSA-N 1 0 320.349 0.891 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001136668795 766421277 /nfs/dbraw/zinc/42/12/77/766421277.db2.gz CAJYIVKOQXGBAD-DOMZBBRYSA-N 1 0 323.349 0.545 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001136761606 766502719 /nfs/dbraw/zinc/50/27/19/766502719.db2.gz RDOONXLZTVKSRU-NSHDSACASA-N 1 0 307.354 0.153 20 5 DCBDRO C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@H]1C[N@H+](C)CCN1C ZINC001120873071 767283141 /nfs/dbraw/zinc/28/31/41/767283141.db2.gz CJMGSGXKCGVPLM-GHMZBOCLSA-N 1 0 319.369 0.684 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1NCCNC(=O)C[NH+]1CCCC1 ZINC001093652235 768671192 /nfs/dbraw/zinc/67/11/92/768671192.db2.gz KPVREYVOGIAMNG-UHFFFAOYSA-N 1 0 307.354 0.922 20 5 DCBDRO Cc1cnc(NCCNC(=O)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001093652655 768671814 /nfs/dbraw/zinc/67/18/14/768671814.db2.gz UPPDZJLSDBOJKO-UHFFFAOYSA-N 1 0 307.354 0.922 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N[C@@H]2COC[C@H]2[NH3+])c1F ZINC001173187824 769556878 /nfs/dbraw/zinc/55/68/78/769556878.db2.gz GZVXUHFSVRVWLD-FBIMIBRVSA-N 1 0 313.329 0.989 20 5 DCBDRO Cc1nonc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001153561446 769853162 /nfs/dbraw/zinc/85/31/62/769853162.db2.gz QZAMLJZKGHCIPB-UHFFFAOYSA-N 1 0 305.294 0.806 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902017 770242498 /nfs/dbraw/zinc/24/24/98/770242498.db2.gz FCKFFAYEWFCEKC-WDEREUQCSA-N 1 0 305.338 0.881 20 5 DCBDRO NC(=O)CCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001177387057 770432363 /nfs/dbraw/zinc/43/23/63/770432363.db2.gz YGIXHWCTQFLQCG-UHFFFAOYSA-N 1 0 322.365 0.846 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NCC[C@@H]2CCOC23C[NH2+]C3)n1 ZINC001155478702 770516921 /nfs/dbraw/zinc/51/69/21/770516921.db2.gz WCCSDUOXYVVBKX-SNVBAGLBSA-N 1 0 323.353 0.882 20 5 DCBDRO CN(c1ncnc2cccc([N+](=O)[O-])c21)S(=O)(=O)CC[NH3+] ZINC001156240675 770760780 /nfs/dbraw/zinc/76/07/80/770760780.db2.gz UKNMRECKYNXJBF-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO CS(=O)(=O)NC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001181135245 771237783 /nfs/dbraw/zinc/23/77/83/771237783.db2.gz SNTKANRYANRKPL-UHFFFAOYSA-N 1 0 313.379 0.807 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH3+])[C@@H]2C)n1 ZINC001157748237 771663003 /nfs/dbraw/zinc/66/30/03/771663003.db2.gz UCNPDCVUYLTTOF-WCBMZHEXSA-N 1 0 308.342 0.968 20 5 DCBDRO CCC(C)(C)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767144 771665924 /nfs/dbraw/zinc/66/59/24/771665924.db2.gz ICKRFMOEHQWCTP-GHMZBOCLSA-N 1 0 314.386 0.052 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC001183857826 771709521 /nfs/dbraw/zinc/70/95/21/771709521.db2.gz JDGKESZJMYUUGM-UHFFFAOYSA-N 1 0 323.353 0.285 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](Nc2cnc3ccc([N+](=O)[O-])cc3n2)CN1 ZINC001158253775 771745861 /nfs/dbraw/zinc/74/58/61/771745861.db2.gz BJQZSWZAKQVZKS-PELKAZGASA-N 1 0 317.305 0.853 20 5 DCBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001159453146 771912737 /nfs/dbraw/zinc/91/27/37/771912737.db2.gz ROVQSHHUZLFTMG-UHFFFAOYSA-N 1 0 322.321 0.759 20 5 DCBDRO C[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@@H]1C[NH2+]CCO1 ZINC001159500209 771920209 /nfs/dbraw/zinc/92/02/09/771920209.db2.gz QXRVEFPBOIQKRQ-APPZFPTMSA-N 1 0 302.718 0.670 20 5 DCBDRO CC[N@@H+]1CC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001187422269 772184082 /nfs/dbraw/zinc/18/40/82/772184082.db2.gz GOPPUNKCHBHUHH-VIFPVBQESA-N 1 0 314.367 0.748 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H](C)CN2CC[NH2+]CC2)n1 ZINC001162094063 772325235 /nfs/dbraw/zinc/32/52/35/772325235.db2.gz XRAZRWWZHMRZRA-JTQLQIEISA-N 1 0 323.353 0.482 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(-n2c(C[NH3+])nc3cnccc32)n1 ZINC001162216063 772342472 /nfs/dbraw/zinc/34/24/72/772342472.db2.gz WNLSFRUSUIQHML-UHFFFAOYSA-N 1 0 315.293 0.894 20 5 DCBDRO O=[N+]([O-])c1c(NCCN2CCCCO2)ncnc1C1C[NH2+]C1 ZINC001162419201 772369490 /nfs/dbraw/zinc/36/94/90/772369490.db2.gz HCDQIHHQTVADRC-UHFFFAOYSA-N 1 0 308.342 0.511 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)n1 ZINC001162802372 772420629 /nfs/dbraw/zinc/42/06/29/772420629.db2.gz MSEVUEGCMFUANH-HBNTYKKESA-N 1 0 318.337 0.838 20 5 DCBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1nnc2n1CCC[NH2+]C2 ZINC001163022184 772445536 /nfs/dbraw/zinc/44/55/36/772445536.db2.gz PGLASSQWYVKAIC-UHFFFAOYSA-N 1 0 323.744 0.762 20 5 DCBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163250961 772491180 /nfs/dbraw/zinc/49/11/80/772491180.db2.gz PSLFJAUGSXGIFB-OCCSQVGLSA-N 1 0 306.322 0.902 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cccc3ncc([N+](=O)[O-])n32)N1 ZINC001163252618 772491731 /nfs/dbraw/zinc/49/17/31/772491731.db2.gz ASTCSMNKHNZQHB-AMIZOPFISA-N 1 0 302.294 0.233 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1F ZINC001163310661 772504157 /nfs/dbraw/zinc/50/41/57/772504157.db2.gz NLACNVWURZXSCI-NOZJJQNGSA-N 1 0 312.301 0.690 20 5 DCBDRO CCOC(=O)c1cn(-c2ncc([N+](=O)[O-])cc2F)nc1C[NH3+] ZINC001163521155 772534235 /nfs/dbraw/zinc/53/42/35/772534235.db2.gz ZBFHJKVGPIKAAJ-UHFFFAOYSA-N 1 0 309.257 0.950 20 5 DCBDRO COc1nc(N2C[C@H](C[NH3+])CC[C@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001164463282 772663600 /nfs/dbraw/zinc/66/36/00/772663600.db2.gz ZCXOBAZGTDQDIY-BDAKNGLRSA-N 1 0 311.342 0.966 20 5 DCBDRO Cc1nc(N2CC(=O)NC3(CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC001165253208 772711349 /nfs/dbraw/zinc/71/13/49/772711349.db2.gz YMFDNXMAQJZDDU-UHFFFAOYSA-N 1 0 305.338 0.357 20 5 DCBDRO COc1nc(N2CCC(C3C[NH2+]C3)CC2)nc(OC)c1[N+](=O)[O-] ZINC001165410935 772734460 /nfs/dbraw/zinc/73/44/60/772734460.db2.gz QGCNKYKNCBIGNR-UHFFFAOYSA-N 1 0 323.353 0.838 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001165437565 772737059 /nfs/dbraw/zinc/73/70/59/772737059.db2.gz SXLQFQBVVCKNQK-GFCCVEGCSA-N 1 0 317.305 0.489 20 5 DCBDRO COc1nc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)ncc1[N+](=O)[O-] ZINC001166702028 772844096 /nfs/dbraw/zinc/84/40/96/772844096.db2.gz XWVBXQWQAUHHIQ-QMMMGPOBSA-N 1 0 317.309 0.483 20 5 DCBDRO Cc1cc(Cl)nc(N(C2C[NH2+]C2)S(C)(=O)=O)c1[N+](=O)[O-] ZINC001166968139 772892688 /nfs/dbraw/zinc/89/26/88/772892688.db2.gz IIIBRPABUMSULF-UHFFFAOYSA-N 1 0 320.758 0.689 20 5 DCBDRO CS(=O)(=O)N(c1nc2ccccc2cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166970408 772894033 /nfs/dbraw/zinc/89/40/33/772894033.db2.gz LNQXFIPNMGIECS-UHFFFAOYSA-N 1 0 322.346 0.881 20 5 DCBDRO Cc1c(C[NH2+]C[C@H](O)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC001203889325 772928666 /nfs/dbraw/zinc/92/86/66/772928666.db2.gz DMFGSYYQWOGLPP-NSHDSACASA-N 1 0 302.352 0.398 20 5 DCBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001194408606 773186914 /nfs/dbraw/zinc/18/69/14/773186914.db2.gz FPMPKZHBUOLPHT-HNNXBMFYSA-N 1 0 323.349 0.525 20 5 DCBDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001195115868 773328600 /nfs/dbraw/zinc/32/86/00/773328600.db2.gz WXLNRTHQWKYDCM-LLVKDONJSA-N 1 0 308.338 0.167 20 5 DCBDRO CNC(=O)NC[C@H]1CCCCN1Cc1cn(C)nc1[N+](=O)[O-] ZINC001196943426 773673535 /nfs/dbraw/zinc/67/35/35/773673535.db2.gz LYONKWLENDJROY-LLVKDONJSA-N 1 0 310.358 0.612 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCOCC2CC2)CC1 ZINC001200472962 774359612 /nfs/dbraw/zinc/35/96/12/774359612.db2.gz WFACEPORPMEFCI-ZIAGYGMSSA-N 1 0 311.382 0.659 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(-n2ccnn2)cc1 ZINC001224188862 775545081 /nfs/dbraw/zinc/54/50/81/775545081.db2.gz TXPSGNLKFLTOIC-OAHLLOKOSA-N 1 0 319.385 0.768 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2[nH]c(=O)ccc2c1 ZINC001225404922 775674948 /nfs/dbraw/zinc/67/49/48/775674948.db2.gz ROPKMYAIWFPIHB-GFCCVEGCSA-O 1 0 305.354 0.891 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1n[nH]c(=O)c2ccccc21 ZINC001228273520 776061321 /nfs/dbraw/zinc/06/13/21/776061321.db2.gz LIMZFRCFYCAEKG-SNVBAGLBSA-O 1 0 306.342 0.698 20 5 DCBDRO C[N@H+](CCNC(=O)Cc1nc[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001480934902 939435128 /nfs/dbraw/zinc/43/51/28/939435128.db2.gz RRTSIFCKOBPCJO-UHFFFAOYSA-N 1 0 318.337 0.504 20 5 DCBDRO O=C(NCC[N@H+](CC1CCOCC1)C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481169328 939593043 /nfs/dbraw/zinc/59/30/43/939593043.db2.gz PIBGEFYAWJHEEP-ZIAGYGMSSA-N 1 0 311.382 0.659 20 5 DCBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319592726 945626768 /nfs/dbraw/zinc/62/67/68/945626768.db2.gz ZTKPHEFZCKZLLM-LLVKDONJSA-N 1 0 308.338 0.215 20 5 DCBDRO CC[NH+](CC)CCCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001320010172 945717264 /nfs/dbraw/zinc/71/72/64/945717264.db2.gz NATVWOQDXSDZDS-UHFFFAOYSA-N 1 0 324.381 0.995 20 5 DCBDRO CNC(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC001256084702 946585475 /nfs/dbraw/zinc/58/54/75/946585475.db2.gz GEXIUZBWRKITMO-UHFFFAOYSA-N 1 0 322.365 0.908 20 5 DCBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC001257292440 946723067 /nfs/dbraw/zinc/72/30/67/946723067.db2.gz JVCLGJWLIIZCQS-UHFFFAOYSA-N 1 0 314.363 0.624 20 5 DCBDRO CC(=O)OC[C@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001462576956 1013071628 /nfs/dbraw/zinc/07/16/28/1013071628.db2.gz SGHRXVYXGLBXGZ-CUOATXAZSA-N 1 0 312.322 0.530 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC001324277306 947375645 /nfs/dbraw/zinc/37/56/45/947375645.db2.gz GBCOWXJGPXRKEG-ONGXEEELSA-N 1 0 320.296 0.102 20 5 DCBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC001263211539 947820235 /nfs/dbraw/zinc/82/02/35/947820235.db2.gz UNGHURZVOVHHPC-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO O=C(C(F)F)N(CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001325957244 947991674 /nfs/dbraw/zinc/99/16/74/947991674.db2.gz JIVMANLQOMPKKT-UHFFFAOYSA-N 1 0 317.292 0.770 20 5 DCBDRO O=C1C[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CN1 ZINC001326161008 948078185 /nfs/dbraw/zinc/07/81/85/948078185.db2.gz UHYVVKCNWBADFU-QWRGUYRKSA-N 1 0 309.322 0.060 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1cnon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001329290570 949484822 /nfs/dbraw/zinc/48/48/22/949484822.db2.gz BXSXBNJIHQYUDV-GHMZBOCLSA-N 1 0 311.342 0.309 20 5 DCBDRO C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC001330019316 950063075 /nfs/dbraw/zinc/06/30/75/950063075.db2.gz JANDMTPQGIBRRG-ZYHUDNBSSA-N 1 0 320.349 0.468 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C2CCOCC2)CC1 ZINC001330662429 950581945 /nfs/dbraw/zinc/58/19/45/950581945.db2.gz VILUIXKBJJEXDJ-UHFFFAOYSA-N 1 0 323.397 0.896 20 5 DCBDRO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001332156790 951499998 /nfs/dbraw/zinc/49/99/98/951499998.db2.gz NSIAELJONDRXSL-GFCCVEGCSA-N 1 0 323.353 0.333 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001335393830 952530064 /nfs/dbraw/zinc/53/00/64/952530064.db2.gz VEJJZAXSAOLZSS-UHFFFAOYSA-N 1 0 322.365 0.403 20 5 DCBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@H]1CO ZINC001340848906 953198998 /nfs/dbraw/zinc/19/89/98/953198998.db2.gz SOOWUBNQSQWFKH-NSHDSACASA-N 1 0 311.363 0.480 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001341044692 953208749 /nfs/dbraw/zinc/20/87/49/953208749.db2.gz MCINBSSURPASAG-NWDGAFQWSA-N 1 0 307.354 0.843 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@H]1COC2(C[NH2+]C2)C1 ZINC001342216371 953276867 /nfs/dbraw/zinc/27/68/67/953276867.db2.gz VPSITYLLPKWHMD-GFCCVEGCSA-N 1 0 323.324 0.914 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001346473754 953898615 /nfs/dbraw/zinc/89/86/15/953898615.db2.gz WAGWCHZWRAFKRS-XHDPSFHLSA-N 1 0 316.361 0.872 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001347428995 954091925 /nfs/dbraw/zinc/09/19/25/954091925.db2.gz OBDNXOREHGWALD-AWEZNQCLSA-N 1 0 308.338 0.437 20 5 DCBDRO Cc1ccc(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001348992779 954558380 /nfs/dbraw/zinc/55/83/80/954558380.db2.gz JSYALCJSXTVORZ-SWLSCSKDSA-N 1 0 318.377 0.908 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC001349840949 954905178 /nfs/dbraw/zinc/90/51/78/954905178.db2.gz NJEVOPCPUWTHQY-RWMBFGLXSA-N 1 0 321.381 0.980 20 5 DCBDRO C[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC001298641145 958670742 /nfs/dbraw/zinc/67/07/42/958670742.db2.gz PRDMJUZNQKPNPI-JTQLQIEISA-N 1 0 307.354 0.885 20 5 DCBDRO Cn1cc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC001308149492 960168913 /nfs/dbraw/zinc/16/89/13/960168913.db2.gz DLHZTTDVKIPZGK-NSHDSACASA-N 1 0 305.342 0.799 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001470964052 1016506774 /nfs/dbraw/zinc/50/67/74/1016506774.db2.gz TUJQSNCBOXLNGP-LBPRGKRZSA-N 1 0 315.333 0.975 20 5 DCBDRO C[N@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])CCOCCO ZINC001471514425 1016591226 /nfs/dbraw/zinc/59/12/26/1016591226.db2.gz JEGYBGNFHNWGML-UHFFFAOYSA-N 1 0 311.338 0.265 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](O)CC23CCC3)c1 ZINC001473566995 1016949256 /nfs/dbraw/zinc/94/92/56/1016949256.db2.gz GXXADUFHMAOWAH-STQMWFEESA-N 1 0 310.354 0.532 20 5 DCBDRO Cc1cc(C(=O)N(C)CC[N@H+](C)CCO)c(N)c([N+](=O)[O-])c1 ZINC001454175753 1008976248 /nfs/dbraw/zinc/97/62/48/1008976248.db2.gz ZJOCKMPORNHQFE-UHFFFAOYSA-N 1 0 310.354 0.482 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001444544588 1011055666 /nfs/dbraw/zinc/05/56/66/1011055666.db2.gz CLITVRMHCQXRES-GXSJLCMTSA-N 1 0 307.354 0.984 20 5 DCBDRO C[C@H]1[C@H](Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001458613483 1012230326 /nfs/dbraw/zinc/23/03/26/1012230326.db2.gz CGWWTDWWMJCOGS-DTWKUNHWSA-N 1 0 314.367 0.747 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC001558070617 1012317506 /nfs/dbraw/zinc/31/75/06/1012317506.db2.gz LPYSOIWINSOHDB-UHFFFAOYSA-N 1 0 323.353 0.691 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001558159006 1012327612 /nfs/dbraw/zinc/32/76/12/1012327612.db2.gz OQISDLSBXLXLRT-LSDHHAIUSA-N 1 0 319.361 0.805 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC001559848880 1012435884 /nfs/dbraw/zinc/43/58/84/1012435884.db2.gz FTHUEOVKKBDLPH-GFCCVEGCSA-N 1 0 303.265 0.458 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001560060757 1012440669 /nfs/dbraw/zinc/44/06/69/1012440669.db2.gz USGIWIPRNZAUFV-KBPBESRZSA-N 1 0 321.337 0.084 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C[C@@H](O)c2ccnn2C)c1[N+](=O)[O-] ZINC001561020272 1012457604 /nfs/dbraw/zinc/45/76/04/1012457604.db2.gz BRNLXXYRKAYUIV-GFCCVEGCSA-N 1 0 322.321 0.866 20 5 DCBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[NH+](C)C ZINC001563307197 1012502349 /nfs/dbraw/zinc/50/23/49/1012502349.db2.gz NPFUEUNDCMNJDE-QMMMGPOBSA-N 1 0 309.326 0.765 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(CCO)(CCO)CC2)n1 ZINC001460617507 1012948086 /nfs/dbraw/zinc/94/80/86/1012948086.db2.gz RRRMKJLIFZTMKK-UHFFFAOYSA-N 1 0 312.370 0.638 20 5 DCBDRO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001522281216 1017477173 /nfs/dbraw/zinc/47/71/73/1017477173.db2.gz XCCJBMNNHSNENE-BHDSKKPTSA-N 1 0 316.317 0.661 20 5 DCBDRO COCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001496500792 1019356101 /nfs/dbraw/zinc/35/61/01/1019356101.db2.gz FFFRGSJPBZCDOI-ZIAGYGMSSA-N 1 0 313.398 0.859 20 5 DCBDRO Cc1oncc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001501951212 1019584717 /nfs/dbraw/zinc/58/47/17/1019584717.db2.gz XVQHOLBCMVDUQB-VXGBXAGGSA-N 1 0 308.338 0.777 20 5 DCBDRO COC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278749669 214374170 /nfs/dbraw/zinc/37/41/70/214374170.db2.gz ASZAHGQKNHANEJ-TZMCWYRMSA-N 1 0 323.349 0.977 20 5 DCBDRO CC(C)[N@@H+](CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181519434 199310268 /nfs/dbraw/zinc/31/02/68/199310268.db2.gz HWQNAXLHSRIXKR-NSHDSACASA-N 1 0 311.338 0.530 20 5 DCBDRO CNS(=O)(=O)c1ccc(N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093794 190681737 /nfs/dbraw/zinc/68/17/37/190681737.db2.gz PSPSRCRGIGKCBB-MRVPVSSYSA-N 1 0 300.340 0.277 20 5 DCBDRO COC[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000174009576 198280174 /nfs/dbraw/zinc/28/01/74/198280174.db2.gz SUUWSVKGJBMRHC-JTQLQIEISA-N 1 0 317.367 0.498 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000178700680 198914338 /nfs/dbraw/zinc/91/43/38/198914338.db2.gz ARQMCHMWJDKQKA-MRVPVSSYSA-N 1 0 315.351 0.465 20 5 DCBDRO Cc1c(C(=O)N(C)[C@@H](C)C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000179197991 198997613 /nfs/dbraw/zinc/99/76/13/198997613.db2.gz YACKWBTVEXLKJP-VIFPVBQESA-N 1 0 318.337 0.903 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262561397 283376455 /nfs/dbraw/zinc/37/64/55/283376455.db2.gz VODBJWNXBHNWOA-DGCLKSJQSA-N 1 0 304.350 0.878 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153147273 237014304 /nfs/dbraw/zinc/01/43/04/237014304.db2.gz KVJWHMUTLWDNDE-CQSZACIVSA-N 1 0 311.338 0.646 20 5 DCBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000566091297 291268301 /nfs/dbraw/zinc/26/83/01/291268301.db2.gz TZHJWDYTZCJJJR-KBPBESRZSA-N 1 0 323.349 0.857 20 5 DCBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]1 ZINC000566188374 291279304 /nfs/dbraw/zinc/27/93/04/291279304.db2.gz FLEQUBDRMZAFND-SECBINFHSA-N 1 0 307.306 0.800 20 5 DCBDRO CNC(=O)CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566968713 291330851 /nfs/dbraw/zinc/33/08/51/291330851.db2.gz FDXUCHKQFBEDAK-LLVKDONJSA-N 1 0 311.338 0.450 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000454721996 240804420 /nfs/dbraw/zinc/80/44/20/240804420.db2.gz VSZRAASVZUYZFW-PWSUYJOCSA-N 1 0 308.342 0.137 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC2CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000567850596 291384453 /nfs/dbraw/zinc/38/44/53/291384453.db2.gz OLNQNBUKUDOUJZ-UHFFFAOYSA-N 1 0 317.371 0.089 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2COc3ccccc32)c1 ZINC000571636780 291524404 /nfs/dbraw/zinc/52/44/04/291524404.db2.gz QGRNZIMHDLRBPN-DGCLKSJQSA-N 1 0 318.333 0.918 20 5 DCBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000288509266 220188673 /nfs/dbraw/zinc/18/86/73/220188673.db2.gz SPRSBUPQIFHYCA-RYUDHWBXSA-N 1 0 307.354 0.877 20 5 DCBDRO Cc1ccc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000021010417 182260262 /nfs/dbraw/zinc/26/02/62/182260262.db2.gz LGQJWRHNLLDYTR-SNVBAGLBSA-N 1 0 315.351 0.604 20 5 DCBDRO Cc1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000572900635 291598034 /nfs/dbraw/zinc/59/80/34/291598034.db2.gz MCCLJHFQGHGNMG-NWDGAFQWSA-N 1 0 318.333 0.287 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCn1cccn1 ZINC000573521232 291637800 /nfs/dbraw/zinc/63/78/00/291637800.db2.gz KKYMCEOFIADOIN-LBPRGKRZSA-N 1 0 306.322 0.821 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000339047588 253025192 /nfs/dbraw/zinc/02/51/92/253025192.db2.gz HPWFTGWALRQJEC-VIFPVBQESA-N 1 0 319.387 0.430 20 5 DCBDRO [NH3+][C@H]1CCc2nc(NC(=O)Cn3cnc([N+](=O)[O-])n3)sc2C1 ZINC000343429635 253653312 /nfs/dbraw/zinc/65/33/12/253653312.db2.gz CSOVTXHFQSPYQF-LURJTMIESA-N 1 0 323.338 0.098 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@@H](CO)CC[C@H]1CO ZINC000347320507 254147555 /nfs/dbraw/zinc/14/75/55/254147555.db2.gz VMIZQQHELVEVKM-BETUJISGSA-N 1 0 323.349 0.659 20 5 DCBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305602 254146749 /nfs/dbraw/zinc/14/67/49/254146749.db2.gz LWUZNHBNAYTIJN-BPLDGKMQSA-N 1 0 323.397 0.711 20 5 DCBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000349300764 254279765 /nfs/dbraw/zinc/27/97/65/254279765.db2.gz TXUNPZZTZDDIAJ-SNVBAGLBSA-N 1 0 312.322 0.959 20 5 DCBDRO C[C@H]1C[NH+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285451943 131169721 /nfs/dbraw/zinc/16/97/21/131169721.db2.gz MSIYEXUFVUBAEO-UWVGGRQHSA-N 1 0 311.342 0.547 20 5 DCBDRO C[C@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000025149073 395693234 /nfs/dbraw/zinc/69/32/34/395693234.db2.gz QPMXCOJQAJYQKC-SNVBAGLBSA-N 1 0 318.337 0.855 20 5 DCBDRO COc1ccc(S(=O)(=O)NC2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000036265752 395722769 /nfs/dbraw/zinc/72/27/69/395722769.db2.gz HHZPIUWKSIMRPW-UHFFFAOYSA-N 1 0 301.324 0.371 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000042742791 395748245 /nfs/dbraw/zinc/74/82/45/395748245.db2.gz LPSKYNWEQXWURP-UHFFFAOYSA-N 1 0 320.349 0.441 20 5 DCBDRO CS[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000270743213 395803461 /nfs/dbraw/zinc/80/34/61/395803461.db2.gz AMSLDXANUPJEQV-WDEREUQCSA-N 1 0 313.383 0.295 20 5 DCBDRO C[NH+](C)Cc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000048321622 395813447 /nfs/dbraw/zinc/81/34/47/395813447.db2.gz ZPDDADWTQXSYQN-UHFFFAOYSA-N 1 0 304.310 0.887 20 5 DCBDRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000050241905 395838153 /nfs/dbraw/zinc/83/81/53/395838153.db2.gz UDVDJCKPYXILQC-SSDOTTSWSA-N 1 0 305.743 0.970 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237393860 395911690 /nfs/dbraw/zinc/91/16/90/395911690.db2.gz SRLHANPYOPJKMN-VIFPVBQESA-N 1 0 304.310 0.500 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000237567205 395914813 /nfs/dbraw/zinc/91/48/13/395914813.db2.gz ZUZCBFJYGJIOEV-UHFFFAOYSA-N 1 0 306.366 0.928 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2CCSCC2)c1 ZINC000229257544 395874032 /nfs/dbraw/zinc/87/40/32/395874032.db2.gz QZVMPGZPIRLHNV-GFCCVEGCSA-N 1 0 300.384 0.885 20 5 DCBDRO CC(C)[N@@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053420777 395883583 /nfs/dbraw/zinc/88/35/83/395883583.db2.gz KOYWHQHOHIXXKU-GFCCVEGCSA-N 1 0 311.338 0.530 20 5 DCBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000150966297 395976544 /nfs/dbraw/zinc/97/65/44/395976544.db2.gz RFLUASAMBZBOMQ-LBPRGKRZSA-N 1 0 324.385 0.965 20 5 DCBDRO CCC[N@H+](CC)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151319332 395983825 /nfs/dbraw/zinc/98/38/25/395983825.db2.gz QJVMFWACZBEMGW-UHFFFAOYSA-N 1 0 312.374 0.822 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000248616709 395991269 /nfs/dbraw/zinc/99/12/69/395991269.db2.gz LZVSIOHRAQRQOW-AVGNSLFASA-N 1 0 321.381 0.994 20 5 DCBDRO CCN(CCS(C)(=O)=O)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154276839 396035117 /nfs/dbraw/zinc/03/51/17/396035117.db2.gz OOIKONOFHTXQPL-ZDUSSCGKSA-N 1 0 316.379 0.995 20 5 DCBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000157437219 396063431 /nfs/dbraw/zinc/06/34/31/396063431.db2.gz CNLQXQNBSCSHNE-BXUZGUMPSA-N 1 0 307.350 0.973 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C[C@H](C)O)C[C@H]1C ZINC000251704041 396017165 /nfs/dbraw/zinc/01/71/65/396017165.db2.gz JMLUKQLHRCRCGL-MNOVXSKESA-N 1 0 322.365 0.825 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCO1 ZINC000163191172 396086196 /nfs/dbraw/zinc/08/61/96/396086196.db2.gz LNPAPRYUFGWTFP-GXFFZTMASA-N 1 0 308.338 0.581 20 5 DCBDRO COC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000069912210 396094651 /nfs/dbraw/zinc/09/46/51/396094651.db2.gz JAFQPCYKLLUBAP-ZDUSSCGKSA-N 1 0 300.311 0.796 20 5 DCBDRO Cc1c(C(=O)NC(C)(C)C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000262535139 396152177 /nfs/dbraw/zinc/15/21/77/396152177.db2.gz AFFXXXRRLQZLND-UHFFFAOYSA-N 1 0 318.337 0.951 20 5 DCBDRO COCC[NH2+]CC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000262620586 396162572 /nfs/dbraw/zinc/16/25/72/396162572.db2.gz PCWSUVSQRRHZTH-UHFFFAOYSA-N 1 0 311.294 0.556 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000075713275 396185404 /nfs/dbraw/zinc/18/54/04/396185404.db2.gz DKSLJUAAQSFBLI-OAHLLOKOSA-N 1 0 320.349 0.647 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000075719016 396186228 /nfs/dbraw/zinc/18/62/28/396186228.db2.gz UBAYVVXUGWXOSS-DZGCQCFKSA-N 1 0 323.397 0.712 20 5 DCBDRO C[NH+]1CCC(CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000263848820 396236981 /nfs/dbraw/zinc/23/69/81/396236981.db2.gz YBROAVICJDILSA-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO CC[C@@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182198711 396247600 /nfs/dbraw/zinc/24/76/00/396247600.db2.gz XAVZUNDVDONNGK-IINYFYTJSA-N 1 0 311.338 0.578 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264474832 396283762 /nfs/dbraw/zinc/28/37/62/396283762.db2.gz VEERABLLFFAJAJ-CYBMUJFWSA-N 1 0 320.393 0.889 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185162016 396320440 /nfs/dbraw/zinc/32/04/40/396320440.db2.gz UXYJNXJCLAYBDE-UTUOFQBUSA-N 1 0 307.354 0.686 20 5 DCBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000286056078 396371999 /nfs/dbraw/zinc/37/19/99/396371999.db2.gz LPDOZCVBYSYFFC-NSHDSACASA-N 1 0 308.338 0.486 20 5 DCBDRO CC(C)[N@@H+]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000269096820 396385978 /nfs/dbraw/zinc/38/59/78/396385978.db2.gz JREBHIIHTRWXOO-UHFFFAOYSA-N 1 0 324.385 0.917 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH2+]CC1 ZINC000269104183 396386489 /nfs/dbraw/zinc/38/64/89/396386489.db2.gz HMYKCMUJRYVCQD-UHFFFAOYSA-N 1 0 306.322 0.147 20 5 DCBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000192651931 396433920 /nfs/dbraw/zinc/43/39/20/396433920.db2.gz KXMDYAGOJHMPCJ-CQSZACIVSA-N 1 0 304.306 0.769 20 5 DCBDRO Cn1ncc(C2CC2)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594732488 396502221 /nfs/dbraw/zinc/50/22/21/396502221.db2.gz LYKJJEQVTMZYNC-GFCCVEGCSA-N 1 0 320.353 0.553 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000594738099 396503166 /nfs/dbraw/zinc/50/31/66/396503166.db2.gz HADMJSUURDLGDB-DGCLKSJQSA-N 1 0 324.768 0.992 20 5 DCBDRO [NH3+]CCn1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 ZINC000594640242 396491396 /nfs/dbraw/zinc/49/13/96/396491396.db2.gz JDAGCYXCNYEMIQ-UHFFFAOYSA-N 1 0 305.298 0.467 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628725 396491564 /nfs/dbraw/zinc/49/15/64/396491564.db2.gz DTHRZHZIHSKRLR-UHFFFAOYSA-N 1 0 307.354 0.926 20 5 DCBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000581364885 396548330 /nfs/dbraw/zinc/54/83/30/396548330.db2.gz PURDOXOEOUUGBX-QWRGUYRKSA-N 1 0 308.338 0.390 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000581364883 396548444 /nfs/dbraw/zinc/54/84/44/396548444.db2.gz PURDOXOEOUUGBX-GHMZBOCLSA-N 1 0 308.338 0.390 20 5 DCBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000595119083 396552004 /nfs/dbraw/zinc/55/20/04/396552004.db2.gz LNGDZGMNLXQMKD-QMMMGPOBSA-N 1 0 303.340 0.490 20 5 DCBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000595120710 396552623 /nfs/dbraw/zinc/55/26/23/396552623.db2.gz FBAIJJHVLPHSGE-MRVPVSSYSA-N 1 0 303.340 0.490 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581478997 396557639 /nfs/dbraw/zinc/55/76/39/396557639.db2.gz KVPIGDNGEXZZEF-JTQLQIEISA-N 1 0 320.349 0.333 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000595245502 396569608 /nfs/dbraw/zinc/56/96/08/396569608.db2.gz SROCBJVPWOCLDH-VIFPVBQESA-N 1 0 308.338 0.874 20 5 DCBDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000562008400 396650696 /nfs/dbraw/zinc/65/06/96/396650696.db2.gz KKHHYBTZFOVITF-JTQLQIEISA-N 1 0 316.383 0.997 20 5 DCBDRO O=C1C[C@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1 ZINC000595374761 396597711 /nfs/dbraw/zinc/59/77/11/396597711.db2.gz JILBDJAIJXQRBO-QWRGUYRKSA-N 1 0 305.338 0.612 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595637910 396641858 /nfs/dbraw/zinc/64/18/58/396641858.db2.gz ZVEDDHSHEBQLLV-MBNYWOFBSA-N 1 0 307.350 0.849 20 5 DCBDRO CC(C)[C@@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000562398395 396661659 /nfs/dbraw/zinc/66/16/59/396661659.db2.gz JJVVEPLGNHNPHS-GFCCVEGCSA-N 1 0 324.385 0.320 20 5 DCBDRO C[C@]1(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[NH2+]C1 ZINC000595993094 396704931 /nfs/dbraw/zinc/70/49/31/396704931.db2.gz VLRAARQIEOVEGM-AWEZNQCLSA-N 1 0 316.321 0.657 20 5 DCBDRO CC(C)(CCC[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000563129311 396705912 /nfs/dbraw/zinc/70/59/12/396705912.db2.gz MRDBVKUWKCEELA-UHFFFAOYSA-N 1 0 302.356 0.786 20 5 DCBDRO CC[NH+]1CCN(CCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596075309 396714489 /nfs/dbraw/zinc/71/44/89/396714489.db2.gz LYHVBXRWYCZREX-UHFFFAOYSA-N 1 0 321.381 0.743 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000600104969 396737929 /nfs/dbraw/zinc/73/79/29/396737929.db2.gz DVSQIWYJXAVIBE-UHFFFAOYSA-N 1 0 322.365 0.870 20 5 DCBDRO C[C@H](c1cnn(C)c1)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858563 396755090 /nfs/dbraw/zinc/75/50/90/396755090.db2.gz WUFKOHLZLSNBEM-MFKMUULPSA-N 1 0 308.342 0.579 20 5 DCBDRO O=c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000564442218 396832659 /nfs/dbraw/zinc/83/26/59/396832659.db2.gz CHEYXPOPNLOGON-LLVKDONJSA-N 1 0 320.305 0.620 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000564793660 396869281 /nfs/dbraw/zinc/86/92/81/396869281.db2.gz RORRBBJOVPKCIJ-AAEUAGOBSA-N 1 0 313.402 0.718 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000376111526 396877120 /nfs/dbraw/zinc/87/71/20/396877120.db2.gz GGRWVRAPEHGDLD-ZWNOBZJWSA-N 1 0 311.363 0.967 20 5 DCBDRO Nc1c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(F)cc1[N+](=O)[O-] ZINC000600530613 396885920 /nfs/dbraw/zinc/88/59/20/396885920.db2.gz IVKNSNCJWHBFBQ-SECBINFHSA-N 1 0 312.301 0.113 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591438536 396921068 /nfs/dbraw/zinc/92/10/68/396921068.db2.gz MTBREQSBKZUMAA-ONGXEEELSA-N 1 0 306.322 0.965 20 5 DCBDRO C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C2 ZINC000597572958 397017524 /nfs/dbraw/zinc/01/75/24/397017524.db2.gz UWITZBVUBLXQSI-UHFFFAOYSA-N 1 0 307.354 0.691 20 5 DCBDRO C[NH+](C)CC(C)(C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000572854333 397102440 /nfs/dbraw/zinc/10/24/40/397102440.db2.gz UUQOASNTBFFWCU-UHFFFAOYSA-N 1 0 302.356 0.608 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601326364 397057720 /nfs/dbraw/zinc/05/77/20/397057720.db2.gz BDMQUNFJSLJHCX-SCVCMEIPSA-N 1 0 320.349 0.977 20 5 DCBDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198312 397123362 /nfs/dbraw/zinc/12/33/62/397123362.db2.gz NMSOAYAYHGYWLJ-JSGCOSHPSA-N 1 0 308.334 0.993 20 5 DCBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592206546 397129144 /nfs/dbraw/zinc/12/91/44/397129144.db2.gz ZOWIGGAUTXVFEJ-WCQYABFASA-N 1 0 324.333 0.829 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000592298488 397145880 /nfs/dbraw/zinc/14/58/80/397145880.db2.gz LZZXEZFSTZBLTP-UHFFFAOYSA-N 1 0 308.338 0.440 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000592434835 397178407 /nfs/dbraw/zinc/17/84/07/397178407.db2.gz OLHLXGJBCRNEOT-CYBMUJFWSA-N 1 0 323.349 0.940 20 5 DCBDRO CC1(C)C[NH2+]CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592372611 397162596 /nfs/dbraw/zinc/16/25/96/397162596.db2.gz CEXJYKFABSJPFV-UHFFFAOYSA-N 1 0 300.340 0.362 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cn(C[C@H]2CC[C@H](C[NH3+])CC2)c1=O ZINC000592158478 397110189 /nfs/dbraw/zinc/11/01/89/397110189.db2.gz DTGHLQJDIHYCFQ-MGCOHNPYSA-N 1 0 308.338 0.621 20 5 DCBDRO Cc1nn(C)c(C(=O)N(C2CC2)C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000592458635 397183388 /nfs/dbraw/zinc/18/33/88/397183388.db2.gz VYBGGSVMMAUAFA-UHFFFAOYSA-N 1 0 307.354 0.993 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000592469465 397184023 /nfs/dbraw/zinc/18/40/23/397184023.db2.gz QURLWJHWUPIWMH-UHFFFAOYSA-N 1 0 321.381 0.370 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567598 397218530 /nfs/dbraw/zinc/21/85/30/397218530.db2.gz DPAQKSLAUJBGKX-NSHDSACASA-N 1 0 307.354 0.972 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601975471 397279003 /nfs/dbraw/zinc/27/90/03/397279003.db2.gz VNZPEJWMRHRNDA-MBNYWOFBSA-N 1 0 308.334 0.913 20 5 DCBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592965834 397307729 /nfs/dbraw/zinc/30/77/29/397307729.db2.gz SJUBKTWNFPTXCF-PQFRYHKHSA-N 1 0 317.349 0.468 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCN2CC[C@H](O)C2)n1 ZINC000599092992 397334413 /nfs/dbraw/zinc/33/44/13/397334413.db2.gz LPPVLBJDGXXRKS-BFHYXJOUSA-N 1 0 323.397 0.931 20 5 DCBDRO CN(CC[NH+]1CCCCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593112551 397330581 /nfs/dbraw/zinc/33/05/81/397330581.db2.gz OPSSSWIROCAFTA-CQSZACIVSA-N 1 0 311.386 0.570 20 5 DCBDRO CC[NH2+][C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602440794 397402786 /nfs/dbraw/zinc/40/27/86/397402786.db2.gz BHMKKOIUYZRUFK-LLVKDONJSA-N 1 0 307.354 0.636 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000594498268 397563774 /nfs/dbraw/zinc/56/37/74/397563774.db2.gz IWIFUWIBBOXINT-CYBMUJFWSA-N 1 0 309.370 0.634 20 5 DCBDRO O=[N+]([O-])c1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)c(F)c1 ZINC000603224609 397585797 /nfs/dbraw/zinc/58/57/97/397585797.db2.gz SFXWHIMCXFZWJH-UHFFFAOYSA-N 1 0 320.328 0.779 20 5 DCBDRO COc1ccc(CNC(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599909280 397538671 /nfs/dbraw/zinc/53/86/71/397538671.db2.gz WVZZXPONTIRASM-NSHDSACASA-N 1 0 324.337 0.391 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2(CCO)CCCC2)c1 ZINC000579231823 397539042 /nfs/dbraw/zinc/53/90/42/397539042.db2.gz VOMZKLNULOXVGU-ZDUSSCGKSA-N 1 0 312.370 0.685 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833509 397622922 /nfs/dbraw/zinc/62/29/22/397622922.db2.gz QEMJFDCCPPWEDE-SGMGOOAPSA-N 1 0 307.350 0.486 20 5 DCBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C[NH+]1CCN(C)CC1 ZINC000604266150 397635418 /nfs/dbraw/zinc/63/54/18/397635418.db2.gz JTJVCRBVKXLOGM-LBPRGKRZSA-N 1 0 323.397 0.547 20 5 DCBDRO CC(C)(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000608839564 397757478 /nfs/dbraw/zinc/75/74/78/397757478.db2.gz JFVCVGMHQFAPOF-SNVBAGLBSA-N 1 0 307.354 0.879 20 5 DCBDRO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471331 158091298 /nfs/dbraw/zinc/09/12/98/158091298.db2.gz ZBDYVYHRKRUHKL-IUCAKERBSA-N 1 0 314.367 0.429 20 5 DCBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000123230320 158228081 /nfs/dbraw/zinc/22/80/81/158228081.db2.gz USAOHYXYCWSKQI-QMMMGPOBSA-N 1 0 305.743 0.888 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000316982159 159003484 /nfs/dbraw/zinc/00/34/84/159003484.db2.gz DCBZOQVEZFNNTD-JKOKRWQUSA-N 1 0 305.334 0.896 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000318437072 159006339 /nfs/dbraw/zinc/00/63/39/159006339.db2.gz XTVMZIVLIRETQZ-SNVBAGLBSA-N 1 0 305.338 0.882 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000318790338 159007091 /nfs/dbraw/zinc/00/70/91/159007091.db2.gz FSCTUVLWISPDTO-UHFFFAOYSA-N 1 0 314.317 0.624 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000367822131 159357871 /nfs/dbraw/zinc/35/78/71/159357871.db2.gz KFWWXKFFVWAOKA-DZGCQCFKSA-N 1 0 324.381 0.901 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000408054605 160024444 /nfs/dbraw/zinc/02/44/44/160024444.db2.gz SWKFCNUJDNSPNT-WDEREUQCSA-N 1 0 307.354 0.885 20 5 DCBDRO CC(C)(C)[NH2+]CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000075650800 286918535 /nfs/dbraw/zinc/91/85/35/286918535.db2.gz OOPSHZLMEFHACE-UHFFFAOYSA-N 1 0 322.365 0.829 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419241329 287276627 /nfs/dbraw/zinc/27/66/27/287276627.db2.gz BVEGJRAHABKNOR-WDEREUQCSA-N 1 0 322.365 0.886 20 5 DCBDRO C[C@@H]([NH3+])CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420411005 287296266 /nfs/dbraw/zinc/29/62/66/287296266.db2.gz BDEQYSHKZHQPKB-SNVBAGLBSA-N 1 0 301.368 0.794 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199136 415176276 /nfs/dbraw/zinc/17/62/76/415176276.db2.gz ODXDIJWHMHBZGG-GXFFZTMASA-N 1 0 307.354 0.780 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000332154977 415274019 /nfs/dbraw/zinc/27/40/19/415274019.db2.gz RFNVYMDZQZEUNG-NSHDSACASA-N 1 0 308.342 0.273 20 5 DCBDRO [NH3+]C1(CNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CCC1 ZINC000342617608 415227446 /nfs/dbraw/zinc/22/74/46/415227446.db2.gz JSPYVBVDUXSXSN-UHFFFAOYSA-N 1 0 316.321 0.787 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[NH2+]C1 ZINC000273043492 415301225 /nfs/dbraw/zinc/30/12/25/415301225.db2.gz PQHFKSDARRCEAM-NSHDSACASA-N 1 0 320.349 0.440 20 5 DCBDRO COC(=O)CC1([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000353035941 415413302 /nfs/dbraw/zinc/41/33/02/415413302.db2.gz XOHSZEJEKNOZCV-LLVKDONJSA-N 1 0 312.326 0.228 20 5 DCBDRO CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000353384123 415526658 /nfs/dbraw/zinc/52/66/58/415526658.db2.gz KBSSGCIFJDXAOD-WDEREUQCSA-N 1 0 307.354 0.594 20 5 DCBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])n1C ZINC000353516605 415574294 /nfs/dbraw/zinc/57/42/94/415574294.db2.gz SBIMHEULGDABNU-NSHDSACASA-N 1 0 324.381 0.851 20 5 DCBDRO COc1ccc(OCC[N@H+](CCO)C[C@H](C)O)c([N+](=O)[O-])c1 ZINC000289925770 415739969 /nfs/dbraw/zinc/73/99/69/415739969.db2.gz UOIATEBNFXLWEQ-NSHDSACASA-N 1 0 314.338 0.657 20 5 DCBDRO Nc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000289959321 415741038 /nfs/dbraw/zinc/74/10/38/415741038.db2.gz WXOLOCTYLHIDOJ-RKDXNWHRSA-N 1 0 308.313 0.998 20 5 DCBDRO COC[C@H]([NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000354068936 415743157 /nfs/dbraw/zinc/74/31/57/415743157.db2.gz VDVMKWCDOCXYKG-NSHDSACASA-N 1 0 310.354 0.795 20 5 DCBDRO Cc1c(C(=O)NCC[NH+](C)C)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000120326124 415763297 /nfs/dbraw/zinc/76/32/97/415763297.db2.gz JCYIFGGSSMQGAZ-UHFFFAOYSA-N 1 0 318.337 0.775 20 5 DCBDRO CO[C@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000290126749 415764968 /nfs/dbraw/zinc/76/49/68/415764968.db2.gz LGIRRPINWNURQT-AAEUAGOBSA-N 1 0 309.322 0.927 20 5 DCBDRO COC[C@](C)(CC(=O)OC)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000123504964 415841431 /nfs/dbraw/zinc/84/14/31/415841431.db2.gz OTIOACLXGMSUFT-LBPRGKRZSA-N 1 0 300.315 0.349 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000354714248 415817118 /nfs/dbraw/zinc/81/71/18/415817118.db2.gz QYOMUUOLRDFANY-UHFFFAOYSA-N 1 0 311.313 0.920 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000127071617 415881417 /nfs/dbraw/zinc/88/14/17/415881417.db2.gz PLEXAWUUGXDWGC-NSHDSACASA-N 1 0 301.306 0.872 20 5 DCBDRO Nc1c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cccc1[N+](=O)[O-] ZINC000295430718 415892150 /nfs/dbraw/zinc/89/21/50/415892150.db2.gz KRUOTINUFKYECX-LLVKDONJSA-N 1 0 322.365 0.754 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356468592 415927776 /nfs/dbraw/zinc/92/77/76/415927776.db2.gz QYUUMNJLKFEGAF-UHFFFAOYSA-N 1 0 311.342 0.169 20 5 DCBDRO Cc1nn(C)c(N(C)CCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000301302502 416080216 /nfs/dbraw/zinc/08/02/16/416080216.db2.gz WABUMONXCJCZMQ-UHFFFAOYSA-N 1 0 310.402 0.710 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000358057973 416180919 /nfs/dbraw/zinc/18/09/19/416180919.db2.gz PSERQXXGSZXVSV-AWEZNQCLSA-N 1 0 323.305 0.120 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000180548844 416196888 /nfs/dbraw/zinc/19/68/88/416196888.db2.gz RGJHCDHLQSZRTP-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000359085197 416305475 /nfs/dbraw/zinc/30/54/75/416305475.db2.gz HZPAULVNDPXEKV-LLVKDONJSA-N 1 0 309.370 0.299 20 5 DCBDRO O=C1NC(=O)[C@]2(CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)N1 ZINC000192678588 416310030 /nfs/dbraw/zinc/31/00/30/416310030.db2.gz UFDUDFLNZMKATH-CQSZACIVSA-N 1 0 322.296 0.908 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC[NH2+]C ZINC000263113314 416337310 /nfs/dbraw/zinc/33/73/10/416337310.db2.gz FFHFUFMKNNMOPX-SNVBAGLBSA-N 1 0 312.374 0.505 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000263746200 416339039 /nfs/dbraw/zinc/33/90/39/416339039.db2.gz JISHTKCWSLRSQH-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415416900 416342392 /nfs/dbraw/zinc/34/23/92/416342392.db2.gz LLDIVSGHNDRSBZ-ZETCQYMHSA-N 1 0 314.729 0.992 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415472729 416344774 /nfs/dbraw/zinc/34/47/74/416344774.db2.gz YPSZTLBOALWTDT-SNVBAGLBSA-N 1 0 310.285 0.622 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCCCN1CC[NH2+]CC1 ZINC000237994904 416329524 /nfs/dbraw/zinc/32/95/24/416329524.db2.gz IBKGSNVZAKWULA-UHFFFAOYSA-N 1 0 322.365 0.385 20 5 DCBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000416498070 416372755 /nfs/dbraw/zinc/37/27/55/416372755.db2.gz VZJPJHJWUFOMNP-SECBINFHSA-N 1 0 317.342 0.964 20 5 DCBDRO C[C@@H](CO)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361500588 416441172 /nfs/dbraw/zinc/44/11/72/416441172.db2.gz GTDDBHCUXFTVKX-SMDDNHRTSA-N 1 0 312.370 0.635 20 5 DCBDRO CN(C(=O)C[N@@H+]1CC[C@](C)(C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000361565673 416452101 /nfs/dbraw/zinc/45/21/01/416452101.db2.gz NTWIHWLFQAIDEG-HNNXBMFYSA-N 1 0 320.349 0.755 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423698459 416542906 /nfs/dbraw/zinc/54/29/06/416542906.db2.gz NKMWRCUMGLRPBS-SECBINFHSA-N 1 0 300.265 0.904 20 5 DCBDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000362027203 416545801 /nfs/dbraw/zinc/54/58/01/416545801.db2.gz NRJSKZYETZWBMT-STQMWFEESA-N 1 0 311.338 0.540 20 5 DCBDRO O=C(CCOC1C[NH2+]C1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423723098 416549515 /nfs/dbraw/zinc/54/95/15/416549515.db2.gz LBOCLEZYSNJYQK-UHFFFAOYSA-N 1 0 305.294 0.788 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000535005519 416510303 /nfs/dbraw/zinc/51/03/03/416510303.db2.gz YPIJICWJGVHZBD-AWEZNQCLSA-N 1 0 304.350 0.601 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000423455573 416514291 /nfs/dbraw/zinc/51/42/91/416514291.db2.gz MQLZYOIBZWYAOK-VIFPVBQESA-N 1 0 308.338 0.344 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1C[NH2+]CCO1 ZINC000423983618 416599047 /nfs/dbraw/zinc/59/90/47/416599047.db2.gz ANDRCUGJENFBFU-NSHDSACASA-N 1 0 313.741 0.895 20 5 DCBDRO CCOc1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423992068 416601067 /nfs/dbraw/zinc/60/10/67/416601067.db2.gz NSNKTNYCXNLTOG-LLVKDONJSA-N 1 0 309.322 0.712 20 5 DCBDRO COc1ccc(C(=O)Nc2nn(C)c(C)c2C[NH3+])cc1[N+](=O)[O-] ZINC000595960367 416574578 /nfs/dbraw/zinc/57/45/78/416574578.db2.gz DFMREINLQPRXRS-UHFFFAOYSA-N 1 0 319.321 1.356 20 5 DCBDRO Cc1ccc([C@H]([NH3+])C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000423901924 416586705 /nfs/dbraw/zinc/58/67/05/416586705.db2.gz LHCTZQGTKRYHKD-ZDUSSCGKSA-N 1 0 303.322 0.916 20 5 DCBDRO [NH3+][C@@H](Cc1ccccc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423913027 416587005 /nfs/dbraw/zinc/58/70/05/416587005.db2.gz WOGWRZZNIDLDNK-ZDUSSCGKSA-N 1 0 303.322 0.478 20 5 DCBDRO CCN1CCCC[C@@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856254 416679439 /nfs/dbraw/zinc/67/94/39/416679439.db2.gz BIKGIROGAKUUKN-OCCSQVGLSA-N 1 0 311.386 0.616 20 5 DCBDRO C[NH+]1CCC([C@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000366765294 416637273 /nfs/dbraw/zinc/63/72/73/416637273.db2.gz HIHHKDZVAVSCAW-NSHDSACASA-N 1 0 306.370 1.135 20 5 DCBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000368607376 416673822 /nfs/dbraw/zinc/67/38/22/416673822.db2.gz HLUGRRHMKSLKOF-GZMMTYOYSA-N 1 0 305.294 0.787 20 5 DCBDRO Nc1nccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000548738470 416690792 /nfs/dbraw/zinc/69/07/92/416690792.db2.gz SMKQUFZFPHKLIS-QWRGUYRKSA-N 1 0 305.338 0.929 20 5 DCBDRO C[C@@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369441469 416776812 /nfs/dbraw/zinc/77/68/12/416776812.db2.gz ULFKYDQIHLIRFZ-DGCLKSJQSA-N 1 0 323.349 0.545 20 5 DCBDRO O=C1NCCN1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000370002111 416863553 /nfs/dbraw/zinc/86/35/53/416863553.db2.gz MSOMNQNTJQEWSX-NSHDSACASA-N 1 0 308.342 0.281 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000429102107 287334741 /nfs/dbraw/zinc/33/47/41/287334741.db2.gz YTTJFJWBMNXBCP-QWRGUYRKSA-N 1 0 324.385 0.695 20 5 DCBDRO Cn1c(C(=O)NCCCC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000518021375 416838445 /nfs/dbraw/zinc/83/84/45/416838445.db2.gz QOSLJVOAMDXFDY-UHFFFAOYSA-N 1 0 323.397 0.691 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000564978827 416901684 /nfs/dbraw/zinc/90/16/84/416901684.db2.gz GPRVUBJLEOPFAF-VHSXEESVSA-N 1 0 308.338 0.453 20 5 DCBDRO CNc1nccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000565181890 416937969 /nfs/dbraw/zinc/93/79/69/416937969.db2.gz NXZWGRNNLOTLEV-RYUDHWBXSA-N 1 0 319.365 1.388 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000429017047 416944160 /nfs/dbraw/zinc/94/41/60/416944160.db2.gz BYRGDYYZIUADRA-JTQLQIEISA-N 1 0 308.338 0.568 20 5 DCBDRO COCC[C@@]1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCOC1 ZINC000447381370 416991124 /nfs/dbraw/zinc/99/11/24/416991124.db2.gz GUUFIJBDJLHJHD-CQSZACIVSA-N 1 0 311.338 0.542 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381518759 417084983 /nfs/dbraw/zinc/08/49/83/417084983.db2.gz WUNFMPAPHGNVMY-YUMQZZPRSA-N 1 0 303.340 0.617 20 5 DCBDRO Cc1nc(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000450299501 417218345 /nfs/dbraw/zinc/21/83/45/417218345.db2.gz BBOPBIFJBABFBN-NSHDSACASA-N 1 0 322.369 0.693 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000449702994 417166333 /nfs/dbraw/zinc/16/63/33/417166333.db2.gz SYPMIRMSJUZBIG-GFCCVEGCSA-N 1 0 321.381 0.417 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415269422 417348886 /nfs/dbraw/zinc/34/88/86/417348886.db2.gz LLFUGUMDXDJLNV-SECBINFHSA-N 1 0 310.285 0.622 20 5 DCBDRO C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000531044056 417602955 /nfs/dbraw/zinc/60/29/55/417602955.db2.gz KUWCBCNINNDGCF-NSHDSACASA-N 1 0 320.349 0.991 20 5 DCBDRO CC[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000457129574 417690030 /nfs/dbraw/zinc/69/00/30/417690030.db2.gz WMQBODPSHHKXCM-LBPRGKRZSA-N 1 0 321.381 0.979 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])n1 ZINC000440844394 287409726 /nfs/dbraw/zinc/40/97/26/287409726.db2.gz ISBPIWZHMXAMHC-BDAKNGLRSA-N 1 0 317.371 0.088 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc1 ZINC000354581271 261239807 /nfs/dbraw/zinc/23/98/07/261239807.db2.gz RQRHHPCESOZDMJ-UHFFFAOYSA-N 1 0 323.353 0.048 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOCC23CCCC3)c1 ZINC000362419566 262032815 /nfs/dbraw/zinc/03/28/15/262032815.db2.gz TVHICQFMBHPWKK-ZDUSSCGKSA-N 1 0 310.354 0.797 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000394076289 262162071 /nfs/dbraw/zinc/16/20/71/262162071.db2.gz QQNYJFHBPISPKB-GXMNPTEKSA-N 1 0 304.350 0.628 20 5 DCBDRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000417125201 262246969 /nfs/dbraw/zinc/24/69/69/262246969.db2.gz AYGFOKNUROKDML-BXUZGUMPSA-N 1 0 321.381 0.859 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC000417849174 262263974 /nfs/dbraw/zinc/26/39/74/262263974.db2.gz LGLSSLXYNQSQHH-ZKYQVNSYSA-N 1 0 322.365 0.844 20 5 DCBDRO C[C@@]1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[NH2+]C1 ZINC000417915782 262265062 /nfs/dbraw/zinc/26/50/62/262265062.db2.gz UCYVFNJNIIPEDI-CYBMUJFWSA-N 1 0 310.358 0.480 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418788046 262290001 /nfs/dbraw/zinc/29/00/01/262290001.db2.gz VAHLENRSGNNGGC-ZYHUDNBSSA-N 1 0 320.349 0.640 20 5 DCBDRO CC(C)([NH3+])CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418876316 262294915 /nfs/dbraw/zinc/29/49/15/262294915.db2.gz YPNLFFNCQXNRLX-UHFFFAOYSA-N 1 0 308.338 0.107 20 5 DCBDRO C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419154983 262314031 /nfs/dbraw/zinc/31/40/31/262314031.db2.gz SDGUPFBSXGTWSK-VIFPVBQESA-N 1 0 308.338 0.626 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419161824 262315374 /nfs/dbraw/zinc/31/53/74/262315374.db2.gz FHNHYLMTRJHLDG-ZETCQYMHSA-N 1 0 314.729 0.328 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000419999162 262357308 /nfs/dbraw/zinc/35/73/08/262357308.db2.gz RMTDZLBHLZPFBU-NSHDSACASA-N 1 0 322.365 0.449 20 5 DCBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000420464669 262374242 /nfs/dbraw/zinc/37/42/42/262374242.db2.gz KISJDNSICHOSMY-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418736364 271252801 /nfs/dbraw/zinc/25/28/01/271252801.db2.gz UPGRUXANOCHMAL-LLVKDONJSA-N 1 0 322.369 0.559 20 5 DCBDRO [NH3+][C@H](CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419044691 271269303 /nfs/dbraw/zinc/26/93/03/271269303.db2.gz UOFKDNYMWWRHRS-GFCCVEGCSA-N 1 0 320.349 0.107 20 5 DCBDRO C[NH2+]C[C@@H](C)CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000420206141 271362980 /nfs/dbraw/zinc/36/29/80/271362980.db2.gz PTMAAMHSFKTFJQ-MRVPVSSYSA-N 1 0 302.356 0.510 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430562 271368147 /nfs/dbraw/zinc/36/81/47/271368147.db2.gz DKNFAGJVLJILPX-UHFFFAOYSA-N 1 0 301.368 0.618 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420432410 271368807 /nfs/dbraw/zinc/36/88/07/271368807.db2.gz HAWWDRCHHBFNOV-UHFFFAOYSA-N 1 0 301.368 0.618 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000422715262 271379496 /nfs/dbraw/zinc/37/94/96/271379496.db2.gz SDPNAJXBGMGTDF-UHFFFAOYSA-N 1 0 320.349 0.455 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000449702201 271859652 /nfs/dbraw/zinc/85/96/52/271859652.db2.gz CWXOKBUYLRELFQ-NSHDSACASA-N 1 0 309.322 0.712 20 5 DCBDRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459825704 272013910 /nfs/dbraw/zinc/01/39/10/272013910.db2.gz LGIRRPINWNURQT-WCQYABFASA-N 1 0 309.322 0.927 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491797886 272105340 /nfs/dbraw/zinc/10/53/40/272105340.db2.gz QMRSDQNXKSCKPB-XHPSBEMXSA-N 1 0 318.377 0.970 20 5 DCBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CNCCO1 ZINC000415092217 274472600 /nfs/dbraw/zinc/47/26/00/274472600.db2.gz FQLJBQYWQAFTQI-BXUZGUMPSA-N 1 0 322.365 0.890 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237963240 274948612 /nfs/dbraw/zinc/94/86/12/274948612.db2.gz TYSHIMBKNYUAJG-JTQLQIEISA-N 1 0 316.317 1.000 20 5 DCBDRO CS[C@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000270795311 278166343 /nfs/dbraw/zinc/16/63/43/278166343.db2.gz VSXOTQLWWSXOHO-IUCAKERBSA-N 1 0 313.383 0.744 20 5 DCBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])C1 ZINC000547728272 288073224 /nfs/dbraw/zinc/07/32/24/288073224.db2.gz GESWABUAIHKJOQ-JTQLQIEISA-N 1 0 311.342 0.405 20 5 DCBDRO Cc1noc(C)c1C[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564856854 288778543 /nfs/dbraw/zinc/77/85/43/288778543.db2.gz YZVCQUGXEGKESF-TVQRCGJNSA-N 1 0 323.353 0.978 20 5 DCBDRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000122338939 295302614 /nfs/dbraw/zinc/30/26/14/295302614.db2.gz KWAOZZNVSWTLBV-MRVPVSSYSA-N 1 0 303.315 0.846 20 5 DCBDRO NS(=O)(=O)c1ccc(N2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000044559373 303396825 /nfs/dbraw/zinc/39/68/25/303396825.db2.gz GOIFKZFGQHFVMS-VIFPVBQESA-N 1 0 314.367 0.560 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000582360602 336942772 /nfs/dbraw/zinc/94/27/72/336942772.db2.gz VRSVVHZSPCJERJ-WDEREUQCSA-N 1 0 322.365 0.496 20 5 DCBDRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000172304354 341796335 /nfs/dbraw/zinc/79/63/35/341796335.db2.gz PCNWHJLIVYYOKY-UHFFFAOYSA-N 1 0 306.322 0.745 20 5 DCBDRO C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000576107701 341827186 /nfs/dbraw/zinc/82/71/86/341827186.db2.gz ZVXOUOWDMGVIQF-SECBINFHSA-N 1 0 300.340 0.362 20 5 DCBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000576943327 341871189 /nfs/dbraw/zinc/87/11/89/341871189.db2.gz BZOGWYMPACPQAH-NSHDSACASA-N 1 0 310.354 0.588 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H]1C[NH3+] ZINC000156102479 522986396 /nfs/dbraw/zinc/98/63/96/522986396.db2.gz CGNVYQUNMLQNTN-JTQLQIEISA-N 1 0 315.351 0.715 20 5 DCBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000270276733 523784126 /nfs/dbraw/zinc/78/41/26/523784126.db2.gz URMZULYNZAPCHP-CYBMUJFWSA-N 1 0 321.381 0.982 20 5 DCBDRO C[C@H]1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC[NH2+]1 ZINC000237582385 524545041 /nfs/dbraw/zinc/54/50/41/524545041.db2.gz BZYMTNGXCKODBM-JTQLQIEISA-N 1 0 316.321 0.609 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000191713189 527502715 /nfs/dbraw/zinc/50/27/15/527502715.db2.gz JEKMVTHDBVPLEE-UHFFFAOYSA-N 1 0 322.365 0.754 20 5 DCBDRO C[N@H+](CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C1CC1 ZINC000821602613 606701534 /nfs/dbraw/zinc/70/15/34/606701534.db2.gz KQXLMNXPIVRVKF-UHFFFAOYSA-N 1 0 304.314 0.676 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063873 658817705 /nfs/dbraw/zinc/81/77/05/658817705.db2.gz NJLMMMZBZSELFT-IQOUGMIPSA-N 1 0 320.349 0.954 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)[NH2+]C ZINC000261759893 661629404 /nfs/dbraw/zinc/62/94/04/661629404.db2.gz OFNBMMSRGPLTFB-WPRPVWTQSA-N 1 0 312.374 0.551 20 5 DCBDRO C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896556073 662290302 /nfs/dbraw/zinc/29/03/02/662290302.db2.gz NZGFRICXEJZCJZ-QMTHXVAHSA-N 1 0 322.365 0.665 20 5 DCBDRO NC(=O)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000984725130 662290873 /nfs/dbraw/zinc/29/08/73/662290873.db2.gz LGAKKGDJKYZCPX-XWEPSHTISA-N 1 0 312.351 0.126 20 5 DCBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCN(C(=O)C(N)=O)CC1 ZINC000985613286 662492398 /nfs/dbraw/zinc/49/23/98/662492398.db2.gz MGLUSYLAMODXRY-UHFFFAOYSA-N 1 0 320.349 0.503 20 5 DCBDRO Cc1c(C(=O)NC[C@@H](C)C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237403988 662835320 /nfs/dbraw/zinc/83/53/20/662835320.db2.gz AOOMFAKYGAWZPA-VIFPVBQESA-N 1 0 318.337 0.809 20 5 DCBDRO O=C(NCC1CC1)[C@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1 ZINC000054521636 662884242 /nfs/dbraw/zinc/88/42/42/662884242.db2.gz WUWYUBJGFYNKFO-LBPRGKRZSA-N 1 0 307.354 0.987 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC(C[NH+](C)C)C1 ZINC000902697516 663427312 /nfs/dbraw/zinc/42/73/12/663427312.db2.gz ZOXGTMUKAUIBNP-UHFFFAOYSA-N 1 0 320.349 0.862 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000903877809 663491980 /nfs/dbraw/zinc/49/19/80/663491980.db2.gz WYKBMVWZMVKINC-AWEZNQCLSA-N 1 0 322.365 0.844 20 5 DCBDRO CC(C)(C)OC(=O)N1CCN(CCC[NH2+]CC[N+](=O)[O-])CC1 ZINC000905049218 663526420 /nfs/dbraw/zinc/52/64/20/663526420.db2.gz ITDGMXOEGXTAIC-UHFFFAOYSA-N 1 0 316.402 0.796 20 5 DCBDRO CC(=O)N1CCN(c2ccccc2C[NH2+]CC[N+](=O)[O-])CC1 ZINC000905091012 663529167 /nfs/dbraw/zinc/52/91/67/663529167.db2.gz WXQOPLWWZCQVNM-UHFFFAOYSA-N 1 0 306.366 0.721 20 5 DCBDRO CC(C)(C)OC(=O)N1CCO[C@@](C)(C[NH2+]CC[N+](=O)[O-])C1 ZINC000905584190 663567014 /nfs/dbraw/zinc/56/70/14/663567014.db2.gz HCAMTNXCBVLHLR-ZDUSSCGKSA-N 1 0 303.359 0.879 20 5 DCBDRO C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000912813239 664231365 /nfs/dbraw/zinc/23/13/65/664231365.db2.gz HCHJVTDDEPBHKP-VXGBXAGGSA-N 1 0 324.385 0.765 20 5 DCBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903971 664246615 /nfs/dbraw/zinc/24/66/15/664246615.db2.gz NGZXWUDICSPTBQ-KBPBESRZSA-N 1 0 305.334 0.935 20 5 DCBDRO Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000997773072 665336026 /nfs/dbraw/zinc/33/60/26/665336026.db2.gz RYFZJXAUSQPHJF-ZIAGYGMSSA-N 1 0 322.365 0.976 20 5 DCBDRO NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001003535122 666323483 /nfs/dbraw/zinc/32/34/83/666323483.db2.gz OUDDLQMBDGNNIG-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO CC[C@H]1COCCN1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000871760399 667847456 /nfs/dbraw/zinc/84/74/56/667847456.db2.gz KZIAYBASEBEPDS-NSHDSACASA-N 1 0 310.354 0.774 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890078772 668093166 /nfs/dbraw/zinc/09/31/66/668093166.db2.gz KIXOJKOXJRJYEN-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839620090 668125407 /nfs/dbraw/zinc/12/54/07/668125407.db2.gz GKTYMBDDZFUQPH-GHMZBOCLSA-N 1 0 315.370 0.384 20 5 DCBDRO Cc1c(CN2C(=O)N[C@H](C[NH+](C)C)C2=O)cccc1[N+](=O)[O-] ZINC000924732190 668233101 /nfs/dbraw/zinc/23/31/01/668233101.db2.gz XEIGHZCYQSJYPR-LLVKDONJSA-N 1 0 306.322 0.885 20 5 DCBDRO CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000926140554 668376767 /nfs/dbraw/zinc/37/67/67/668376767.db2.gz CPZXFKYOGGUZPD-RWXDJMAFSA-N 1 0 311.382 0.248 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CN4CCC[C@@H]4CO3)C2)c1 ZINC000877022231 668553627 /nfs/dbraw/zinc/55/36/27/668553627.db2.gz QUPGREFVADXGBH-HNQLUHSGSA-N 1 0 321.381 0.948 20 5 DCBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929246647 668667687 /nfs/dbraw/zinc/66/76/87/668667687.db2.gz ICCVNCVNWBZPGN-HNNXBMFYSA-N 1 0 321.377 0.993 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531011 669054596 /nfs/dbraw/zinc/05/45/96/669054596.db2.gz PQTHKZBUVKJYIJ-TXEJJXNPSA-N 1 0 319.317 0.650 20 5 DCBDRO C[C@@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000783910199 669180122 /nfs/dbraw/zinc/18/01/22/669180122.db2.gz DBBYKPQLJOVILM-OLZOCXBDSA-N 1 0 309.366 0.970 20 5 DCBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000786775189 669329674 /nfs/dbraw/zinc/32/96/74/669329674.db2.gz FILFJEZEGCFBST-NXEZZACHSA-N 1 0 311.363 0.654 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@H]21 ZINC000881438910 669343044 /nfs/dbraw/zinc/34/30/44/669343044.db2.gz IYYKZIBZZYEBLC-JOYOIKCWSA-N 1 0 306.322 0.862 20 5 DCBDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158651351 669927770 /nfs/dbraw/zinc/92/77/70/669927770.db2.gz URWRVOWVHUUOJQ-BXKDBHETSA-N 1 0 302.352 0.651 20 5 DCBDRO NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cn2nccc2[N+](=O)[O-])C1 ZINC000840181127 670454019 /nfs/dbraw/zinc/45/40/19/670454019.db2.gz ZEFSIJCLQZODGI-HNNXBMFYSA-N 1 0 315.333 0.878 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1 ZINC000812322991 670573459 /nfs/dbraw/zinc/57/34/59/670573459.db2.gz JILBXYVVBZBASQ-NEPJUHHUSA-N 1 0 320.349 0.167 20 5 DCBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000855415009 670710719 /nfs/dbraw/zinc/71/07/19/670710719.db2.gz PVHJVUBTOAZQSL-UHFFFAOYSA-N 1 0 324.385 0.185 20 5 DCBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000850593981 670921609 /nfs/dbraw/zinc/92/16/09/670921609.db2.gz KGCCIJSRNXPROJ-QMMMGPOBSA-N 1 0 303.340 0.490 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000850864566 670951096 /nfs/dbraw/zinc/95/10/96/670951096.db2.gz PXWVPZOWNYUKCH-SSDOTTSWSA-N 1 0 312.301 0.705 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1C[NH2+]CCO1 ZINC000818011244 670962223 /nfs/dbraw/zinc/96/22/23/670962223.db2.gz CZXNATHKAICMMO-JTQLQIEISA-N 1 0 313.285 0.217 20 5 DCBDRO COCCN(CCC(=O)OC)Cc1onc(C)c1[N+](=O)[O-] ZINC000851771605 671030004 /nfs/dbraw/zinc/03/00/04/671030004.db2.gz KBZXAPBGBNZYGX-UHFFFAOYSA-N 1 0 301.299 0.903 20 5 DCBDRO C[S@@](=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819032159 671087060 /nfs/dbraw/zinc/08/70/60/671087060.db2.gz CJUVERHFTOBNIQ-PRWKNARSSA-N 1 0 302.352 0.303 20 5 DCBDRO COCCN1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819040468 671087576 /nfs/dbraw/zinc/08/75/76/671087576.db2.gz YZBAWHGAPOJSJO-DZGCQCFKSA-N 1 0 309.366 0.939 20 5 DCBDRO Cc1noc(C)c1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819144304 671098254 /nfs/dbraw/zinc/09/82/54/671098254.db2.gz YZROQOYHDOWTLF-ZDUSSCGKSA-N 1 0 323.353 0.979 20 5 DCBDRO Cn1nncc1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819314860 671111274 /nfs/dbraw/zinc/11/12/74/671111274.db2.gz NKVQXGFFYOEZQB-LBPRGKRZSA-N 1 0 307.310 0.253 20 5 DCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852792077 671160808 /nfs/dbraw/zinc/16/08/08/671160808.db2.gz QSRMIVGLQFJQCM-ZDUSSCGKSA-N 1 0 305.334 0.980 20 5 DCBDRO C[C@@H](C[NH3+])c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823116827 671370433 /nfs/dbraw/zinc/37/04/33/671370433.db2.gz ZNHNPPHJISASRZ-VIFPVBQESA-N 1 0 319.321 0.899 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000825182848 671452264 /nfs/dbraw/zinc/45/22/64/671452264.db2.gz CLPLXEGMQWCSKE-LBPRGKRZSA-N 1 0 322.365 0.769 20 5 DCBDRO C[NH+](C)CCCOC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000825266102 671454917 /nfs/dbraw/zinc/45/49/17/671454917.db2.gz VDJLIYLBWRNFBQ-UHFFFAOYSA-N 1 0 309.322 0.820 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000831280056 671662971 /nfs/dbraw/zinc/66/29/71/671662971.db2.gz BXMGODLSJHKRAH-MBNYWOFBSA-N 1 0 305.334 0.648 20 5 DCBDRO C[C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000831582989 671675601 /nfs/dbraw/zinc/67/56/01/671675601.db2.gz HGKDSFLQLSILKV-SNVBAGLBSA-N 1 0 303.322 0.765 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841198104 671919367 /nfs/dbraw/zinc/91/93/67/671919367.db2.gz YTYCYFLPXATNSD-ZETCQYMHSA-N 1 0 314.729 0.898 20 5 DCBDRO Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842801427 672038824 /nfs/dbraw/zinc/03/88/24/672038824.db2.gz LAZUDWZMXSLQER-OCAPTIKFSA-N 1 0 303.315 0.810 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000843061240 672057836 /nfs/dbraw/zinc/05/78/36/672057836.db2.gz CUYZPWGXJOQZBR-LSDHHAIUSA-N 1 0 309.366 0.675 20 5 DCBDRO CCOC(=O)C[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074676 672059554 /nfs/dbraw/zinc/05/95/54/672059554.db2.gz HTKFBHPDRFZSQP-AAEUAGOBSA-N 1 0 312.322 0.532 20 5 DCBDRO [NH3+]CCc1noc(CN2C(=O)COc3ccc([N+](=O)[O-])cc32)n1 ZINC000843131112 672065547 /nfs/dbraw/zinc/06/55/47/672065547.db2.gz YDQSCBBJBPHDPZ-UHFFFAOYSA-N 1 0 319.277 0.405 20 5 DCBDRO O=C(CO[C@H]1CCC[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000843370391 672088401 /nfs/dbraw/zinc/08/84/01/672088401.db2.gz RBQFGMOMDBCMQN-AWEZNQCLSA-N 1 0 322.365 0.892 20 5 DCBDRO Cc1cnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001020139625 693710636 /nfs/dbraw/zinc/71/06/36/693710636.db2.gz IMDAVWBTRQZRAA-FPQZTECRSA-N 1 0 305.338 0.187 20 5 DCBDRO CN(CC[NH2+]CCOCC(F)(F)F)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731911865 1157805154 /nfs/dbraw/zinc/80/51/54/1157805154.db2.gz PTRNXGYCHFEKHX-RKDXNWHRSA-N 1 0 313.276 0.279 20 5 DCBDRO C[C@@]([NH3+])(C(=O)NC[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC001576508193 1164370056 /nfs/dbraw/zinc/37/00/56/1164370056.db2.gz OPTHTJGORNAPPI-CABCVRRESA-N 1 0 320.349 0.554 20 5 DCBDRO C[C@@]([NH3+])(C(=O)NC[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC001576508194 1164370168 /nfs/dbraw/zinc/37/01/68/1164370168.db2.gz OPTHTJGORNAPPI-GJZGRUSLSA-N 1 0 320.349 0.554 20 5 DCBDRO CN(C[C@H](O)C[NH3+])C(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC001578446248 1165020036 /nfs/dbraw/zinc/02/00/36/1165020036.db2.gz SSEHZRAHLKZEAK-SNVBAGLBSA-N 1 0 319.321 0.172 20 5 DCBDRO CN(CC1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001578459658 1165024889 /nfs/dbraw/zinc/02/48/89/1165024889.db2.gz YYZVAYOUQIWUGW-UHFFFAOYSA-N 1 0 314.367 0.610 20 5 DCBDRO CN1CCOC[C@H]1CNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578539639 1165052582 /nfs/dbraw/zinc/05/25/82/1165052582.db2.gz BXHBKHOISZWOMT-HIFRSBDPSA-N 1 0 322.365 0.216 20 5 DCBDRO CNC(=O)c1ccc(N2CC[NH2+][C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001578562314 1165061902 /nfs/dbraw/zinc/06/19/02/1165061902.db2.gz BVIWEUSVKLPGHQ-NSHDSACASA-N 1 0 308.338 0.115 20 5 DCBDRO CNc1ccc(C(=O)N2CCC([NH2+]CCO)CC2)cc1[N+](=O)[O-] ZINC001578755234 1165096200 /nfs/dbraw/zinc/09/62/00/1165096200.db2.gz TYFUGTAVSLPFML-UHFFFAOYSA-N 1 0 322.365 0.823 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001579479426 1165327063 /nfs/dbraw/zinc/32/70/63/1165327063.db2.gz OYCQYXHDEGYKTA-TVQRCGJNSA-N 1 0 306.322 0.941 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001579824439 1165403679 /nfs/dbraw/zinc/40/36/79/1165403679.db2.gz ASCSRCGKPRBEMF-SNVBAGLBSA-N 1 0 309.326 0.302 20 5 DCBDRO [NH3+][C@@H]1CC=C(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC001580170953 1165526312 /nfs/dbraw/zinc/52/63/12/1165526312.db2.gz CSTUTCUGIXDYON-GFCCVEGCSA-N 1 0 317.349 0.686 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001580667570 1165680703 /nfs/dbraw/zinc/68/07/03/1165680703.db2.gz WTHQJWQIFSRRGP-JTQLQIEISA-N 1 0 323.305 0.432 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001580840729 1165733319 /nfs/dbraw/zinc/73/33/19/1165733319.db2.gz QNYCKCIULBJWDN-VFQAQYNWSA-N 1 0 316.317 0.604 20 5 DCBDRO O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC001580875146 1165748766 /nfs/dbraw/zinc/74/87/66/1165748766.db2.gz AYBVUBFPYRNOCB-UHFFFAOYSA-N 1 0 311.363 0.766 20 5 DCBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)C[NH+](C)C ZINC001589876968 1166706571 /nfs/dbraw/zinc/70/65/71/1166706571.db2.gz BAQRLGLTDWZPEH-MRVPVSSYSA-N 1 0 320.357 0.967 20 5 DCBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001590731473 1166988297 /nfs/dbraw/zinc/98/82/97/1166988297.db2.gz UEJCKWYOVAKIAQ-QMMMGPOBSA-N 1 0 318.341 0.863 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)c(F)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001593469482 1167857140 /nfs/dbraw/zinc/85/71/40/1167857140.db2.gz SCWOHSIUPUYYBL-YUMQZZPRSA-N 1 0 319.300 0.570 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N1CC([NH+]2CCCC2)C1 ZINC001593470975 1167860364 /nfs/dbraw/zinc/86/03/64/1167860364.db2.gz SJGLLBSXUDLFJZ-UHFFFAOYSA-N 1 0 316.325 0.454 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[NH2+][C@H](CO)C1CC1 ZINC001593482206 1167867305 /nfs/dbraw/zinc/86/73/05/1167867305.db2.gz MXOUBLDRTMEIIF-LLVKDONJSA-N 1 0 304.310 0.635 20 5 DCBDRO CC(C)(CO)N1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001598141227 1168017978 /nfs/dbraw/zinc/01/79/78/1168017978.db2.gz OQICCPXAIJFESP-UHFFFAOYSA-N 1 0 323.353 0.101 20 5 DCBDRO CCC[N@H+](CCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604211887 1169526474 /nfs/dbraw/zinc/52/64/74/1169526474.db2.gz SWNGOTAKVUWSQY-UHFFFAOYSA-N 1 0 306.326 0.979 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001607077644 1170382125 /nfs/dbraw/zinc/38/21/25/1170382125.db2.gz QDANZVVMSIOMQH-RYUDHWBXSA-N 1 0 315.337 0.426 20 5 DCBDRO CNC(=O)NC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001618547041 1171399369 /nfs/dbraw/zinc/39/93/69/1171399369.db2.gz GZVGFQVSPZJVIE-UHFFFAOYSA-N 1 0 310.358 0.493 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001635993472 1171722078 /nfs/dbraw/zinc/72/20/78/1171722078.db2.gz OWUMUCVXYWACSK-QMMMGPOBSA-N 1 0 316.745 0.483 20 5 DCBDRO CCO[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1N)C[NH+](C)C ZINC001637703393 1171775008 /nfs/dbraw/zinc/77/50/08/1171775008.db2.gz WEBNUFJEDXIHSB-LLVKDONJSA-N 1 0 310.354 0.874 20 5 DCBDRO COC(=O)C12CCC(CC1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001644144687 1171997262 /nfs/dbraw/zinc/99/72/62/1171997262.db2.gz XPTCZFUXIMUYSM-KHJSKFAYSA-N 1 0 324.337 0.322 20 5 DCBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC001647728955 1173053787 /nfs/dbraw/zinc/05/37/87/1173053787.db2.gz MFRAYLCQACLOOY-JTQLQIEISA-N 1 0 309.326 0.301 20 5 DCBDRO CCOC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956917 1173813760 /nfs/dbraw/zinc/81/37/60/1173813760.db2.gz XUVJQOMPMAWMHH-ZYHUDNBSSA-N 1 0 312.326 0.037 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)n1 ZINC001654982380 1173813800 /nfs/dbraw/zinc/81/38/00/1173813800.db2.gz AYVQBJDEHVWNLG-RKDXNWHRSA-N 1 0 317.371 0.089 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001655310108 1173818059 /nfs/dbraw/zinc/81/80/59/1173818059.db2.gz WQWCAPSUJZVLRH-CQSZACIVSA-N 1 0 311.338 0.829 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001655439192 1173820760 /nfs/dbraw/zinc/82/07/60/1173820760.db2.gz JRRMSTAVPFSJMN-PWSUYJOCSA-N 1 0 304.310 0.631 20 5 DCBDRO COCC[C@H](CO)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001656148752 1173846260 /nfs/dbraw/zinc/84/62/60/1173846260.db2.gz HFWOLQCMLVSWNP-SNVBAGLBSA-N 1 0 300.311 0.796 20 5 DCBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(CO)COC[C@@H]3CCCN32)c1 ZINC001658175843 1173920636 /nfs/dbraw/zinc/92/06/36/1173920636.db2.gz SAHROTHNOUOBEX-JKSUJKDBSA-N 1 0 321.377 0.910 20 5 DCBDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001659076303 1173929633 /nfs/dbraw/zinc/92/96/33/1173929633.db2.gz FYMTXZNJVYWPKD-LLVKDONJSA-N 1 0 306.322 0.262 20 5 DCBDRO CCn1nnc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668821743 1174844419 /nfs/dbraw/zinc/84/44/19/1174844419.db2.gz RFDGURYVVYATKZ-GKUNOOHESA-N 1 0 322.369 0.034 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@H](O)C1 ZINC001677207790 1175547410 /nfs/dbraw/zinc/54/74/10/1175547410.db2.gz VQYYCNPONJWUMN-AWEZNQCLSA-N 1 0 322.365 0.503 20 5 DCBDRO CCn1nc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001723020027 1184250578 /nfs/dbraw/zinc/25/05/78/1184250578.db2.gz MIKZGMNAQIZBAH-DGCLKSJQSA-N 1 0 324.385 0.210 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]CCOc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731444309 1185335692 /nfs/dbraw/zinc/33/56/92/1185335692.db2.gz LCKUOBZRGPLDIO-QHSBEEBCSA-N 1 0 319.361 0.967 20 5 DCBDRO COc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001733098398 1186137996 /nfs/dbraw/zinc/13/79/96/1186137996.db2.gz ABCVVWPOHIAUSM-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO CN(CCC[NH2+]Cc1ccc(CO)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733100165 1186139436 /nfs/dbraw/zinc/13/94/36/1186139436.db2.gz YUPYGUQHIUZSNS-HUUCEWRRSA-N 1 0 321.377 0.782 20 5 DCBDRO COc1cccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001733242717 1186198263 /nfs/dbraw/zinc/19/82/63/1186198263.db2.gz JDSPIZLCPRHAEK-VXGBXAGGSA-N 1 0 320.349 0.494 20 5 DCBDRO Cc1oncc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733772922 1186441902 /nfs/dbraw/zinc/44/19/02/1186441902.db2.gz NGSKBVSYNHNMQW-CHWSQXEVSA-N 1 0 310.354 0.929 20 5 DCBDRO CN(C)c1cccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001753049052 1188483873 /nfs/dbraw/zinc/48/38/73/1188483873.db2.gz PQXIWBXWWZAVJB-HUUCEWRRSA-N 1 0 320.393 0.966 20 5 DCBDRO NC(=O)c1nc(-n2ccc3cc(C[NH3+])cnc32)ccc1[N+](=O)[O-] ZINC001167305293 747082743 /nfs/dbraw/zinc/08/27/43/747082743.db2.gz XMYGYEWTFJYWJE-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1nc(C[NH3+])c2ccccc21 ZINC001167695296 747746162 /nfs/dbraw/zinc/74/61/62/747746162.db2.gz FVHZJYHEZPBRMG-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO Cn1ncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1N ZINC001126087168 748214454 /nfs/dbraw/zinc/21/44/54/748214454.db2.gz WMMFYBDYHUWSFM-UHFFFAOYSA-N 1 0 318.337 0.430 20 5 DCBDRO CCOC(=O)c1ccc(-n2nnc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167792074 748314784 /nfs/dbraw/zinc/31/47/84/748314784.db2.gz TYNUMJUARZVITF-UHFFFAOYSA-N 1 0 306.282 0.248 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001167902332 748479467 /nfs/dbraw/zinc/47/94/67/748479467.db2.gz WAFGEMOUPRLJSO-SECBINFHSA-N 1 0 307.310 0.935 20 5 DCBDRO Cn1nccc1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126393612 748692078 /nfs/dbraw/zinc/69/20/78/748692078.db2.gz ZAFKLRDXWJQYOU-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO Cn1cnc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001126677871 749596148 /nfs/dbraw/zinc/59/61/48/749596148.db2.gz GIIMWIQDRJJLJF-UHFFFAOYSA-N 1 0 304.310 0.243 20 5 DCBDRO O=C(NCC[NH2+]CCCOCC(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126939412 750152335 /nfs/dbraw/zinc/15/23/35/750152335.db2.gz XHWNXFDSWXKQNW-RKDXNWHRSA-N 1 0 313.276 0.326 20 5 DCBDRO Cc1cc(Cl)nc(N(CC[NH3+])S(C)(=O)=O)c1[N+](=O)[O-] ZINC001154765923 758819065 /nfs/dbraw/zinc/81/90/65/758819065.db2.gz MVUKMWBFSYQAOB-UHFFFAOYSA-N 1 0 308.747 0.676 20 5 DCBDRO Cn1ccnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086082350 759691344 /nfs/dbraw/zinc/69/13/44/759691344.db2.gz KNNUWWFOCCUOKG-WRWGMCAJSA-N 1 0 307.354 0.070 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cscn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084394 759694459 /nfs/dbraw/zinc/69/44/59/759694459.db2.gz PAXHUPWPJOJPLB-RBLKWDMZSA-N 1 0 310.379 0.793 20 5 DCBDRO [NH3+]Cc1nnnn1-c1cc([N+](=O)[O-])cc(Br)n1 ZINC001168919956 760512126 /nfs/dbraw/zinc/51/21/26/760512126.db2.gz DONZDNWZVIVPAN-UHFFFAOYSA-N 1 0 300.076 0.187 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCCCC2)C1 ZINC001168968441 760534403 /nfs/dbraw/zinc/53/44/03/760534403.db2.gz ZDJXLSBQIYJZMS-CHWSQXEVSA-N 1 0 319.427 0.837 20 5 DCBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)NCC(N)=O ZINC001169001200 760541214 /nfs/dbraw/zinc/54/12/14/760541214.db2.gz DLLZANJKPKRQES-SRVKXCTJSA-N 1 0 314.386 0.038 20 5 DCBDRO [NH3+]CCC(=O)NCCc1cncn1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987271 760545311 /nfs/dbraw/zinc/54/53/11/760545311.db2.gz HVMJFVQBZQGQGF-VXGBXAGGSA-N 1 0 309.370 0.509 20 5 DCBDRO CN(C)C(=O)c1nn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169018373 760559467 /nfs/dbraw/zinc/55/94/67/760559467.db2.gz AVVXYEHLNMRPIC-GHMZBOCLSA-N 1 0 321.381 0.849 20 5 DCBDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169025861 760560693 /nfs/dbraw/zinc/56/06/93/760560693.db2.gz ZJJQUGLFTNSMKC-RGCMKSIDSA-N 1 0 311.382 0.659 20 5 DCBDRO CCS(=O)(=O)N([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169049669 760563683 /nfs/dbraw/zinc/56/36/83/760563683.db2.gz XQKQUBIKBLMZKE-YPMHNXCESA-N 1 0 319.427 0.836 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@@H](O)C(F)(F)F)ncnc1C1C[NH2+]C1 ZINC001169456485 760683290 /nfs/dbraw/zinc/68/32/90/760683290.db2.gz SCVDNFOINIJFAT-ZCFIWIBFSA-N 1 0 307.232 0.407 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001123493962 767986666 /nfs/dbraw/zinc/98/66/66/767986666.db2.gz CXYDIPOVQTYHPT-WFASDCNBSA-N 1 0 318.377 0.942 20 5 DCBDRO [NH3+]CCOCCOCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC001170511168 763441111 /nfs/dbraw/zinc/44/11/11/763441111.db2.gz KZTHFHVJIDDHCC-UHFFFAOYSA-N 1 0 304.734 0.469 20 5 DCBDRO CN(CCNC(=O)CCC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC001100286557 763459658 /nfs/dbraw/zinc/45/96/58/763459658.db2.gz DHUGZPLQRKKOET-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N(C)CCNC(=O)CC[NH+](C)C)n1 ZINC001100299633 763471006 /nfs/dbraw/zinc/47/10/06/763471006.db2.gz PUFHUFPFUSCSGT-UHFFFAOYSA-N 1 0 309.370 0.802 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H](C)[C@H]2C[NH2+]CCO2)n1 ZINC001170566190 763846190 /nfs/dbraw/zinc/84/61/90/763846190.db2.gz XJFAWOFEQCXYJX-LDYMZIIASA-N 1 0 310.310 0.565 20 5 DCBDRO NC(=O)C1(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001133187655 764860507 /nfs/dbraw/zinc/86/05/07/764860507.db2.gz FPGCZQBMHKEGSZ-UHFFFAOYSA-N 1 0 306.322 0.066 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccnn1 ZINC001135637308 766018436 /nfs/dbraw/zinc/01/84/36/766018436.db2.gz JLQGELVQWCOFMO-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CC1 ZINC001135900159 766156301 /nfs/dbraw/zinc/15/63/01/766156301.db2.gz ARKPZRPNLHVXJU-UHFFFAOYSA-N 1 0 320.349 0.327 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2C[NH2+]C[C@H]2CO)n1 ZINC001159670731 766192522 /nfs/dbraw/zinc/19/25/22/766192522.db2.gz FZDJAIXEJMABPY-NTSWFWBYSA-N 1 0 319.774 0.752 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001118037456 766203016 /nfs/dbraw/zinc/20/30/16/766203016.db2.gz CPZAPUXTNAHYOK-UWVGGRQHSA-N 1 0 308.338 0.544 20 5 DCBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001118947047 766481072 /nfs/dbraw/zinc/48/10/72/766481072.db2.gz MWYSNYPEICVWEW-GFCCVEGCSA-N 1 0 322.365 0.605 20 5 DCBDRO O=C(C[NH2+][C@H](CO)[C@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC001171144955 766812278 /nfs/dbraw/zinc/81/22/78/766812278.db2.gz SLOBRDATFCSSOZ-WCQYABFASA-N 1 0 323.349 0.910 20 5 DCBDRO C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)C[C@H](C)[NH2+]1 ZINC001120863427 767270562 /nfs/dbraw/zinc/27/05/62/767270562.db2.gz XITLZUWJHOQDRJ-AOOOYVTPSA-N 1 0 319.365 0.972 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OC2C[NH+](CC3CC3)C2)CC1 ZINC001093536932 768611131 /nfs/dbraw/zinc/61/11/31/768611131.db2.gz YMISMFVAYBPNAU-HUUCEWRRSA-N 1 0 323.393 0.753 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001142744710 768660859 /nfs/dbraw/zinc/66/08/59/768660859.db2.gz AYIAAKQIDFYDJX-GFCCVEGCSA-N 1 0 322.365 0.754 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C(CO)(CO)CO)CC2 ZINC001172900999 769514366 /nfs/dbraw/zinc/51/43/66/769514366.db2.gz IOQKJGDZYKYHEZ-CYBMUJFWSA-N 1 0 310.350 0.148 20 5 DCBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)NCC(N)=O ZINC001173224149 769566101 /nfs/dbraw/zinc/56/61/01/769566101.db2.gz MLPQOXJFSFOHNV-UWVGGRQHSA-N 1 0 308.338 0.105 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2([C@@H]3CCCCO3)CC2)c1 ZINC001176431656 770098659 /nfs/dbraw/zinc/09/86/59/770098659.db2.gz IBYVXAJAVXTKRL-STQMWFEESA-N 1 0 310.354 0.844 20 5 DCBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001154748550 770283631 /nfs/dbraw/zinc/28/36/31/770283631.db2.gz DAULCYQFRZKRGQ-VIFPVBQESA-N 1 0 310.314 0.604 20 5 DCBDRO Cc1nc(Cl)nc(N(CC[NH3+])S(C)(=O)=O)c1[N+](=O)[O-] ZINC001154766867 770287893 /nfs/dbraw/zinc/28/78/93/770287893.db2.gz RKXJLYAQFZHXKR-UHFFFAOYSA-N 1 0 309.735 0.071 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@H]2COCCC23C[NH2+]C3)c1 ZINC001155470824 770514341 /nfs/dbraw/zinc/51/43/41/770514341.db2.gz WYJDIQATSKQNEN-VIFPVBQESA-N 1 0 314.729 0.672 20 5 DCBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)c21 ZINC001155509895 770530256 /nfs/dbraw/zinc/53/02/56/770530256.db2.gz GLJYRQNDCPWSPQ-FBIMIBRVSA-N 1 0 301.306 0.937 20 5 DCBDRO COC(=O)c1cnc(NC[C@]23C[NH2+]C[C@H]2COC3)c([N+](=O)[O-])c1 ZINC001155516625 770533079 /nfs/dbraw/zinc/53/30/79/770533079.db2.gz DVBZKYVXISPNBU-HZMBPMFUSA-N 1 0 322.321 0.424 20 5 DCBDRO CC(C)[C@@](C)(Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(N)=O ZINC001156651413 770887587 /nfs/dbraw/zinc/88/75/87/770887587.db2.gz NDLRBBREUDWSGZ-CYBMUJFWSA-N 1 0 308.342 0.384 20 5 DCBDRO Nc1cc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)ccn1 ZINC001156763842 770916328 /nfs/dbraw/zinc/91/63/28/770916328.db2.gz GIYTVQZIMFZDJN-UHFFFAOYSA-N 1 0 301.310 0.661 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH+]3CCC2CC3)n1 ZINC001179894594 771029063 /nfs/dbraw/zinc/02/90/63/771029063.db2.gz PSBITYJUXJMJCQ-NSHDSACASA-N 1 0 307.354 0.883 20 5 DCBDRO O=c1ccc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c[nH]1 ZINC001157517741 771623993 /nfs/dbraw/zinc/62/39/93/771623993.db2.gz AHFCJZPNSVZOCQ-UHFFFAOYSA-N 1 0 302.294 0.784 20 5 DCBDRO Cc1c[nH]nc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001157669652 771651439 /nfs/dbraw/zinc/65/14/39/771651439.db2.gz BTIHVHABWLMAOH-UHFFFAOYSA-N 1 0 321.341 0.270 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC(=N)N1CC[NH+](C)CC1 ZINC001157914894 771692540 /nfs/dbraw/zinc/69/25/40/771692540.db2.gz OKPMRJBYWGBMHH-UHFFFAOYSA-N 1 0 322.325 0.370 20 5 DCBDRO COc1ncnc(N2CCO[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC001158309741 771757281 /nfs/dbraw/zinc/75/72/81/771757281.db2.gz SFBCCILTPYGXDX-NSHDSACASA-N 1 0 323.353 0.694 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCc2ncn3c2C[NH2+]CCC3)c1 ZINC001158355553 771763046 /nfs/dbraw/zinc/76/30/46/771763046.db2.gz AADFOILPWLBRGK-UHFFFAOYSA-N 1 0 304.310 0.530 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001158634274 771796895 /nfs/dbraw/zinc/79/68/95/771796895.db2.gz AWCVFQCSBWVVQH-YGRLFVJLSA-N 1 0 306.322 0.721 20 5 DCBDRO COC(=O)c1cnc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001159499664 771920121 /nfs/dbraw/zinc/92/01/21/771920121.db2.gz UORMEALZGIACEJ-KCJUWKMLSA-N 1 0 310.310 0.565 20 5 DCBDRO COc1cc2ncnc(N[C@@H]3C[NH2+]C[C@@H]3CO)c2cc1[N+](=O)[O-] ZINC001159677585 771943161 /nfs/dbraw/zinc/94/31/61/771943161.db2.gz LAEWYDNOXQDUOC-LDYMZIIASA-N 1 0 319.321 0.539 20 5 DCBDRO CCC(=O)N1CC[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C1 ZINC001161111308 772170844 /nfs/dbraw/zinc/17/08/44/772170844.db2.gz JPRRPIXCXSSZEF-JTQLQIEISA-N 1 0 320.353 0.494 20 5 DCBDRO COC(=O)c1cnc(NCCN2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001161866795 772291655 /nfs/dbraw/zinc/29/16/55/772291655.db2.gz ANNQPZCQHKOMQP-UHFFFAOYSA-N 1 0 323.353 0.611 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)n1 ZINC001162802367 772420825 /nfs/dbraw/zinc/42/08/25/772420825.db2.gz MSEVUEGCMFUANH-GARJFASQSA-N 1 0 318.337 0.838 20 5 DCBDRO COC1CC(CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001162986353 772439486 /nfs/dbraw/zinc/43/94/86/772439486.db2.gz URYJKHMZWSZSQG-UHFFFAOYSA-N 1 0 322.369 0.631 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3nc[nH]c3c2[N+](=O)[O-])N1 ZINC001163253998 772493478 /nfs/dbraw/zinc/49/34/78/772493478.db2.gz OJXYXZUMXJSCSI-TVQRCGJNSA-N 1 0 302.294 0.461 20 5 DCBDRO CCOC(=O)CC1([NH3+])CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001163533107 772537140 /nfs/dbraw/zinc/53/71/40/772537140.db2.gz RBDSQRYWHYAWLD-UHFFFAOYSA-N 1 0 323.353 0.944 20 5 DCBDRO C[C@@H]1CC[C@@H](O)CN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164118963 772613852 /nfs/dbraw/zinc/61/38/52/772613852.db2.gz AFFFCYHNJZJRER-GHMZBOCLSA-N 1 0 322.369 0.144 20 5 DCBDRO O=C1CCCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@H]1F ZINC001164140362 772615989 /nfs/dbraw/zinc/61/59/89/772615989.db2.gz YZAOJQRHTHSXQB-SECBINFHSA-N 1 0 309.301 0.579 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC001164260301 772633250 /nfs/dbraw/zinc/63/32/50/772633250.db2.gz BTKPQUFJJCTOLO-OTYXRUKQSA-N 1 0 305.338 0.477 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2cnc3c2C[NH2+]CC3)n1 ZINC001164317200 772645337 /nfs/dbraw/zinc/64/53/37/772645337.db2.gz OOCXPKZLBDXYJW-UHFFFAOYSA-N 1 0 317.309 0.483 20 5 DCBDRO N[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1(F)F ZINC001164329813 772647225 /nfs/dbraw/zinc/64/72/25/772647225.db2.gz ZVCTVNFAIOIKQA-VIFPVBQESA-N 1 0 314.296 0.244 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1cnoc1 ZINC001164459597 772662948 /nfs/dbraw/zinc/66/29/48/772662948.db2.gz ZFSSJBDJSIYENX-UHFFFAOYSA-N 1 0 322.325 0.155 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001165284356 772717301 /nfs/dbraw/zinc/71/73/01/772717301.db2.gz ZRWQFODQQFMXGI-PELKAZGASA-N 1 0 313.745 0.365 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c(=N)sc2c1CC[NH2+]C2 ZINC001166860505 772871929 /nfs/dbraw/zinc/87/19/29/772871929.db2.gz LLUVHIBYZBHNCK-UHFFFAOYSA-N 1 0 307.335 0.514 20 5 DCBDRO N=c1sc2c(n1-c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC[NH2+]C2 ZINC001166860219 772871958 /nfs/dbraw/zinc/87/19/58/772871958.db2.gz UWAJVNGGCIXPFW-UHFFFAOYSA-N 1 0 322.306 0.875 20 5 DCBDRO COc1nc(-n2c(=N)sc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001166859593 772872142 /nfs/dbraw/zinc/87/21/42/772872142.db2.gz IMLHXICNXYRQJJ-UHFFFAOYSA-N 1 0 308.323 0.371 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001166963048 772890456 /nfs/dbraw/zinc/89/04/56/772890456.db2.gz GMFTXBIHEVELMU-SFYZADRCSA-N 1 0 300.702 0.722 20 5 DCBDRO CN(C(=O)CN1CC[C@H](O)[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC001195213560 773350323 /nfs/dbraw/zinc/35/03/23/773350323.db2.gz BJIMFVAKSBSWEH-FZMZJTMJSA-N 1 0 323.349 0.233 20 5 DCBDRO NC(=O)C(=O)NCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001224295082 775555470 /nfs/dbraw/zinc/55/54/70/775555470.db2.gz TZMWCOKLPTWFDB-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)Cc1cnoc1 ZINC001266813440 939243814 /nfs/dbraw/zinc/24/38/14/939243814.db2.gz RIRPJAGPDHMUKF-UHFFFAOYSA-N 1 0 322.325 0.107 20 5 DCBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccn(C)n1 ZINC001481350268 939756053 /nfs/dbraw/zinc/75/60/53/939756053.db2.gz IALTVZDNYDLYOO-ZIAGYGMSSA-N 1 0 323.397 0.802 20 5 DCBDRO O=C(NCC1([NH2+]CCc2ccns2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269411482 940701523 /nfs/dbraw/zinc/70/15/23/940701523.db2.gz JBBAWDKGKXQBIQ-GHMZBOCLSA-N 1 0 310.379 0.589 20 5 DCBDRO COC(=O)[C@@H]1CN([C@@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001246933238 945522064 /nfs/dbraw/zinc/52/20/64/945522064.db2.gz RFXKJIVFESZYRN-UHTWSYAYSA-N 1 0 307.350 0.958 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC[NH2+]C[C@H]2O)n1 ZINC001247755542 945573909 /nfs/dbraw/zinc/57/39/09/945573909.db2.gz NYWYQSGRZNRYMD-VXNVDRBHSA-N 1 0 309.257 0.617 20 5 DCBDRO COC1(Cc2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]C1 ZINC001247768136 945574781 /nfs/dbraw/zinc/57/47/81/945574781.db2.gz YKJHVRYGYKXWGW-UHFFFAOYSA-N 1 0 309.257 0.710 20 5 DCBDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001462381543 1013065362 /nfs/dbraw/zinc/06/53/62/1013065362.db2.gz DKFKYZACALHDTE-JTQLQIEISA-N 1 0 309.322 0.877 20 5 DCBDRO Cc1nnsc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322505666 946704405 /nfs/dbraw/zinc/70/44/05/946704405.db2.gz OYVOSMPQQKSEFW-NXEZZACHSA-N 1 0 313.383 0.450 20 5 DCBDRO CN1CC[NH+](CC2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001261791565 947439114 /nfs/dbraw/zinc/43/91/14/947439114.db2.gz VBFIUXOPGYXOHO-UHFFFAOYSA-N 1 0 307.354 0.379 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC001325610493 947855318 /nfs/dbraw/zinc/85/53/18/947855318.db2.gz KUIWHFSROVCZJC-YUSALJHKSA-N 1 0 323.353 0.642 20 5 DCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1c([N+](=O)[O-])cnn1C ZINC001325707207 947889788 /nfs/dbraw/zinc/88/97/88/947889788.db2.gz KOMWIXYWSIVTJR-LLVKDONJSA-N 1 0 324.385 0.084 20 5 DCBDRO Cn1nccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001280480376 950896260 /nfs/dbraw/zinc/89/62/60/950896260.db2.gz LWEVXJSGJRNOQB-VXGBXAGGSA-N 1 0 307.354 0.214 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001331612657 951193529 /nfs/dbraw/zinc/19/35/29/951193529.db2.gz MGWHJIDMJZEOCH-MWLCHTKSSA-N 1 0 324.385 0.001 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC001274448526 951639004 /nfs/dbraw/zinc/63/90/04/951639004.db2.gz RABRCSSYNDRKSF-UPHRSURJSA-N 1 0 316.321 0.789 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC001336082949 952641946 /nfs/dbraw/zinc/64/19/46/952641946.db2.gz XIWZYOMVNAPJTM-LBPRGKRZSA-N 1 0 307.354 0.700 20 5 DCBDRO COc1cccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC001338419482 953009528 /nfs/dbraw/zinc/00/95/28/953009528.db2.gz SGFSUOYTKVPPJR-CYBMUJFWSA-N 1 0 321.337 0.388 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001340861658 953199861 /nfs/dbraw/zinc/19/98/61/953199861.db2.gz DJLNBNJHTIHFTA-LLVKDONJSA-N 1 0 313.379 0.726 20 5 DCBDRO C[C@H]([NH3+])CONC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001341237840 953218711 /nfs/dbraw/zinc/21/87/11/953218711.db2.gz DEOKWKFLOBWBOT-JTQLQIEISA-N 1 0 324.337 0.440 20 5 DCBDRO COc1ccc(CNC(=O)[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC001343179397 953327020 /nfs/dbraw/zinc/32/70/20/953327020.db2.gz IWNCIDMNGFENRQ-GFCCVEGCSA-N 1 0 308.338 0.123 20 5 DCBDRO CSc1ccc(C(=O)N2CC[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001344516474 953492674 /nfs/dbraw/zinc/49/26/74/953492674.db2.gz BHHKPFWIKLDLAH-JTQLQIEISA-N 1 0 311.363 0.723 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C[C@H]2[NH3+])cn1 ZINC001345494290 953673813 /nfs/dbraw/zinc/67/38/13/953673813.db2.gz JZLRCZZZNUSIIV-VHSXEESVSA-N 1 0 304.310 0.223 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001347386531 954082761 /nfs/dbraw/zinc/08/27/61/954082761.db2.gz YQRPSXRCRRARKF-IUODEOHRSA-N 1 0 318.377 0.642 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001348747935 954454006 /nfs/dbraw/zinc/45/40/06/954454006.db2.gz PSOMZRMQRJEXSK-SDDRHHMPSA-N 1 0 320.349 0.213 20 5 DCBDRO O=C1CCCN1C[C@@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001349317505 954707318 /nfs/dbraw/zinc/70/73/18/954707318.db2.gz CYHWZDKOHJFBKI-KBPBESRZSA-N 1 0 323.349 0.201 20 5 DCBDRO C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001353230574 955985574 /nfs/dbraw/zinc/98/55/74/955985574.db2.gz DAMHNZYXSDIIFY-NXEZZACHSA-N 1 0 322.325 0.209 20 5 DCBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001300596666 956374161 /nfs/dbraw/zinc/37/41/61/956374161.db2.gz LUVZZPWFMFZKIY-UHFFFAOYSA-N 1 0 323.353 0.691 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1 ZINC001354992895 956575257 /nfs/dbraw/zinc/57/52/57/956575257.db2.gz XZEDCJFIKMSDKE-CYBMUJFWSA-N 1 0 310.354 0.797 20 5 DCBDRO C[C@H](NC(=O)N1CCNCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001356581613 956898874 /nfs/dbraw/zinc/89/88/74/956898874.db2.gz BVAGIBAPCYOYHF-LBPRGKRZSA-N 1 0 321.381 0.860 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001357253053 957239497 /nfs/dbraw/zinc/23/94/97/957239497.db2.gz DSEJXGOZIFVHHD-OAHLLOKOSA-N 1 0 320.393 0.937 20 5 DCBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001463747242 1013162411 /nfs/dbraw/zinc/16/24/11/1013162411.db2.gz MOOYORVJTGGWEV-IUCAKERBSA-N 1 0 317.371 0.041 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001308161278 960167646 /nfs/dbraw/zinc/16/76/46/960167646.db2.gz BIYCPZXRULPHFR-YPMHNXCESA-N 1 0 323.349 0.116 20 5 DCBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)C1 ZINC001472573005 1016829550 /nfs/dbraw/zinc/82/95/50/1016829550.db2.gz ZKFRSGZBCXDNAZ-AWEZNQCLSA-N 1 0 306.322 0.863 20 5 DCBDRO CCO[C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)C[NH+](C)C ZINC001537722264 1012404274 /nfs/dbraw/zinc/40/42/74/1012404274.db2.gz URZJUXGPMBWZLR-LBPRGKRZSA-N 1 0 313.358 0.264 20 5 DCBDRO CN(C)c1cc[nH+]c(CNC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC001538058839 1012411965 /nfs/dbraw/zinc/41/19/65/1012411965.db2.gz BMLNMAVKRYFHBU-UHFFFAOYSA-N 1 0 304.310 0.569 20 5 DCBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1 ZINC001560230873 1012443822 /nfs/dbraw/zinc/44/38/22/1012443822.db2.gz ISJAAYASRHKUJM-OLZOCXBDSA-N 1 0 310.350 0.896 20 5 DCBDRO CCNC(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001560921580 1012461114 /nfs/dbraw/zinc/46/11/14/1012461114.db2.gz QNFOKFIQZXIDHY-UHFFFAOYSA-N 1 0 307.354 0.684 20 5 DCBDRO Cn1cc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)nn1 ZINC001560916897 1012461249 /nfs/dbraw/zinc/46/12/49/1012461249.db2.gz YHXBFUPPPVZHFP-UHFFFAOYSA-N 1 0 317.353 0.877 20 5 DCBDRO Nc1ncc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001544953602 1012551490 /nfs/dbraw/zinc/55/14/90/1012551490.db2.gz WVGFTHYAVRDOQY-VIFPVBQESA-N 1 0 305.338 0.786 20 5 DCBDRO COC[C@](C)(CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001460617312 1012947290 /nfs/dbraw/zinc/94/72/90/1012947290.db2.gz JFOIACLLGSIBAU-AWEZNQCLSA-N 1 0 311.338 0.545 20 5 DCBDRO NC(=O)C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001460706378 1012957242 /nfs/dbraw/zinc/95/72/42/1012957242.db2.gz FKJCZLINGPUTMK-AWEZNQCLSA-N 1 0 323.349 0.595 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001519608267 1017220321 /nfs/dbraw/zinc/22/03/21/1017220321.db2.gz YQVAXUWVEYBPMD-LBPRGKRZSA-N 1 0 308.386 0.904 20 5 DCBDRO Cc1ccnc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001498546868 1019215754 /nfs/dbraw/zinc/21/57/54/1019215754.db2.gz ZTPQQDPCUFGQDL-VXGBXAGGSA-N 1 0 307.354 0.388 20 5 DCBDRO COc1c(O)ccc(C[NH2+][C@@H](CO)Cc2cn[nH]n2)c1[N+](=O)[O-] ZINC001577037323 1126215035 /nfs/dbraw/zinc/21/50/35/1126215035.db2.gz GUNLKKJISQHYGH-SNVBAGLBSA-N 1 0 323.309 0.120 20 5 DCBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173813098 198255752 /nfs/dbraw/zinc/25/57/52/198255752.db2.gz KAUFWLWTFFPLEJ-GFCCVEGCSA-N 1 0 309.370 0.982 20 5 DCBDRO CN(CC[NH+](C)C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000180076540 199115093 /nfs/dbraw/zinc/11/50/93/199115093.db2.gz RMUBYPVTDOKQLV-UHFFFAOYSA-N 1 0 315.395 0.961 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000180892315 199224091 /nfs/dbraw/zinc/22/40/91/199224091.db2.gz YORDMGALCFMMQF-UHFFFAOYSA-N 1 0 321.381 0.496 20 5 DCBDRO Cc1cccc(C(=O)NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000281049143 216044932 /nfs/dbraw/zinc/04/49/32/216044932.db2.gz HSKAYLZYEOJJTR-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO C[C@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C(N)=O)C1 ZINC000187407692 237344846 /nfs/dbraw/zinc/34/48/46/237344846.db2.gz KTOIXBTUWIMWIP-JQWIXIFHSA-N 1 0 308.338 0.342 20 5 DCBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159779671 291236579 /nfs/dbraw/zinc/23/65/79/291236579.db2.gz AJMNZEWNAXKGDK-ZDUSSCGKSA-N 1 0 322.365 0.605 20 5 DCBDRO C[N@H+](CC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCSC1 ZINC000159755708 291236415 /nfs/dbraw/zinc/23/64/15/291236415.db2.gz MKHXSGARVXDSHU-JTQLQIEISA-N 1 0 313.383 0.345 20 5 DCBDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000321662014 291257906 /nfs/dbraw/zinc/25/79/06/291257906.db2.gz QYXALIOMTAJCIS-AAEUAGOBSA-N 1 0 319.365 0.636 20 5 DCBDRO COc1cccc(C(=O)NC[C@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000566615267 291314676 /nfs/dbraw/zinc/31/46/76/291314676.db2.gz HOIZSFWFZXNREQ-SNVBAGLBSA-N 1 0 308.338 0.237 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@@H](C)C1 ZINC000420329951 240021543 /nfs/dbraw/zinc/02/15/43/240021543.db2.gz ASSQKWXTPHIKNX-JTQLQIEISA-N 1 0 308.338 0.836 20 5 DCBDRO [NH3+][C@@H](CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420426882 240028165 /nfs/dbraw/zinc/02/81/65/240028165.db2.gz QTJCWQNGIOMOFS-LBPRGKRZSA-N 1 0 313.379 0.794 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000420435037 240028570 /nfs/dbraw/zinc/02/85/70/240028570.db2.gz LQMRCQZYQCDASH-ZYHUDNBSSA-N 1 0 313.379 0.746 20 5 DCBDRO COC(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1 ZINC000423666910 240235339 /nfs/dbraw/zinc/23/53/39/240235339.db2.gz NDKFELXIDCDWDW-GDNZZTSVSA-N 1 0 305.290 0.329 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000424081159 240252924 /nfs/dbraw/zinc/25/29/24/240252924.db2.gz WINKAOQTFOYPER-NHCYSSNCSA-N 1 0 309.370 0.932 20 5 DCBDRO [NH3+]C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430934522 240411713 /nfs/dbraw/zinc/41/17/13/240411713.db2.gz MZKBDLSLMZKUQA-LLVKDONJSA-N 1 0 304.350 0.765 20 5 DCBDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000567725651 291373089 /nfs/dbraw/zinc/37/30/89/291373089.db2.gz DJZLWUATDTWXIA-GYSYKLTISA-N 1 0 309.370 0.367 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264789315 204155802 /nfs/dbraw/zinc/15/58/02/204155802.db2.gz UCXXSCOUYUYVFZ-PXTSUWAFSA-N 1 0 318.377 0.970 20 5 DCBDRO COC[C@](C)([NH3+])CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000265050979 204365852 /nfs/dbraw/zinc/36/58/52/204365852.db2.gz PSSUUFOVWFRWCF-LLVKDONJSA-N 1 0 318.355 0.018 20 5 DCBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000574986652 335014935 /nfs/dbraw/zinc/01/49/35/335014935.db2.gz UEKRHJKVEODKNB-AWEZNQCLSA-N 1 0 304.306 0.769 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000274766392 211913047 /nfs/dbraw/zinc/91/30/47/211913047.db2.gz IZHHLCPLWWIQMS-NSHDSACASA-N 1 0 313.741 0.977 20 5 DCBDRO COc1cc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1O ZINC000573677094 291647910 /nfs/dbraw/zinc/64/79/10/291647910.db2.gz SIFMSKXYDKENOF-GFCCVEGCSA-N 1 0 322.321 0.656 20 5 DCBDRO O=[N+]([O-])c1c(N2CCN([C@H]3CC[NH2+]C3)CC2)nc2sccn21 ZINC000262491896 285077718 /nfs/dbraw/zinc/07/77/18/285077718.db2.gz LBHLMEGHWPQQRQ-JTQLQIEISA-N 1 0 322.394 0.788 20 5 DCBDRO [NH3+]CC1CCC(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000343605507 253672710 /nfs/dbraw/zinc/67/27/10/253672710.db2.gz HYZFDYNQXPEXEM-UHFFFAOYSA-N 1 0 322.365 0.638 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCCCCC[NH+]1CCCCC1 ZINC000347124118 254131875 /nfs/dbraw/zinc/13/18/75/254131875.db2.gz IXYCVWVBONEIDY-UHFFFAOYSA-N 1 0 324.385 0.959 20 5 DCBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000348188810 254225775 /nfs/dbraw/zinc/22/57/75/254225775.db2.gz VZSKCAKINHHDHF-RYUDHWBXSA-N 1 0 308.338 0.261 20 5 DCBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc1 ZINC000350781907 254325734 /nfs/dbraw/zinc/32/57/34/254325734.db2.gz RFTGVBPCGLYCRH-LBPRGKRZSA-N 1 0 300.336 0.498 20 5 DCBDRO C[N@H+](CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000351497448 254339757 /nfs/dbraw/zinc/33/97/57/254339757.db2.gz WJKMFPHYZPHPPZ-UHFFFAOYSA-N 1 0 324.312 0.883 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000330903328 533605656 /nfs/dbraw/zinc/60/56/56/533605656.db2.gz LPDAHGZWZLJISH-MNOVXSKESA-N 1 0 308.338 0.355 20 5 DCBDRO C[C@H](CO)N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000284377783 131075049 /nfs/dbraw/zinc/07/50/49/131075049.db2.gz FIWSGCMDFQVNLK-MRVPVSSYSA-N 1 0 311.294 0.575 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292245041 131635724 /nfs/dbraw/zinc/63/57/24/131635724.db2.gz OMECNYPGPCEFGT-CQSZACIVSA-N 1 0 307.354 0.654 20 5 DCBDRO COc1cc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000122365660 132164962 /nfs/dbraw/zinc/16/49/62/132164962.db2.gz KYLNLWNROYGCDO-SECBINFHSA-N 1 0 315.351 0.715 20 5 DCBDRO CC[NH+]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000026711281 395694481 /nfs/dbraw/zinc/69/44/81/395694481.db2.gz BPPUHBSZZDTJDW-AWEZNQCLSA-N 1 0 309.366 0.972 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195259703 395823329 /nfs/dbraw/zinc/82/33/29/395823329.db2.gz YDDRTSWVPYTTOG-PHIMTYICSA-N 1 0 304.350 0.952 20 5 DCBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000108890284 395794587 /nfs/dbraw/zinc/79/45/87/395794587.db2.gz VJBQRHRMBSIGRD-VIFPVBQESA-N 1 0 306.322 0.910 20 5 DCBDRO O=C(C[NH2+]C1CC1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238158221 395922508 /nfs/dbraw/zinc/92/25/08/395922508.db2.gz KTIVZAZJFSBTSP-UHFFFAOYSA-N 1 0 304.350 0.995 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC([NH+](C)C)C1 ZINC000135638671 395941883 /nfs/dbraw/zinc/94/18/83/395941883.db2.gz GNXCRIKMXVUZRE-JTQLQIEISA-N 1 0 320.349 0.486 20 5 DCBDRO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@H]1C ZINC000058231461 395951504 /nfs/dbraw/zinc/95/15/04/395951504.db2.gz JJQMFCIGMRRLEM-MNOVXSKESA-N 1 0 310.358 0.565 20 5 DCBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000246578288 395953442 /nfs/dbraw/zinc/95/34/42/395953442.db2.gz CGIIPCOTCIJTRW-NWDGAFQWSA-N 1 0 307.354 0.734 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000274780649 395976122 /nfs/dbraw/zinc/97/61/22/395976122.db2.gz LIVKLBFVVHXUIW-VIFPVBQESA-N 1 0 305.294 0.271 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000247523485 395976210 /nfs/dbraw/zinc/97/62/10/395976210.db2.gz NQMXFXIBJLVZKU-TZMCWYRMSA-N 1 0 309.370 0.322 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000248335019 395984149 /nfs/dbraw/zinc/98/41/49/395984149.db2.gz GJXIXYZNWXHJFI-GXTWGEPZSA-N 1 0 309.370 0.322 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261678107 396055549 /nfs/dbraw/zinc/05/55/49/396055549.db2.gz DCDAWZLFGFZNGY-UHFFFAOYSA-N 1 0 307.354 0.784 20 5 DCBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261686903 396055923 /nfs/dbraw/zinc/05/59/23/396055923.db2.gz MWOQIBIXNCVISU-LLVKDONJSA-N 1 0 310.379 0.776 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)c2ccccc2)c1 ZINC000170846602 396098689 /nfs/dbraw/zinc/09/86/89/396098689.db2.gz IRSUXFVOQQVUNL-ZIAGYGMSSA-N 1 0 306.322 0.475 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071397238 396113751 /nfs/dbraw/zinc/11/37/51/396113751.db2.gz GGIRRXUTLDJHQB-SECBINFHSA-N 1 0 315.351 0.634 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261968911 396085073 /nfs/dbraw/zinc/08/50/73/396085073.db2.gz YRAWSTNHEBFMTG-GFCCVEGCSA-N 1 0 322.340 0.854 20 5 DCBDRO Cc1nn(CCC(=O)NCC[C@@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000262574367 396157636 /nfs/dbraw/zinc/15/76/36/396157636.db2.gz HREZSEMGBHLOMS-LBPRGKRZSA-N 1 0 309.370 0.914 20 5 DCBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000074140158 396159191 /nfs/dbraw/zinc/15/91/91/396159191.db2.gz NYLFWUXUOAHSAX-LBPRGKRZSA-N 1 0 306.366 0.961 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000264188753 396260775 /nfs/dbraw/zinc/26/07/75/396260775.db2.gz NXCYGJJDJOERQH-UHFFFAOYSA-N 1 0 313.358 0.136 20 5 DCBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282342957 396282494 /nfs/dbraw/zinc/28/24/94/396282494.db2.gz MHXGWDBPKSPYBT-WCQYABFASA-N 1 0 323.349 0.545 20 5 DCBDRO COC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000280708661 396215692 /nfs/dbraw/zinc/21/56/92/396215692.db2.gz JATRATXZLTVHSA-ZYHUDNBSSA-N 1 0 309.322 0.497 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264495260 396285597 /nfs/dbraw/zinc/28/55/97/396285597.db2.gz YWPVAHFCNGUZJL-ZDUSSCGKSA-N 1 0 320.393 0.889 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000080891137 396287205 /nfs/dbraw/zinc/28/72/05/396287205.db2.gz MDZYFRYJQUGDIX-UHFFFAOYSA-N 1 0 322.365 0.580 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372361603 396511143 /nfs/dbraw/zinc/51/11/43/396511143.db2.gz RJWNHDZUUYUWCJ-HNNXBMFYSA-N 1 0 318.377 0.643 20 5 DCBDRO [NH3+]CCCn1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594643521 396492047 /nfs/dbraw/zinc/49/20/47/396492047.db2.gz FPLSAVZDVMYYIZ-UHFFFAOYSA-N 1 0 319.325 0.857 20 5 DCBDRO O=[N+]([O-])c1cc(O)ccc1-n1cc(CN2CC[NH2+]CC2)nn1 ZINC000594651311 396493763 /nfs/dbraw/zinc/49/37/63/396493763.db2.gz BOECCQXPUZPPRT-UHFFFAOYSA-N 1 0 304.310 0.286 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000595101823 396548541 /nfs/dbraw/zinc/54/85/41/396548541.db2.gz GDYNNUKYDJUEHY-PSASIEDQSA-N 1 0 300.340 0.348 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595103217 396548594 /nfs/dbraw/zinc/54/85/94/396548594.db2.gz XITZKJQFPCFSDN-VIFPVBQESA-N 1 0 300.340 0.220 20 5 DCBDRO C[NH2+]C[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000595118423 396551230 /nfs/dbraw/zinc/55/12/30/396551230.db2.gz ADPBRBCWIAOSNC-JTQLQIEISA-N 1 0 301.368 0.665 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000581548881 396564377 /nfs/dbraw/zinc/56/43/77/396564377.db2.gz ZDXJHWILOUAYKD-WCQYABFASA-N 1 0 324.337 0.186 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C2CC2)O1 ZINC000373430555 396590854 /nfs/dbraw/zinc/59/08/54/396590854.db2.gz HHTVNTPLAFSZFA-HONMWMINSA-N 1 0 310.354 0.652 20 5 DCBDRO COCC1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCOCC1 ZINC000595501023 396618114 /nfs/dbraw/zinc/61/81/14/396618114.db2.gz QUEGFKZGBGUPOX-UHFFFAOYSA-N 1 0 311.338 0.542 20 5 DCBDRO O=C1CCCC12CC[NH+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595806985 396664995 /nfs/dbraw/zinc/66/49/95/396664995.db2.gz NYGQURFQHUALRG-CYBMUJFWSA-N 1 0 322.365 0.987 20 5 DCBDRO C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294312291 396667345 /nfs/dbraw/zinc/66/73/45/396667345.db2.gz NYGRZNRTBBNENQ-SECBINFHSA-N 1 0 316.383 0.719 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860066 396695796 /nfs/dbraw/zinc/69/57/96/396695796.db2.gz CIPDAIOHXNHRRZ-GHMZBOCLSA-N 1 0 320.349 0.458 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596099729 396717531 /nfs/dbraw/zinc/71/75/31/396717531.db2.gz WFSMBRKGCFCCGO-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO O=c1[nH]ccc(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000596111722 396718225 /nfs/dbraw/zinc/71/82/25/396718225.db2.gz BQBGZQOUOMGILC-CMPLNLGQSA-N 1 0 308.338 0.731 20 5 DCBDRO COc1ncccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000314493737 396781117 /nfs/dbraw/zinc/78/11/17/396781117.db2.gz RWFCDLLDOXEJDT-LBPRGKRZSA-N 1 0 307.310 0.346 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000304309254 396729902 /nfs/dbraw/zinc/72/99/02/396729902.db2.gz JWAZYNPMLQMEAR-HZSPNIEDSA-N 1 0 310.354 0.796 20 5 DCBDRO C[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@@H+]1CC(C)(C)O ZINC000596222836 396736355 /nfs/dbraw/zinc/73/63/55/396736355.db2.gz NMUPFRHZVKYTEL-JTQLQIEISA-N 1 0 309.370 0.853 20 5 DCBDRO COc1cc(C(=O)N[C@@H](CO)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000590369818 396762597 /nfs/dbraw/zinc/76/25/97/396762597.db2.gz OCRZRENANCHIGE-LLVKDONJSA-N 1 0 311.338 0.564 20 5 DCBDRO CNC(=O)C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564444358 396835109 /nfs/dbraw/zinc/83/51/09/396835109.db2.gz RNDBLMROEFRUCH-QWRGUYRKSA-N 1 0 311.338 0.449 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591351663 396905869 /nfs/dbraw/zinc/90/58/69/396905869.db2.gz KLOAGJHDZUXTQJ-LLVKDONJSA-N 1 0 308.338 0.977 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000591376812 396913262 /nfs/dbraw/zinc/91/32/62/396913262.db2.gz RXTKSOLHNXDUHA-NSHDSACASA-N 1 0 322.365 0.497 20 5 DCBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COCCN1 ZINC000600679091 396915678 /nfs/dbraw/zinc/91/56/78/396915678.db2.gz ZIIDPZGBCBGABM-WCQYABFASA-N 1 0 322.365 0.890 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2COCCN2)n1 ZINC000600708765 396925893 /nfs/dbraw/zinc/92/58/93/396925893.db2.gz FTPBILCTLULHIW-YNEHKIRRSA-N 1 0 309.370 0.853 20 5 DCBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000611921589 396947219 /nfs/dbraw/zinc/94/72/19/396947219.db2.gz CFAUEHVDLLXIAS-OCAPTIKFSA-N 1 0 317.392 0.715 20 5 DCBDRO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000600809224 396947449 /nfs/dbraw/zinc/94/74/49/396947449.db2.gz WSNVMSWQAQZVEU-VIFPVBQESA-N 1 0 311.342 0.238 20 5 DCBDRO CC[NH2+]CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000571420205 396949419 /nfs/dbraw/zinc/94/94/19/396949419.db2.gz IELWGLRDASTRLE-UHFFFAOYSA-N 1 0 322.369 0.431 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[NH2+]CCC1(F)F ZINC000591686719 396977048 /nfs/dbraw/zinc/97/70/48/396977048.db2.gz RPOLLSGDAUPHMK-VIFPVBQESA-N 1 0 303.269 0.152 20 5 DCBDRO Cc1nn(CCC(=O)N2CC(C[NH+](C)C)C2)c(C)c1[N+](=O)[O-] ZINC000597708842 397071352 /nfs/dbraw/zinc/07/13/52/397071352.db2.gz PPPZSHFXLWSMPE-UHFFFAOYSA-N 1 0 309.370 0.818 20 5 DCBDRO COc1cccc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308907 397149500 /nfs/dbraw/zinc/14/95/00/397149500.db2.gz OUQDJLYBBYHFAM-JOYOIKCWSA-N 1 0 309.322 0.792 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592308005 397149838 /nfs/dbraw/zinc/14/98/38/397149838.db2.gz LHAWWRTXXAJJCJ-RNCFNFMXSA-N 1 0 309.322 0.792 20 5 DCBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000592366804 397161127 /nfs/dbraw/zinc/16/11/27/397161127.db2.gz JJOKVQVHODBRGB-LLVKDONJSA-N 1 0 313.379 0.748 20 5 DCBDRO CC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592367007 397161152 /nfs/dbraw/zinc/16/11/52/397161152.db2.gz KLNDNYODITWXQP-UHFFFAOYSA-N 1 0 303.340 0.491 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000592379950 397163376 /nfs/dbraw/zinc/16/33/76/397163376.db2.gz BTBOQOKDFOUBJU-RKDXNWHRSA-N 1 0 300.340 0.538 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C)CC[NH3+] ZINC000592381646 397163775 /nfs/dbraw/zinc/16/37/75/397163775.db2.gz IFIXKBPLXWIRGR-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601557288 397176058 /nfs/dbraw/zinc/17/60/58/397176058.db2.gz NLWPQRIDYVFORL-DGCLKSJQSA-N 1 0 307.354 0.782 20 5 DCBDRO COc1cccc(C(=O)N(C)CCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000592468640 397184376 /nfs/dbraw/zinc/18/43/76/397184376.db2.gz CTUOOTJWSCMTFB-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO CN(CCC[NH3+])C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000592471421 397185829 /nfs/dbraw/zinc/18/58/29/397185829.db2.gz CJTIUHXVUHSPSJ-UHFFFAOYSA-N 1 0 323.353 0.201 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592475181 397187251 /nfs/dbraw/zinc/18/72/51/397187251.db2.gz ZVNFXNMZTSICNH-COPLHBTASA-N 1 0 322.365 0.970 20 5 DCBDRO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@@H]1[NH3+] ZINC000592545786 397207492 /nfs/dbraw/zinc/20/74/92/397207492.db2.gz WRUZRNVOYVFYFY-JQWIXIFHSA-N 1 0 308.338 0.342 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592547688 397207665 /nfs/dbraw/zinc/20/76/65/397207665.db2.gz JVYFYGGYTCVZLZ-CYBMUJFWSA-N 1 0 321.333 0.501 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592555646 397212763 /nfs/dbraw/zinc/21/27/63/397212763.db2.gz YMANBGHVFYUGQR-CYBMUJFWSA-N 1 0 321.333 0.501 20 5 DCBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000574029331 397229322 /nfs/dbraw/zinc/22/93/22/397229322.db2.gz VFJOETPVZRCEIN-LBPRGKRZSA-N 1 0 307.354 0.878 20 5 DCBDRO C[NH2+]C1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CCC1 ZINC000598633047 397265709 /nfs/dbraw/zinc/26/57/09/397265709.db2.gz IYMZXNWRYVAABL-UHFFFAOYSA-N 1 0 314.367 0.796 20 5 DCBDRO CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000598663602 397270362 /nfs/dbraw/zinc/27/03/62/397270362.db2.gz DXTYFKJULRZGPE-GFCCVEGCSA-N 1 0 321.337 0.537 20 5 DCBDRO [NH3+][C@]12CCC[C@H]1CN(S(=O)(=O)c1cccnc1[N+](=O)[O-])C2 ZINC000598725002 397285107 /nfs/dbraw/zinc/28/51/07/397285107.db2.gz MZTUWCYWLAPEFJ-CABZTGNLSA-N 1 0 312.351 0.492 20 5 DCBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914105 397306571 /nfs/dbraw/zinc/30/65/71/397306571.db2.gz XXKMTNQJVNXFIK-LLVKDONJSA-N 1 0 306.322 0.790 20 5 DCBDRO O=C(NCC1=CC[NH2+]CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913008 397306588 /nfs/dbraw/zinc/30/65/88/397306588.db2.gz DUONFNGCYMAZID-UHFFFAOYSA-N 1 0 304.306 0.569 20 5 DCBDRO CN1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C[NH3+])C1 ZINC000598913884 397306708 /nfs/dbraw/zinc/30/67/08/397306708.db2.gz RHMVWSKFPOQNQE-JTQLQIEISA-N 1 0 311.317 0.841 20 5 DCBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598916490 397307683 /nfs/dbraw/zinc/30/76/83/397307683.db2.gz ZVHMAPJLWSVKIU-ZJUUUORDSA-N 1 0 306.322 0.872 20 5 DCBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598916487 397307856 /nfs/dbraw/zinc/30/78/56/397307856.db2.gz ZVHMAPJLWSVKIU-UWVGGRQHSA-N 1 0 306.322 0.872 20 5 DCBDRO Nc1nc(N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc(N)[nH+]1 ZINC000599067088 397330088 /nfs/dbraw/zinc/33/00/88/397330088.db2.gz ZZJSRSBFHLOBJH-UHFFFAOYSA-N 1 0 301.310 0.774 20 5 DCBDRO O=C(CC[NH2+]C[C@H](O)[C@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000578323430 397420594 /nfs/dbraw/zinc/42/05/94/397420594.db2.gz IJSAZBFRJTYPFB-FZMZJTMJSA-N 1 0 323.349 0.910 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@@H](N)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000593901680 397472548 /nfs/dbraw/zinc/47/25/48/397472548.db2.gz GHJLYWBNSXGRIK-LBPRGKRZSA-N 1 0 324.337 0.599 20 5 DCBDRO O=C1C[C@@H]([NH2+]C2CCOCC2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000593921262 397480808 /nfs/dbraw/zinc/48/08/08/397480808.db2.gz UAUJJGUOSFJLMW-CYBMUJFWSA-N 1 0 319.317 0.995 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000600000425 397559864 /nfs/dbraw/zinc/55/98/64/397559864.db2.gz WCOVLVJQTRYUCJ-JYAVWHMHSA-N 1 0 321.381 0.817 20 5 DCBDRO C[C@@H]1[NH2+]CCC[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000579454773 397568939 /nfs/dbraw/zinc/56/89/39/397568939.db2.gz YRDRJFZBKNNXLZ-IUCAKERBSA-N 1 0 300.340 0.409 20 5 DCBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000579470479 397572502 /nfs/dbraw/zinc/57/25/02/397572502.db2.gz KBUVXXPRFRDIQM-CQSZACIVSA-N 1 0 304.306 0.769 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(N2CCOCC2)CC1 ZINC000602899965 397517507 /nfs/dbraw/zinc/51/75/07/397517507.db2.gz VMLKALCPPGQMBS-UHFFFAOYSA-N 1 0 323.397 0.896 20 5 DCBDRO C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000599909752 397538498 /nfs/dbraw/zinc/53/84/98/397538498.db2.gz ZEJOVLRYBMJOOX-CMPLNLGQSA-N 1 0 308.338 0.943 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000579705554 397588826 /nfs/dbraw/zinc/58/88/26/397588826.db2.gz POLSMFSZBAMLOE-IACUBPJLSA-N 1 0 310.354 0.699 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000610336520 397814675 /nfs/dbraw/zinc/81/46/75/397814675.db2.gz VCSOJKQIBAZLQL-JSGCOSHPSA-N 1 0 320.353 0.686 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000610336522 397814969 /nfs/dbraw/zinc/81/49/69/397814969.db2.gz VCSOJKQIBAZLQL-TZMCWYRMSA-N 1 0 320.353 0.686 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](C3CCC3)CC2)c1 ZINC000610369605 397817086 /nfs/dbraw/zinc/81/70/86/397817086.db2.gz ZPVZVDVHKAQJQP-AWEZNQCLSA-N 1 0 309.370 0.322 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@H]2CCOC2)c1 ZINC000088694842 158094928 /nfs/dbraw/zinc/09/49/28/158094928.db2.gz DGBLPDCSNHVPCK-JTQLQIEISA-N 1 0 315.351 0.252 20 5 DCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000165639194 158365157 /nfs/dbraw/zinc/36/51/57/158365157.db2.gz VUCVMVSVOJHLNW-QMMMGPOBSA-N 1 0 319.314 0.082 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000194731388 158599771 /nfs/dbraw/zinc/59/97/71/158599771.db2.gz WBGIOEVVGBGDBP-SNVBAGLBSA-N 1 0 315.351 0.619 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262464514 158815846 /nfs/dbraw/zinc/81/58/46/158815846.db2.gz IUXSADGWWOBREX-CQSZACIVSA-N 1 0 304.350 0.715 20 5 DCBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)C2)C1 ZINC000319399169 159008003 /nfs/dbraw/zinc/00/80/03/159008003.db2.gz DXZHCAWJEUTYRR-AWEZNQCLSA-N 1 0 305.338 0.740 20 5 DCBDRO CSC1(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC[NH+](C)CC1 ZINC000359270133 159258120 /nfs/dbraw/zinc/25/81/20/159258120.db2.gz KFNWHGUQLVCRJF-UHFFFAOYSA-N 1 0 313.383 0.875 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000362888527 159272946 /nfs/dbraw/zinc/27/29/46/159272946.db2.gz JVCOKFANGXNWEL-GXTWGEPZSA-N 1 0 320.353 0.686 20 5 DCBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)CN1CCOCC1 ZINC000357054307 287203227 /nfs/dbraw/zinc/20/32/27/287203227.db2.gz LKVFIUUZAFUAAE-JTQLQIEISA-N 1 0 311.342 0.026 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000415428449 287236264 /nfs/dbraw/zinc/23/62/64/287236264.db2.gz HIRACPFMTLRUGG-SNVBAGLBSA-N 1 0 306.322 0.662 20 5 DCBDRO [NH3+][C@@H](CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419044693 287263779 /nfs/dbraw/zinc/26/37/79/287263779.db2.gz UOFKDNYMWWRHRS-LBPRGKRZSA-N 1 0 320.349 0.107 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419046757 287263823 /nfs/dbraw/zinc/26/38/23/287263823.db2.gz YZWZZYNHSGAQGO-LBPRGKRZSA-N 1 0 322.365 0.353 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)C1C[NH2+]C1 ZINC000420309238 287288466 /nfs/dbraw/zinc/28/84/66/287288466.db2.gz DRFOHTWIPGFQEX-UHFFFAOYSA-N 1 0 308.338 0.836 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199133 415174580 /nfs/dbraw/zinc/17/45/80/415174580.db2.gz ODXDIJWHMHBZGG-GWCFXTLKSA-N 1 0 307.354 0.780 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000268248077 415181702 /nfs/dbraw/zinc/18/17/02/415181702.db2.gz WKMVYUJICMHWPW-UFBFGSQYSA-N 1 0 306.322 0.908 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000273044721 415299231 /nfs/dbraw/zinc/29/92/31/415299231.db2.gz PUCUWUSLPNNZLO-GHMZBOCLSA-N 1 0 320.349 0.439 20 5 DCBDRO COc1ccc(NC(=O)[C@H](C)N(C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000353202701 415474000 /nfs/dbraw/zinc/47/40/00/415474000.db2.gz LXWHMWPRTPDUGC-VIFPVBQESA-N 1 0 324.337 0.738 20 5 DCBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000343574411 415646676 /nfs/dbraw/zinc/64/66/76/415646676.db2.gz QKYCZNLRXIJEGT-LBPRGKRZSA-N 1 0 322.365 0.747 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106815691 415649400 /nfs/dbraw/zinc/64/94/00/415649400.db2.gz GARBOJKCVHJEGS-NSHDSACASA-N 1 0 321.381 0.664 20 5 DCBDRO CCC[C@@]1(CO)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127287 415845628 /nfs/dbraw/zinc/84/56/28/415845628.db2.gz JMKGCHUECBDCEW-ZIAGYGMSSA-N 1 0 312.370 0.637 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000290261436 415782710 /nfs/dbraw/zinc/78/27/10/415782710.db2.gz XNRVDVIVDWDGNV-GFCCVEGCSA-N 1 0 307.354 0.639 20 5 DCBDRO Cc1c(CC(=O)NC[C@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000153111692 415975650 /nfs/dbraw/zinc/97/56/50/415975650.db2.gz RKIZGLTUOJZIQU-HNNXBMFYSA-N 1 0 309.366 0.875 20 5 DCBDRO CN(C)C(=O)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298078581 415991466 /nfs/dbraw/zinc/99/14/66/415991466.db2.gz IAAXGFFTURBJOT-UHFFFAOYSA-N 1 0 308.338 0.943 20 5 DCBDRO COC(=O)CNC(=O)c1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000298202162 415995612 /nfs/dbraw/zinc/99/56/12/415995612.db2.gz WEERFTARTWJAMX-UHFFFAOYSA-N 1 0 324.337 0.471 20 5 DCBDRO COC[C@]1(C(=O)OC)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000296505052 415931339 /nfs/dbraw/zinc/93/13/39/415931339.db2.gz ZLRBIMFNODQPNE-ZDUSSCGKSA-N 1 0 312.326 0.303 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000345433400 416095713 /nfs/dbraw/zinc/09/57/13/416095713.db2.gz FVUUYQZYOLZJPM-SNVBAGLBSA-N 1 0 310.358 0.074 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000358131520 416197201 /nfs/dbraw/zinc/19/72/01/416197201.db2.gz BOPQNILTPDIBAP-LBPRGKRZSA-N 1 0 308.338 0.501 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(OCCO)CC1 ZINC000341754906 416231374 /nfs/dbraw/zinc/23/13/74/416231374.db2.gz NPOFFRKRMXEITR-UHFFFAOYSA-N 1 0 311.338 0.230 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000342046827 416272586 /nfs/dbraw/zinc/27/25/86/416272586.db2.gz KOIJAQILIDXZOS-MGPQQGTHSA-N 1 0 310.354 0.796 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359308285 416320734 /nfs/dbraw/zinc/32/07/34/416320734.db2.gz PJPLTBIJMITEMT-TXEJJXNPSA-N 1 0 304.350 0.993 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359325635 416341729 /nfs/dbraw/zinc/34/17/29/416341729.db2.gz VNVRHWPGEKKIPZ-GHMZBOCLSA-N 1 0 320.349 0.693 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415419479 416342198 /nfs/dbraw/zinc/34/21/98/416342198.db2.gz QHLIPFIVURSAFX-VIFPVBQESA-N 1 0 308.338 0.956 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415507239 416345578 /nfs/dbraw/zinc/34/55/78/416345578.db2.gz SSBIASRPSTZYBB-NSHDSACASA-N 1 0 323.353 0.629 20 5 DCBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415626799 416350209 /nfs/dbraw/zinc/35/02/09/416350209.db2.gz RIGFOTZRIXDFED-QPUJVOFHSA-N 1 0 324.312 0.787 20 5 DCBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415662396 416350641 /nfs/dbraw/zinc/35/06/41/416350641.db2.gz BSYLXCXPBIGTMH-CABZTGNLSA-N 1 0 306.322 0.790 20 5 DCBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415859061 416356401 /nfs/dbraw/zinc/35/64/01/416356401.db2.gz ACJMRMMTTJRCCQ-SNVBAGLBSA-N 1 0 324.312 0.931 20 5 DCBDRO Cc1c(C(=O)NC[C@@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000194849622 416324911 /nfs/dbraw/zinc/32/49/11/416324911.db2.gz VOHHXWSIWCWWRN-MRVPVSSYSA-N 1 0 304.310 0.561 20 5 DCBDRO O=C([C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237950094 416329321 /nfs/dbraw/zinc/32/93/21/416329321.db2.gz MOUQSVYDZSPZKK-GFCCVEGCSA-N 1 0 304.350 0.853 20 5 DCBDRO COCCOc1cc([N+](=O)[O-])c(C(=O)NCC[NH3+])cc1OC ZINC000428775738 287331064 /nfs/dbraw/zinc/33/10/64/287331064.db2.gz CNHJQRSYDOINBU-UHFFFAOYSA-N 1 0 313.310 0.317 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000420437994 416418541 /nfs/dbraw/zinc/41/85/41/416418541.db2.gz QQVXNRMXZNIELJ-GXFFZTMASA-N 1 0 313.379 0.746 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000423678167 416540578 /nfs/dbraw/zinc/54/05/78/416540578.db2.gz KPPMPQHNSTVCPV-ZJUUUORDSA-N 1 0 308.338 0.485 20 5 DCBDRO CC1(C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[NH2+]C1 ZINC000423417998 416507170 /nfs/dbraw/zinc/50/71/70/416507170.db2.gz TXWBMDPGFNGCRM-SNVBAGLBSA-N 1 0 305.338 0.612 20 5 DCBDRO C[C@@H]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C[NH3+] ZINC000424077531 416609220 /nfs/dbraw/zinc/60/92/20/416609220.db2.gz RMBVLYHUUGQKPX-GRYCIOLGSA-N 1 0 322.365 0.588 20 5 DCBDRO C[C@@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000423899505 416583850 /nfs/dbraw/zinc/58/38/50/416583850.db2.gz JIWYYUCITFLJIS-NSHDSACASA-N 1 0 309.370 0.933 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CCC[N@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000610485195 416656519 /nfs/dbraw/zinc/65/65/19/416656519.db2.gz DNPNAVMJCWBRCZ-AWEZNQCLSA-N 1 0 323.397 0.978 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000514605730 416665970 /nfs/dbraw/zinc/66/59/70/416665970.db2.gz UJULDCPDDOURAZ-LLVKDONJSA-N 1 0 322.365 0.761 20 5 DCBDRO CC[C@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000515055912 416688002 /nfs/dbraw/zinc/68/80/02/416688002.db2.gz VKQDWRDYFCZBJM-NSHDSACASA-N 1 0 302.352 0.729 20 5 DCBDRO CNC(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515055738 416688196 /nfs/dbraw/zinc/68/81/96/416688196.db2.gz ZPEWACNPKNHQHO-PWSUYJOCSA-N 1 0 311.338 0.449 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000551896274 416697171 /nfs/dbraw/zinc/69/71/71/416697171.db2.gz IMMJVHPXJAUOLK-PWSUYJOCSA-N 1 0 319.365 1.198 20 5 DCBDRO CC(C)[NH2+]CCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000557265142 416731139 /nfs/dbraw/zinc/73/11/39/416731139.db2.gz LBHGFOXIAHYLAC-UHFFFAOYSA-N 1 0 322.365 0.715 20 5 DCBDRO CN(CCC[NH3+])C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000517246764 416793314 /nfs/dbraw/zinc/79/33/14/416793314.db2.gz IEEPNKCPFLHWTM-UHFFFAOYSA-N 1 0 308.338 0.061 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000369825861 416834810 /nfs/dbraw/zinc/83/48/10/416834810.db2.gz LSYPDWQZSSNVKJ-DZGCQCFKSA-N 1 0 323.397 0.712 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000429190526 416953600 /nfs/dbraw/zinc/95/36/00/416953600.db2.gz NZWZCIMILLIMSJ-LBPRGKRZSA-N 1 0 318.337 0.889 20 5 DCBDRO CCn1cc(S(=O)(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])n1 ZINC000447251053 416977076 /nfs/dbraw/zinc/97/70/76/416977076.db2.gz XNBAJAUISDJNAP-RKDXNWHRSA-N 1 0 317.371 0.169 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000565430777 416977398 /nfs/dbraw/zinc/97/73/98/416977398.db2.gz GVWGIDKPUFKNMD-NSHDSACASA-N 1 0 320.353 0.183 20 5 DCBDRO CCOc1ccc(NC(=O)CN2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430618387 417050455 /nfs/dbraw/zinc/05/04/55/417050455.db2.gz TWDYRCXGPOLVOS-SNVBAGLBSA-N 1 0 308.338 0.965 20 5 DCBDRO [NH3+]C[C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920916 417083141 /nfs/dbraw/zinc/08/31/41/417083141.db2.gz WMVKHRUTKYZERV-SMDDNHRTSA-N 1 0 304.350 0.981 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000568384386 417129208 /nfs/dbraw/zinc/12/92/08/417129208.db2.gz CSECEZXKTRMPSX-KOLCDFICSA-N 1 0 319.312 0.081 20 5 DCBDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601225 417140873 /nfs/dbraw/zinc/14/08/73/417140873.db2.gz VVGUCVSBAJNUOG-JTQLQIEISA-N 1 0 316.383 0.998 20 5 DCBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000568517021 417147092 /nfs/dbraw/zinc/14/70/92/417147092.db2.gz WVBWYYYOYKTVPK-AXFHLTTASA-N 1 0 305.338 0.740 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000568981386 417199334 /nfs/dbraw/zinc/19/93/34/417199334.db2.gz RSOBCJJQEXRFET-YPMHNXCESA-N 1 0 310.354 0.796 20 5 DCBDRO NC(=O)c1cccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC000450791100 417267204 /nfs/dbraw/zinc/26/72/04/417267204.db2.gz LPXUVPIMSSKCTL-PHIMTYICSA-N 1 0 320.349 0.969 20 5 DCBDRO CCOc1ncccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569685978 417284053 /nfs/dbraw/zinc/28/40/53/417284053.db2.gz BOVRDLUIEDOEIQ-CYBMUJFWSA-N 1 0 321.337 0.736 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000433301485 417249844 /nfs/dbraw/zinc/24/98/44/417249844.db2.gz GGLWYIRUGWRRTH-STQMWFEESA-N 1 0 310.354 0.532 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000570082113 417311289 /nfs/dbraw/zinc/31/12/89/417311289.db2.gz QFFFAZAUHICJNR-LBPRGKRZSA-N 1 0 316.321 0.359 20 5 DCBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000570939349 417408222 /nfs/dbraw/zinc/40/82/22/417408222.db2.gz FJSOMFKWWPVGEW-SNVBAGLBSA-N 1 0 309.370 1.492 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451624532 417365424 /nfs/dbraw/zinc/36/54/24/417365424.db2.gz NQXRPXCZRYYQCQ-NFAWXSAZSA-N 1 0 321.377 0.970 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415389857 417377857 /nfs/dbraw/zinc/37/78/57/417377857.db2.gz ZZXJMDCVAPNZFZ-SECBINFHSA-N 1 0 322.321 0.410 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000415387628 417378610 /nfs/dbraw/zinc/37/86/10/417378610.db2.gz QTMGIBXLMVPQKL-UHFFFAOYSA-N 1 0 324.337 0.786 20 5 DCBDRO CNc1nccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000574582361 417486863 /nfs/dbraw/zinc/48/68/63/417486863.db2.gz GVKNGTHMBQFYPC-ZJUUUORDSA-N 1 0 307.354 1.244 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000576433886 417609139 /nfs/dbraw/zinc/60/91/39/417609139.db2.gz MWCMLUXWVDSEDN-RYUDHWBXSA-N 1 0 319.321 0.218 20 5 DCBDRO C[N@H+](CCCCNC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000454701139 417577220 /nfs/dbraw/zinc/57/72/20/417577220.db2.gz FTXCZUCKYXPPIA-UHFFFAOYSA-N 1 0 324.385 0.965 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](N3CCOCC3)C2)c1 ZINC000580581865 417714162 /nfs/dbraw/zinc/71/41/62/417714162.db2.gz OPTPGXKUKVYUBQ-ZDUSSCGKSA-N 1 0 309.370 0.588 20 5 DCBDRO Cc1cc(NC(=O)CC[NH2+]CCn2cc([N+](=O)[O-])cn2)no1 ZINC000581365399 417727346 /nfs/dbraw/zinc/72/73/46/417727346.db2.gz RDBUYKLGDYGACO-UHFFFAOYSA-N 1 0 308.298 0.706 20 5 DCBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000298201532 228411681 /nfs/dbraw/zinc/41/16/81/228411681.db2.gz KGSFETKNKSLJLU-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000237209763 261158714 /nfs/dbraw/zinc/15/87/14/261158714.db2.gz SCNRSGDPWBHNNH-VIFPVBQESA-N 1 0 317.367 0.737 20 5 DCBDRO CC(C)C[C@H]1COCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304315445 261173932 /nfs/dbraw/zinc/17/39/32/261173932.db2.gz ODAWVJVYDRJNBS-GXTWGEPZSA-N 1 0 312.370 0.899 20 5 DCBDRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128780 262246963 /nfs/dbraw/zinc/24/69/63/262246963.db2.gz JGBAZLFDOWGVIX-ZWNOBZJWSA-N 1 0 308.338 0.943 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000417905851 262264501 /nfs/dbraw/zinc/26/45/01/262264501.db2.gz DERZYWNCEDHVOB-CYBMUJFWSA-N 1 0 324.385 0.998 20 5 DCBDRO CC1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC000417911313 262265107 /nfs/dbraw/zinc/26/51/07/262265107.db2.gz MOKIABHPHGBFFM-UHFFFAOYSA-N 1 0 310.358 0.480 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418773344 262288847 /nfs/dbraw/zinc/28/88/47/262288847.db2.gz BXYMSEYCEBATKU-MFKMUULPSA-N 1 0 320.349 0.722 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419239517 262322617 /nfs/dbraw/zinc/32/26/17/262322617.db2.gz ALQWYCBMBPQSPE-ZJUUUORDSA-N 1 0 308.338 0.544 20 5 DCBDRO COC(=O)c1ccc(S(=O)(=O)NCCC[NH3+])cc1[N+](=O)[O-] ZINC000420406118 262373786 /nfs/dbraw/zinc/37/37/86/262373786.db2.gz PWISJHDVWZVAJG-UHFFFAOYSA-N 1 0 317.323 0.009 20 5 DCBDRO CO[C@@](C)([C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000411946993 271233938 /nfs/dbraw/zinc/23/39/38/271233938.db2.gz LWJBPQQBQHTWGV-GDLCADMTSA-N 1 0 312.370 0.945 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415433853 271238775 /nfs/dbraw/zinc/23/87/75/271238775.db2.gz MRVQJBDZCZFLRO-JTQLQIEISA-N 1 0 306.322 0.662 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N(C)[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000422836321 271388729 /nfs/dbraw/zinc/38/87/29/271388729.db2.gz RATFVKRSDGPYOK-SNVBAGLBSA-N 1 0 308.338 0.439 20 5 DCBDRO CC(C)[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000489383052 272060511 /nfs/dbraw/zinc/06/05/11/272060511.db2.gz DPIGVGUVDGCUGQ-CYBMUJFWSA-N 1 0 322.365 0.555 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000490320756 272073420 /nfs/dbraw/zinc/07/34/20/272073420.db2.gz RXXAAJJTIFWIPD-QWRGUYRKSA-N 1 0 310.358 0.573 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000492602030 272137020 /nfs/dbraw/zinc/13/70/20/272137020.db2.gz HAGKCAMBGIEBME-LQYUOIDQSA-N 1 0 305.334 0.791 20 5 DCBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000340539711 277379383 /nfs/dbraw/zinc/37/93/83/277379383.db2.gz TZEISSCVDVCAFD-UHFFFAOYSA-N 1 0 324.381 0.803 20 5 DCBDRO COc1ccc(CC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000545860967 288003099 /nfs/dbraw/zinc/00/30/99/288003099.db2.gz DXLWVQDWPMDLPO-OAHLLOKOSA-N 1 0 323.349 0.329 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000545885468 288004188 /nfs/dbraw/zinc/00/41/88/288004188.db2.gz WLYMKZHVWOIRHJ-AWEZNQCLSA-N 1 0 308.338 0.461 20 5 DCBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000347305607 279088104 /nfs/dbraw/zinc/08/81/04/279088104.db2.gz LWUZNHBNAYTIJN-YUELXQCFSA-N 1 0 323.397 0.711 20 5 DCBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@H]1CC[NH2+]C1 ZINC000565535031 288859813 /nfs/dbraw/zinc/85/98/13/288859813.db2.gz YJLDEYKHXPLMII-VIFPVBQESA-N 1 0 307.306 0.800 20 5 DCBDRO C[NH+](C)C1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000270884733 289072291 /nfs/dbraw/zinc/07/22/91/289072291.db2.gz ZFGTWOGZCQVKSC-UHFFFAOYSA-N 1 0 307.306 0.752 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](CO)CC(F)F ZINC000575181019 333231676 /nfs/dbraw/zinc/23/16/76/333231676.db2.gz MAGUTVKYCYFWFY-ZJUUUORDSA-N 1 0 320.292 0.940 20 5 DCBDRO CCOc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000583704977 337092487 /nfs/dbraw/zinc/09/24/87/337092487.db2.gz XMBOXLMUPOVANM-RYUDHWBXSA-N 1 0 320.349 0.742 20 5 DCBDRO CCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001577663461 1159264733 /nfs/dbraw/zinc/26/47/33/1159264733.db2.gz UJWCIGPRMKZAJG-VIFPVBQESA-N 1 0 317.371 0.184 20 5 DCBDRO CC1(C)C[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000582721028 337125006 /nfs/dbraw/zinc/12/50/06/337125006.db2.gz RIERNVOTXKRXQO-DGCLKSJQSA-N 1 0 312.370 0.947 20 5 DCBDRO CCn1cc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000583020353 337225744 /nfs/dbraw/zinc/22/57/44/337225744.db2.gz WBMPGPJKXOIJIL-ZWNOBZJWSA-N 1 0 308.342 0.719 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000584590352 337368937 /nfs/dbraw/zinc/36/89/37/337368937.db2.gz YSCAGEJAOCEYBE-JTQLQIEISA-N 1 0 304.310 0.643 20 5 DCBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C[NH3+])C1 ZINC000576702206 341859154 /nfs/dbraw/zinc/85/91/54/341859154.db2.gz OLLXQNZGLWFHAJ-SNVBAGLBSA-N 1 0 312.757 0.963 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000160512259 522501269 /nfs/dbraw/zinc/50/12/69/522501269.db2.gz KNVQAUVFNZJFNX-JQWIXIFHSA-N 1 0 320.349 0.533 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267398980 523781544 /nfs/dbraw/zinc/78/15/44/523781544.db2.gz JCFSJNAHLLQRDE-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000267201451 523903049 /nfs/dbraw/zinc/90/30/49/523903049.db2.gz OMJPIAQNJZBWFN-UHFFFAOYSA-N 1 0 307.354 0.154 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188434956 524621098 /nfs/dbraw/zinc/62/10/98/524621098.db2.gz AZLCQHKLROIXLX-JTQLQIEISA-N 1 0 323.353 0.061 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237621003 525233370 /nfs/dbraw/zinc/23/33/70/525233370.db2.gz CQWPKPJTHBSKKH-ONGXEEELSA-N 1 0 306.322 0.273 20 5 DCBDRO Cc1c(C(=O)N[C@H]2CC[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000127261477 525646785 /nfs/dbraw/zinc/64/67/85/525646785.db2.gz QKKLEUTWYCWCOQ-JTQLQIEISA-N 1 0 316.321 0.576 20 5 DCBDRO Cc1nn(CCC(=O)NC[C@H]2CCC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000130206289 526278171 /nfs/dbraw/zinc/27/81/71/526278171.db2.gz DDKXYGXXUBBNNT-LBPRGKRZSA-N 1 0 309.370 0.914 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCCCN1CC[NH2+]CC1 ZINC000237988419 526902255 /nfs/dbraw/zinc/90/22/55/526902255.db2.gz FAJMNEUVEYCFPZ-UHFFFAOYSA-N 1 0 321.381 0.418 20 5 DCBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000157644162 527218282 /nfs/dbraw/zinc/21/82/82/527218282.db2.gz OLUDIAGEAJGJRC-QMMMGPOBSA-N 1 0 303.315 0.703 20 5 DCBDRO [NH3+][C@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000158359458 527401008 /nfs/dbraw/zinc/40/10/08/527401008.db2.gz RYZXVIVUHHAGIA-JTQLQIEISA-N 1 0 316.321 0.739 20 5 DCBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000128864946 527651113 /nfs/dbraw/zinc/65/11/13/527651113.db2.gz AMKJTVTUYDLZHH-JTQLQIEISA-N 1 0 311.342 0.285 20 5 DCBDRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186905 528498027 /nfs/dbraw/zinc/49/80/27/528498027.db2.gz YMNJARHRCVEBMH-GXFFZTMASA-N 1 0 307.354 0.986 20 5 DCBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000340225132 536418559 /nfs/dbraw/zinc/41/85/59/536418559.db2.gz GIAMNSSONZLJLM-YPMHNXCESA-N 1 0 309.322 0.155 20 5 DCBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821241857 606719105 /nfs/dbraw/zinc/71/91/05/606719105.db2.gz PIOLKXQEWHPXRW-PSASIEDQSA-N 1 0 318.341 0.922 20 5 DCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000820778066 606803816 /nfs/dbraw/zinc/80/38/16/606803816.db2.gz UZKAZMJMXDZCBR-KCJUWKMLSA-N 1 0 318.341 0.556 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000823650770 607230049 /nfs/dbraw/zinc/23/00/49/607230049.db2.gz ADMPTEHJBBSSEA-UHFFFAOYSA-N 1 0 314.309 0.761 20 5 DCBDRO CC[N@@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C[C@@H]1C ZINC000825465787 607822091 /nfs/dbraw/zinc/82/20/91/607822091.db2.gz QPBYYAJPYAEWHB-VIFPVBQESA-N 1 0 318.341 0.700 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2CCC2)C1 ZINC001021759726 658356741 /nfs/dbraw/zinc/35/67/41/658356741.db2.gz VUICEOONFVKRAE-PHIMTYICSA-N 1 0 307.354 0.865 20 5 DCBDRO Cc1nn(CN2CC[NH+](CC(C)(C)O)CC2)c(C)c1[N+](=O)[O-] ZINC000158581654 658504405 /nfs/dbraw/zinc/50/44/05/658504405.db2.gz FRVARRCORUFDSJ-UHFFFAOYSA-N 1 0 311.386 0.754 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000725895544 659260569 /nfs/dbraw/zinc/26/05/69/659260569.db2.gz HACDOXUYLVYAGB-NXEZZACHSA-N 1 0 309.326 0.219 20 5 DCBDRO Cc1cccnc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775360 659557305 /nfs/dbraw/zinc/55/73/05/659557305.db2.gz SDPKLYSLXDSQRS-AMVBZWJASA-N 1 0 316.361 0.602 20 5 DCBDRO C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000893027490 659684909 /nfs/dbraw/zinc/68/49/09/659684909.db2.gz VLHAWRNZVKYZON-NWDGAFQWSA-N 1 0 324.385 0.908 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000126440059 661828639 /nfs/dbraw/zinc/82/86/39/661828639.db2.gz SSWSDIQXZOIYNL-NSHDSACASA-N 1 0 320.349 0.523 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179208281 662827567 /nfs/dbraw/zinc/82/75/67/662827567.db2.gz MAYHGJVGWRUAFS-LBPRGKRZSA-N 1 0 323.349 0.841 20 5 DCBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000898844799 663110086 /nfs/dbraw/zinc/11/00/86/663110086.db2.gz JAHWKZRVPPRXRI-NEPJUHHUSA-N 1 0 307.354 0.780 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000899730206 663183457 /nfs/dbraw/zinc/18/34/57/663183457.db2.gz VYARYFYRUZFKBL-UHFFFAOYSA-N 1 0 301.730 0.902 20 5 DCBDRO CSc1cccc(C(=O)NCC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC000899737170 663184818 /nfs/dbraw/zinc/18/48/18/663184818.db2.gz BGNXEONMTJXUGR-UHFFFAOYSA-N 1 0 313.379 0.971 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903875100 663491176 /nfs/dbraw/zinc/49/11/76/663491176.db2.gz MOQMGUKJUNLASX-LLVKDONJSA-N 1 0 308.338 0.454 20 5 DCBDRO CC[NH2+]CC1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000911864875 664115887 /nfs/dbraw/zinc/11/58/87/664115887.db2.gz TZERHESZCWJBPQ-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCSC(F)(F)F)c1 ZINC000231950966 664633962 /nfs/dbraw/zinc/63/39/62/664633962.db2.gz BRYPKBHSULQNQR-MRVPVSSYSA-N 1 0 314.289 0.995 20 5 DCBDRO CC(C)[C@H](C[NH+](C)C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000733167945 665078442 /nfs/dbraw/zinc/07/84/42/665078442.db2.gz YWLCIJFUTOFIRC-LBPRGKRZSA-N 1 0 310.354 0.459 20 5 DCBDRO Cc1ccc(C[NH2+]C[C@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000922540280 666479553 /nfs/dbraw/zinc/47/95/53/666479553.db2.gz QOGCLNISOJEOOU-HNNXBMFYSA-N 1 0 309.366 0.686 20 5 DCBDRO Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001034643840 667089667 /nfs/dbraw/zinc/08/96/67/667089667.db2.gz ULHMAZQOFDCXJM-AAVRWANBSA-N 1 0 321.381 0.602 20 5 DCBDRO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000886590964 667779925 /nfs/dbraw/zinc/77/99/25/667779925.db2.gz ICWOGHWTIHTWFD-LBPRGKRZSA-N 1 0 309.370 0.980 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000123664462 667828504 /nfs/dbraw/zinc/82/85/04/667828504.db2.gz DZUXWKRBCZGHOI-UHFFFAOYSA-N 1 0 303.315 0.764 20 5 DCBDRO O=[N+]([O-])c1c(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)nc2ccccn21 ZINC000872758425 667936039 /nfs/dbraw/zinc/93/60/39/667936039.db2.gz VDIYSEFIFLHFFS-NWDGAFQWSA-N 1 0 317.349 0.888 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890083690 668093908 /nfs/dbraw/zinc/09/39/08/668093908.db2.gz LUILPPKAZFYMGS-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@@H](C)C1 ZINC000839683000 668134036 /nfs/dbraw/zinc/13/40/36/668134036.db2.gz JMOQLTFDVOXMFK-RFQIPJPRSA-N 1 0 313.398 0.905 20 5 DCBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707348 668135499 /nfs/dbraw/zinc/13/54/99/668135499.db2.gz SYFMGFQGHJJVEM-XJFOESAGSA-N 1 0 311.382 0.536 20 5 DCBDRO Cc1cc(F)cc(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000762715002 668372890 /nfs/dbraw/zinc/37/28/90/668372890.db2.gz DUYILVSWBMXBLE-AWEZNQCLSA-N 1 0 311.313 0.839 20 5 DCBDRO C[C@H]1CN(Cn2nccc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763336872 668405409 /nfs/dbraw/zinc/40/54/09/668405409.db2.gz NWSPDZWGMFFKNK-KBPBESRZSA-N 1 0 322.413 0.707 20 5 DCBDRO O=C1CC[C@@H]2CN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000766273140 668530363 /nfs/dbraw/zinc/53/03/63/668530363.db2.gz VEIJEBPZFYEGEU-ZIAGYGMSSA-N 1 0 305.334 0.935 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167307 668570930 /nfs/dbraw/zinc/57/09/30/668570930.db2.gz TXUBCGMGIUIFMA-JQWIXIFHSA-N 1 0 301.306 0.517 20 5 DCBDRO Cc1nn(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1[N+](=O)[O-] ZINC000779865356 668945463 /nfs/dbraw/zinc/94/54/63/668945463.db2.gz LLFPDCAULBFTCK-AWEZNQCLSA-N 1 0 322.413 0.769 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000879560193 669062791 /nfs/dbraw/zinc/06/27/91/669062791.db2.gz RXNUTQQKWCVJQJ-NQBHXWOUSA-N 1 0 312.395 0.837 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932001806 669295656 /nfs/dbraw/zinc/29/56/56/669295656.db2.gz BRQYWMHDISIMOY-NSHDSACASA-N 1 0 309.322 0.451 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788205183 669421993 /nfs/dbraw/zinc/42/19/93/669421993.db2.gz MVYBKTIGHSUTAG-HNNXBMFYSA-N 1 0 322.365 0.706 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000934572507 669616517 /nfs/dbraw/zinc/61/65/17/669616517.db2.gz AXSHXDZDADUSHS-BXKDBHETSA-N 1 0 307.354 0.699 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)C[N@H+](CC1CC1)CCO2 ZINC000949365924 670323560 /nfs/dbraw/zinc/32/35/60/670323560.db2.gz MDCSFYMCRYKJCD-ZIAGYGMSSA-N 1 0 323.393 0.755 20 5 DCBDRO Cc1ncc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n1C ZINC000850140394 670885772 /nfs/dbraw/zinc/88/57/72/670885772.db2.gz ZBGULBFWSDOHMO-HUUCEWRRSA-N 1 0 320.349 0.821 20 5 DCBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cn(CC[NH3+])nn1)CC2 ZINC000851638672 671002781 /nfs/dbraw/zinc/00/27/81/671002781.db2.gz JRLFLHHMUSKURH-UHFFFAOYSA-N 1 0 316.321 0.656 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612421 671036299 /nfs/dbraw/zinc/03/62/99/671036299.db2.gz QERKKFKXWDWYDJ-AWEZNQCLSA-N 1 0 307.354 0.844 20 5 DCBDRO CN1CCN(C)[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819048741 671089376 /nfs/dbraw/zinc/08/93/76/671089376.db2.gz ASZYIANIKOJNMZ-HUUCEWRRSA-N 1 0 308.382 0.464 20 5 DCBDRO NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819154321 671099357 /nfs/dbraw/zinc/09/93/57/671099357.db2.gz GWXUQMKLYSFQMI-UPJWGTAASA-N 1 0 309.322 0.251 20 5 DCBDRO CN1C(=O)CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819384397 671115731 /nfs/dbraw/zinc/11/57/31/671115731.db2.gz YFSQVHWVTJQUMS-VXGBXAGGSA-N 1 0 307.306 0.365 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827329844 671523157 /nfs/dbraw/zinc/52/31/57/671523157.db2.gz INCLYFXBOLLPLX-NWDGAFQWSA-N 1 0 307.354 0.652 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C1 ZINC000829911322 671595775 /nfs/dbraw/zinc/59/57/75/671595775.db2.gz VILKAKZONROWLT-NWDGAFQWSA-N 1 0 301.387 0.735 20 5 DCBDRO Cc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000834316127 671753997 /nfs/dbraw/zinc/75/39/97/671753997.db2.gz AQJNBWSOIRCXCA-CABZTGNLSA-N 1 0 308.338 0.674 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC(C)(C)C[NH3+] ZINC000841168917 671917629 /nfs/dbraw/zinc/91/76/29/671917629.db2.gz WRFVHEAJNKMTEH-UHFFFAOYSA-N 1 0 312.301 0.834 20 5 DCBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H](O)C[NH3+] ZINC000842475095 672013306 /nfs/dbraw/zinc/01/33/06/672013306.db2.gz IPOALCRMBTYRDT-VIFPVBQESA-N 1 0 316.745 0.438 20 5 DCBDRO Cn1cc([C@@H](O)C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843094540 672061386 /nfs/dbraw/zinc/06/13/86/672061386.db2.gz UZJRZBDQMMSJSF-KBPBESRZSA-N 1 0 306.322 0.685 20 5 DCBDRO [NH3+]CCCc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000843225413 672072456 /nfs/dbraw/zinc/07/24/56/672072456.db2.gz ZMXFOIZBIHYCDB-UHFFFAOYSA-N 1 0 319.321 0.728 20 5 DCBDRO C[NH+](C)CC[C@H](N)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000844912501 672209491 /nfs/dbraw/zinc/20/94/91/672209491.db2.gz IBHYUZQFPKHCGI-NSHDSACASA-N 1 0 306.326 0.915 20 5 DCBDRO CC(=O)OC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090589234 685103249 /nfs/dbraw/zinc/10/32/49/685103249.db2.gz CFVKMSHACGBXOV-UHFFFAOYSA-N 1 0 309.322 0.784 20 5 DCBDRO Cc1nc(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001020138811 693710032 /nfs/dbraw/zinc/71/00/32/693710032.db2.gz BKXZRAUPSJZMPX-FDYHWXHSSA-N 1 0 324.406 0.896 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)CCCF)C1 ZINC001566848190 1160167378 /nfs/dbraw/zinc/16/73/78/1160167378.db2.gz FLSRYKNFYACOCV-AOOOYVTPSA-N 1 0 313.333 0.815 20 5 DCBDRO C[C@@](CO)(NC(=O)[C@H]1[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001576039051 1164219244 /nfs/dbraw/zinc/21/92/44/1164219244.db2.gz XXKHLIAJKBEQFN-DOMZBBRYSA-N 1 0 307.350 0.917 20 5 DCBDRO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001576299312 1164294531 /nfs/dbraw/zinc/29/45/31/1164294531.db2.gz FESBYZOECBMXNK-FXAINCCUSA-N 1 0 311.363 0.524 20 5 DCBDRO CC1(C)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC001576450042 1164349092 /nfs/dbraw/zinc/34/90/92/1164349092.db2.gz CGYXTROZZXCRQC-GFCCVEGCSA-N 1 0 320.349 0.520 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001577175782 1164621481 /nfs/dbraw/zinc/62/14/81/1164621481.db2.gz HTOSGJKFXMXCDH-DCAQKATOSA-N 1 0 322.369 0.400 20 5 DCBDRO CC[C@H]1[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001578241562 1164961879 /nfs/dbraw/zinc/96/18/79/1164961879.db2.gz BNXQVTDMAUVVNC-ZJUUUORDSA-N 1 0 300.340 0.409 20 5 DCBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001578457844 1165023395 /nfs/dbraw/zinc/02/33/95/1165023395.db2.gz YYXMQRKDXJJHAO-NSHDSACASA-N 1 0 316.321 0.609 20 5 DCBDRO COC[C@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[NH2+]CCO1 ZINC001578976591 1165175753 /nfs/dbraw/zinc/17/57/53/1165175753.db2.gz CIPULLIDMRKCSN-AWEZNQCLSA-N 1 0 309.322 0.216 20 5 DCBDRO Cc1cc(OS(=O)(=O)C[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001579639840 1165368639 /nfs/dbraw/zinc/36/86/39/1165368639.db2.gz VEWDZSTZSXTISH-NSHDSACASA-N 1 0 316.335 0.600 20 5 DCBDRO Cc1nn(CCC(=O)N[C@H]2C[NH2+]CC2(C)C)c(C)c1[N+](=O)[O-] ZINC001579895407 1165428697 /nfs/dbraw/zinc/42/86/97/1165428697.db2.gz LBAXNCIEVYASBB-NSHDSACASA-N 1 0 309.370 0.912 20 5 DCBDRO [NH3+]Cc1ncc(C(=O)NCCc2cccc([N+](=O)[O-])c2)cn1 ZINC001580356467 1165582392 /nfs/dbraw/zinc/58/23/92/1165582392.db2.gz AOFPEOZQEHJILK-UHFFFAOYSA-N 1 0 301.306 0.816 20 5 DCBDRO O=C(NC[C@@H]1COCC[NH2+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001580666698 1165681423 /nfs/dbraw/zinc/68/14/23/1165681423.db2.gz XNGYIKOIOUIVSP-SNVBAGLBSA-N 1 0 304.306 0.794 20 5 DCBDRO CC[NH+]1CCN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001590736741 1166995527 /nfs/dbraw/zinc/99/55/27/1166995527.db2.gz YMGSOAMUEMGWLN-UHFFFAOYSA-N 1 0 303.326 0.917 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC001593482708 1167869481 /nfs/dbraw/zinc/86/94/81/1167869481.db2.gz QHGJBRMCLFUMPX-SDBXPKJASA-N 1 0 302.294 0.342 20 5 DCBDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001603380380 1169304125 /nfs/dbraw/zinc/30/41/25/1169304125.db2.gz KQAFYXFTGQJZFH-LLVKDONJSA-N 1 0 306.326 0.881 20 5 DCBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+](C)C ZINC001609113874 1170814313 /nfs/dbraw/zinc/81/43/13/1170814313.db2.gz KNSWPNRTGNUTSA-MRVPVSSYSA-N 1 0 306.330 0.780 20 5 DCBDRO CN1C[C@H](C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)OC1=O ZINC001620495280 1171404357 /nfs/dbraw/zinc/40/43/57/1171404357.db2.gz KQIWXMJQNGRTOI-JSGCOSHPSA-N 1 0 309.322 0.843 20 5 DCBDRO CNc1nccc(C(=O)N(C)CC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC001630593867 1171574148 /nfs/dbraw/zinc/57/41/48/1171574148.db2.gz PMKPWZBKSYVCMM-UHFFFAOYSA-N 1 0 311.342 0.028 20 5 DCBDRO C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC001633829584 1171654608 /nfs/dbraw/zinc/65/46/08/1171654608.db2.gz MXFOJNRFAWXLSH-NSHDSACASA-N 1 0 320.349 0.523 20 5 DCBDRO CC1=CC[N@H+](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001639909889 1171855464 /nfs/dbraw/zinc/85/54/64/1171855464.db2.gz OXFFLCRPWOJJHG-UHFFFAOYSA-N 1 0 305.338 0.954 20 5 DCBDRO O=C(CC[N@H+]1C[C@H](CO)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001644246925 1172000496 /nfs/dbraw/zinc/00/04/96/1172000496.db2.gz VHXDUSJDIYMCQA-TXEJJXNPSA-N 1 0 323.349 0.456 20 5 DCBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC001645133046 1172028952 /nfs/dbraw/zinc/02/89/52/1172028952.db2.gz VILIMVRHZOJTOJ-JTQLQIEISA-N 1 0 307.354 0.986 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC001651524643 1173750836 /nfs/dbraw/zinc/75/08/36/1173750836.db2.gz BWDZCIATFOZLIU-LSJOCFKGSA-N 1 0 305.338 0.841 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)n1 ZINC001654996623 1173813829 /nfs/dbraw/zinc/81/38/29/1173813829.db2.gz GTXDBVALAOZLEL-GASCZTMLSA-N 1 0 324.381 0.638 20 5 DCBDRO C[N@H+](CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)CCOCCO ZINC001655793496 1173827171 /nfs/dbraw/zinc/82/71/71/1173827171.db2.gz RQWWRLVLJPBBDI-UHFFFAOYSA-N 1 0 323.353 0.824 20 5 DCBDRO CONC(=O)C1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001660045641 1173937897 /nfs/dbraw/zinc/93/78/97/1173937897.db2.gz HGIFQLYGNHLTDK-UHFFFAOYSA-N 1 0 311.342 0.489 20 5 DCBDRO COCc1n[nH]c(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)n1 ZINC001660215444 1173961064 /nfs/dbraw/zinc/96/10/64/1173961064.db2.gz SZMIEOLLWGEHNM-UHFFFAOYSA-N 1 0 307.314 0.549 20 5 DCBDRO Cn1ccnc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001714133045 1181258549 /nfs/dbraw/zinc/25/85/49/1181258549.db2.gz HQWDLUFTCOLZNW-VXGBXAGGSA-N 1 0 321.381 0.604 20 5 DCBDRO CN(CC[NH2+]Cc1cc(C2CC2)no1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714703151 1181492334 /nfs/dbraw/zinc/49/23/34/1181492334.db2.gz FNVWJTJNTBQMBA-DGCLKSJQSA-N 1 0 308.338 0.765 20 5 DCBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001732802096 1185976033 /nfs/dbraw/zinc/97/60/33/1185976033.db2.gz NMSBJHNADXRSFZ-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO CC(=O)NCC(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001732818260 1185983870 /nfs/dbraw/zinc/98/38/70/1185983870.db2.gz RSRYOSFHAMTCMQ-IHWYPQMZSA-N 1 0 320.349 0.493 20 5 DCBDRO Cn1cncc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001733717130 1186413321 /nfs/dbraw/zinc/41/33/21/1186413321.db2.gz XOPMRROBWAYKFJ-VXGBXAGGSA-N 1 0 307.354 0.214 20 5 DCBDRO CC(=O)NCC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001754506761 1188870976 /nfs/dbraw/zinc/87/09/76/1188870976.db2.gz SEZKXLGLLBUAJI-UHFFFAOYSA-N 1 0 320.349 0.469 20 5 DCBDRO COc1cc(C)nc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164666509 719390237 /nfs/dbraw/zinc/39/02/37/719390237.db2.gz KSJYYYDXNSITLM-CMPLNLGQSA-N 1 0 308.338 0.826 20 5 DCBDRO CCOc1nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)ccc1[N+](=O)[O-] ZINC001164669217 719416139 /nfs/dbraw/zinc/41/61/39/719416139.db2.gz LITIGRWHLGCZLQ-NEPJUHHUSA-N 1 0 308.338 0.908 20 5 DCBDRO O=[N+]([O-])c1c(NC2(c3cccnn3)CC2)ncnc1C1C[NH2+]C1 ZINC001168513038 751344888 /nfs/dbraw/zinc/34/48/88/751344888.db2.gz LBAAIPUXDVMXFQ-UHFFFAOYSA-N 1 0 313.321 0.963 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3OCC[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001167219242 747023688 /nfs/dbraw/zinc/02/36/88/747023688.db2.gz BXLMMWWHHXUCFD-BXKDBHETSA-N 1 0 305.338 0.687 20 5 DCBDRO COc1nc(SC)nc(-n2ccc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001167727861 747918312 /nfs/dbraw/zinc/91/83/12/747918312.db2.gz DMNWINRBURWBSC-UHFFFAOYSA-N 1 0 310.339 0.802 20 5 DCBDRO [NH3+]CCc1nnn(-c2ccc(OC(F)(F)F)c([N+](=O)[O-])c2)n1 ZINC001167790150 748312148 /nfs/dbraw/zinc/31/21/48/748312148.db2.gz AIEJFPQVEXTFDK-UHFFFAOYSA-N 1 0 318.215 0.970 20 5 DCBDRO Cn1nccc1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126392973 748691358 /nfs/dbraw/zinc/69/13/58/748691358.db2.gz GRHAIWYRVOGHRL-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO Cc1c[nH]c(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)n1 ZINC001167956688 748743605 /nfs/dbraw/zinc/74/36/05/748743605.db2.gz IHPRBWBCMXRYPB-UHFFFAOYSA-N 1 0 321.341 0.270 20 5 DCBDRO C[NH+](C)CCOc1cc(NCC(=O)CCO)ccc1[N+](=O)[O-] ZINC001170100865 762109463 /nfs/dbraw/zinc/10/94/63/762109463.db2.gz OROCLCHEWUENFZ-UHFFFAOYSA-N 1 0 311.338 0.899 20 5 DCBDRO [NH3+][C@@H]1CCN(c2cc([N+](=O)[O-])cc(Br)[n+]2[O-])C1 ZINC001164281853 756636284 /nfs/dbraw/zinc/63/62/84/756636284.db2.gz PDJIXEVKZBUEHO-ZCFIWIBFSA-N 1 0 303.116 0.528 20 5 DCBDRO CCOC(=O)COc1ncc(NCC2C[NH+](C)C2)cc1[N+](=O)[O-] ZINC001170254102 762592333 /nfs/dbraw/zinc/59/23/33/762592333.db2.gz IOKQJIPJKZUVOG-UHFFFAOYSA-N 1 0 324.337 0.905 20 5 DCBDRO Cc1conc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363430 760100683 /nfs/dbraw/zinc/10/06/83/760100683.db2.gz SZHFDIYWKZHBPR-PRULPYPASA-N 1 0 308.338 0.633 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168817343 760458187 /nfs/dbraw/zinc/45/81/87/760458187.db2.gz JXZXQYAOZYAQDR-SECBINFHSA-N 1 0 317.305 0.778 20 5 DCBDRO COc1ccc(NC(=O)CC[NH2+]C2(C(N)=O)CC2)c([N+](=O)[O-])c1 ZINC001168847646 760486718 /nfs/dbraw/zinc/48/67/18/760486718.db2.gz FGOHKHKXZDXDCD-UHFFFAOYSA-N 1 0 322.321 0.540 20 5 DCBDRO CC(C)(C)OC(=O)c1ccc(-n2nnnc2C[NH3+])cc1[N+](=O)[O-] ZINC001168924611 760515346 /nfs/dbraw/zinc/51/53/46/760515346.db2.gz OKTHHFTZQOYXQH-UHFFFAOYSA-N 1 0 320.309 0.985 20 5 DCBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(C)S(=O)(=O)CC[NH3+])n1 ZINC001156237081 760524590 /nfs/dbraw/zinc/52/45/90/760524590.db2.gz WHQPKYXAAQMISQ-UHFFFAOYSA-N 1 0 308.747 0.676 20 5 DCBDRO Cc1nc(CC[NH3+])nn1-c1ncnc2sc([N+](=O)[O-])cc21 ZINC001168986094 760527415 /nfs/dbraw/zinc/52/74/15/760527415.db2.gz OGEHABMUKCMCDH-UHFFFAOYSA-N 1 0 305.323 0.990 20 5 DCBDRO CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968461 760534538 /nfs/dbraw/zinc/53/45/38/760534538.db2.gz ZHHASLBAGAUHFB-CMPLNLGQSA-N 1 0 305.400 0.445 20 5 DCBDRO Cc1nc(CC[NH3+])nn1-c1ccc([N+](=O)[O-])c2c1CCN(C)C2 ZINC001168988766 760546178 /nfs/dbraw/zinc/54/61/78/760546178.db2.gz AZDVVLFSTOZPLR-UHFFFAOYSA-N 1 0 316.365 0.973 20 5 DCBDRO CN(C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)S(C)(=O)=O ZINC001169033898 760551155 /nfs/dbraw/zinc/55/11/55/760551155.db2.gz DUACYAZZACQMQS-DGCLKSJQSA-N 1 0 319.427 0.788 20 5 DCBDRO O=C1COCCN1C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169047934 760562394 /nfs/dbraw/zinc/56/23/94/760562394.db2.gz STEHEFLJMATMHP-JSGCOSHPSA-N 1 0 311.382 0.755 20 5 DCBDRO CCN(CC)C(=O)[C@@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156369747 760802698 /nfs/dbraw/zinc/80/26/98/760802698.db2.gz MYKOGTSOYBOAIY-SECBINFHSA-N 1 0 322.369 0.740 20 5 DCBDRO O=C(CCn1cncn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123659745 768040955 /nfs/dbraw/zinc/04/09/55/768040955.db2.gz PMLJEESWBRKDHX-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO COC(=O)NCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124172162 768158282 /nfs/dbraw/zinc/15/82/82/768158282.db2.gz GJSZUELIWFWJHR-UHFFFAOYSA-N 1 0 310.310 0.157 20 5 DCBDRO O=C(Cc1ncc[nH]1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135756215 766082523 /nfs/dbraw/zinc/08/25/23/766082523.db2.gz XMXLSKAZBJJRTI-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118032474 766200029 /nfs/dbraw/zinc/20/00/29/766200029.db2.gz PPEKFXNCWZJUGN-AWEZNQCLSA-N 1 0 320.349 0.999 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001118034394 766201078 /nfs/dbraw/zinc/20/10/78/766201078.db2.gz BYDHGSGWPUNNEJ-NSHDSACASA-N 1 0 322.365 0.368 20 5 DCBDRO CN1CC[NH+](CCCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001136188193 766257630 /nfs/dbraw/zinc/25/76/30/766257630.db2.gz ZEHBSDWGLJRMPB-UHFFFAOYSA-N 1 0 314.430 0.966 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH2+]CC1 ZINC001118235486 766262585 /nfs/dbraw/zinc/26/25/85/766262585.db2.gz SJACHTOKUMDROR-UHFFFAOYSA-N 1 0 307.354 0.272 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1nc(C)c([N+](=O)[O-])c(OC)n1 ZINC001170993168 766371032 /nfs/dbraw/zinc/37/10/32/766371032.db2.gz ZYESJYXAXSLAHF-UHFFFAOYSA-N 1 0 313.314 0.030 20 5 DCBDRO Cc1nn(C)c(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001120071352 766894737 /nfs/dbraw/zinc/89/47/37/766894737.db2.gz SQKVQBIKQDDWGF-VXGBXAGGSA-N 1 0 309.370 0.672 20 5 DCBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001122182444 767734338 /nfs/dbraw/zinc/73/43/38/767734338.db2.gz VJHHAEOVCVCCEN-GARJFASQSA-N 1 0 308.338 0.354 20 5 DCBDRO C[NH+](C)CCC(=O)N1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001093193098 768483060 /nfs/dbraw/zinc/48/30/60/768483060.db2.gz AACDWVOCZAUELO-UHFFFAOYSA-N 1 0 323.353 0.296 20 5 DCBDRO C[NH+]1CCC(C(=O)NCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC001093700589 768696807 /nfs/dbraw/zinc/69/68/07/768696807.db2.gz AMOUUEPHDYQUOR-UHFFFAOYSA-N 1 0 323.353 0.565 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@@H]21 ZINC001171814598 769383488 /nfs/dbraw/zinc/38/34/88/769383488.db2.gz KHFHIZLMXDNCOI-SKDRFNHKSA-N 1 0 305.338 0.738 20 5 DCBDRO CC(=O)N1CCc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc21 ZINC001233643047 769416843 /nfs/dbraw/zinc/41/68/43/769416843.db2.gz RCQPZFRLXCRGJN-CQSZACIVSA-N 1 0 321.397 0.958 20 5 DCBDRO COC(=O)c1cccc(F)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001233685146 769427702 /nfs/dbraw/zinc/42/77/02/769427702.db2.gz FXGOIMONLVCFMG-SNVBAGLBSA-N 1 0 314.333 0.975 20 5 DCBDRO O=C1CO[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172912328 769521151 /nfs/dbraw/zinc/52/11/51/769521151.db2.gz NELZHOJMYLVQSX-HIFRSBDPSA-N 1 0 319.361 0.947 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C[C@@H](O)CO)c1F ZINC001173186285 769556534 /nfs/dbraw/zinc/55/65/34/769556534.db2.gz PKWQHLSGVFTHAQ-VHSXEESVSA-N 1 0 316.329 0.959 20 5 DCBDRO O=C1C[C@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCN1 ZINC001154942006 770347635 /nfs/dbraw/zinc/34/76/35/770347635.db2.gz NCAQGZLWDIZDLC-MRVPVSSYSA-N 1 0 306.326 0.010 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCOC[C@@H]1C[NH+](C)C ZINC001154968038 770353790 /nfs/dbraw/zinc/35/37/90/770353790.db2.gz LYFQDKFCUSZYBL-NSHDSACASA-N 1 0 324.337 0.543 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCC[NH2+]CCO)CC1CCCC1 ZINC001177314067 770404722 /nfs/dbraw/zinc/40/47/22/770404722.db2.gz ZBVZZXXRBQBQCV-ZIAGYGMSSA-N 1 0 313.398 0.642 20 5 DCBDRO COC(=O)NCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155130043 770409474 /nfs/dbraw/zinc/40/94/74/770409474.db2.gz ZJKOKGOILIXXHM-UHFFFAOYSA-N 1 0 324.337 0.547 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c(OC)n2)CC1 ZINC001155152196 770413928 /nfs/dbraw/zinc/41/39/28/770413928.db2.gz IYDOKBARDYDPGY-GFCCVEGCSA-N 1 0 324.337 0.715 20 5 DCBDRO COc1nc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155364315 770476764 /nfs/dbraw/zinc/47/67/64/770476764.db2.gz XWTJJPCQKTUIMM-LLVKDONJSA-N 1 0 322.369 0.253 20 5 DCBDRO Cc1nc(Cl)nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001155479787 770516553 /nfs/dbraw/zinc/51/65/53/770516553.db2.gz GEEJZDUAJRWOBP-IWSPIJDZSA-N 1 0 313.745 0.993 20 5 DCBDRO CC(C)Cn1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760719 771665135 /nfs/dbraw/zinc/66/51/35/771665135.db2.gz HULRAEUSLSNQTD-VXGBXAGGSA-N 1 0 324.385 0.195 20 5 DCBDRO Cc1nc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158268890 771750551 /nfs/dbraw/zinc/75/05/51/771750551.db2.gz NQTBGVPXNQBFIW-NSHDSACASA-N 1 0 306.370 0.695 20 5 DCBDRO O=C(Cn1nccn1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001158922178 771834474 /nfs/dbraw/zinc/83/44/74/771834474.db2.gz UOMAQSVMMHSLCC-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO [NH3+]CCOCCOCCNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159444462 771911421 /nfs/dbraw/zinc/91/14/21/771911421.db2.gz HEHHICFSIMYKRX-UHFFFAOYSA-N 1 0 315.286 0.302 20 5 DCBDRO CC(C)(C(N)=O)C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001160403161 772032963 /nfs/dbraw/zinc/03/29/63/772032963.db2.gz UBVQBLKFPPVXSQ-UHFFFAOYSA-N 1 0 322.365 0.702 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001161469655 772228635 /nfs/dbraw/zinc/22/86/35/772228635.db2.gz HLDHBGGZWXVISG-CYBMUJFWSA-N 1 0 321.381 0.775 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001162802376 772420715 /nfs/dbraw/zinc/42/07/15/772420715.db2.gz MSEVUEGCMFUANH-OUAUKWLOSA-N 1 0 318.337 0.838 20 5 DCBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163248300 772490874 /nfs/dbraw/zinc/49/08/74/772490874.db2.gz GOUFLBDHNFBFBF-JSGCOSHPSA-N 1 0 306.322 0.984 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3ncc([N+](=O)[O-])n3c2)N1 ZINC001163253151 772492366 /nfs/dbraw/zinc/49/23/66/772492366.db2.gz YGFGWAQRBTTYIB-RNCFNFMXSA-N 1 0 302.294 0.233 20 5 DCBDRO Cn1cc(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1=O ZINC001163281172 772498507 /nfs/dbraw/zinc/49/85/07/772498507.db2.gz WGYUAENBTWYILV-XHDPSFHLSA-N 1 0 322.365 0.864 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001163310808 772504165 /nfs/dbraw/zinc/50/41/65/772504165.db2.gz PTQSIXZEPMANMA-ZANVPECISA-N 1 0 309.326 0.716 20 5 DCBDRO Cc1cc(N(C(=N)N)c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)n[nH]1 ZINC001163514278 772532244 /nfs/dbraw/zinc/53/22/44/772532244.db2.gz RMXPOAPDFFJCSJ-UHFFFAOYSA-N 1 0 317.313 0.135 20 5 DCBDRO CC(=O)N1CCc2cc(N(CC[NH3+])CCO)cc([N+](=O)[O-])c21 ZINC001163836660 772580088 /nfs/dbraw/zinc/58/00/88/772580088.db2.gz YYJXIQNSALGIOU-UHFFFAOYSA-N 1 0 308.338 0.261 20 5 DCBDRO NC(=O)c1ccnc(NC[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001164350294 772649076 /nfs/dbraw/zinc/64/90/76/772649076.db2.gz IDSGZKHFCQNUOD-SNVBAGLBSA-N 1 0 305.338 0.842 20 5 DCBDRO O=[N+]([O-])c1cnccc1NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001164380690 772652567 /nfs/dbraw/zinc/65/25/67/772652567.db2.gz ZCBAAPLCQLZKKV-SMDDNHRTSA-N 1 0 308.338 0.049 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001165437567 772737053 /nfs/dbraw/zinc/73/70/53/772737053.db2.gz SXLQFQBVVCKNQK-LBPRGKRZSA-N 1 0 317.305 0.489 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001165442723 772739600 /nfs/dbraw/zinc/73/96/00/772739600.db2.gz PVAKZXNJSCVPNI-LLVKDONJSA-N 1 0 324.337 0.728 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001206837751 773111290 /nfs/dbraw/zinc/11/12/90/773111290.db2.gz HKNFKISPMINUGO-VXGBXAGGSA-N 1 0 320.349 0.230 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001218858998 774316176 /nfs/dbraw/zinc/31/61/76/774316176.db2.gz HSOZBLWRSZXREW-ABKXIKBNSA-N 1 0 323.356 0.884 20 5 DCBDRO Cc1ccnc(N(C)CCNC(=O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001100299802 775236528 /nfs/dbraw/zinc/23/65/28/775236528.db2.gz YSWHQZMFEXONOH-UHFFFAOYSA-N 1 0 309.370 0.802 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2ccc(Cl)nc2[nH]1 ZINC001226590355 775841638 /nfs/dbraw/zinc/84/16/38/775841638.db2.gz UJQJZZCWLWVMHL-MRVPVSSYSA-N 1 0 313.765 0.974 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1n[nH]c(=O)c2cccnc21 ZINC001228703091 776116740 /nfs/dbraw/zinc/11/67/40/776116740.db2.gz FTCJUKGRCAHSGK-SECBINFHSA-O 1 0 307.330 0.093 20 5 DCBDRO Cc1nc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sc1C ZINC001267371702 939438484 /nfs/dbraw/zinc/43/84/84/939438484.db2.gz RHKFAMXCKYVTLS-GHMZBOCLSA-N 1 0 312.395 0.973 20 5 DCBDRO COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001268541802 940225832 /nfs/dbraw/zinc/22/58/32/940225832.db2.gz MQQQWIGCNZSRSW-LLGAQUFESA-N 1 0 320.349 0.517 20 5 DCBDRO COc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001483008090 941773330 /nfs/dbraw/zinc/77/33/30/941773330.db2.gz RYSYDXZOIZXLPG-XCUNLHGCSA-N 1 0 320.349 0.517 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246862900 945508423 /nfs/dbraw/zinc/50/84/23/945508423.db2.gz FDYQWFCELGUZKS-FZMZJTMJSA-N 1 0 307.350 0.973 20 5 DCBDRO C[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]CC[C@@H]1O ZINC001247751836 945571999 /nfs/dbraw/zinc/57/19/99/945571999.db2.gz MHKQSOOMPIXFLO-TVQRCGJNSA-N 1 0 323.284 0.791 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCN(CCO)CCO)C2 ZINC001254571710 946409204 /nfs/dbraw/zinc/40/92/04/946409204.db2.gz AQUHSECGLXVZGE-OAHLLOKOSA-N 1 0 323.393 0.328 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254588470 946411872 /nfs/dbraw/zinc/41/18/72/946411872.db2.gz ZGWURAMNUCFQQE-JOYOIKCWSA-N 1 0 321.333 0.329 20 5 DCBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001322846391 946833960 /nfs/dbraw/zinc/83/39/60/946833960.db2.gz QMHPFGOAJUFFEM-LBPRGKRZSA-N 1 0 322.365 0.605 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001324438517 947425691 /nfs/dbraw/zinc/42/56/91/947425691.db2.gz MFBBSIKURKVGST-NSHDSACASA-N 1 0 308.338 0.745 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001324635201 947488269 /nfs/dbraw/zinc/48/82/69/947488269.db2.gz IEGMKIGKMWRQGT-UHFFFAOYSA-N 1 0 311.342 0.169 20 5 DCBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001325104533 947655412 /nfs/dbraw/zinc/65/54/12/947655412.db2.gz REIODROOXBCKQK-GHMZBOCLSA-N 1 0 308.338 0.355 20 5 DCBDRO CN1CC[NH2+]C[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001263111227 947809503 /nfs/dbraw/zinc/80/95/03/947809503.db2.gz WZAAXJCXUFCTNT-HNNXBMFYSA-N 1 0 318.377 0.989 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC001326086245 948047575 /nfs/dbraw/zinc/04/75/75/948047575.db2.gz ACFQESLDVQTXIG-NOZJJQNGSA-N 1 0 308.338 0.825 20 5 DCBDRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1n[nH]cc1[N+](=O)[O-] ZINC001326306251 948125438 /nfs/dbraw/zinc/12/54/38/948125438.db2.gz PJYLPPUVYYOLTL-UHFFFAOYSA-N 1 0 305.298 0.691 20 5 DCBDRO O=C1CCCN1C[C@H](O)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001327002673 948361115 /nfs/dbraw/zinc/36/11/15/948361115.db2.gz KCKYCEQEPHKWSH-KGLIPLIRSA-N 1 0 323.349 0.201 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328729968 949057195 /nfs/dbraw/zinc/05/71/95/949057195.db2.gz XSPSLVDNZAJJNT-CYBMUJFWSA-N 1 0 306.322 0.608 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001331319023 951074344 /nfs/dbraw/zinc/07/43/44/951074344.db2.gz KLWRDFDQHXLQBK-JTQLQIEISA-N 1 0 308.338 0.107 20 5 DCBDRO CN1CC[C@H]([NH+]2CCC(Nc3c([N+](=O)[O-])cnn3C)CC2)C1=O ZINC001334272274 952277361 /nfs/dbraw/zinc/27/73/61/952277361.db2.gz VOSYYTSMRZVFIB-NSHDSACASA-N 1 0 322.369 0.435 20 5 DCBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001334868481 952404939 /nfs/dbraw/zinc/40/49/39/952404939.db2.gz PYYVEHUCZJRVTO-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001338462074 953016628 /nfs/dbraw/zinc/01/66/28/953016628.db2.gz KZOBBLMYQYIWTL-WCFLWFBJSA-N 1 0 307.354 0.638 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340615476 953182592 /nfs/dbraw/zinc/18/25/92/953182592.db2.gz OKFGFXXEVCFVDE-MJRJWQSSSA-N 1 0 303.318 0.855 20 5 DCBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC001341854387 953255181 /nfs/dbraw/zinc/25/51/81/953255181.db2.gz TVGZLQBONIIDLP-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001344414253 953481640 /nfs/dbraw/zinc/48/16/40/953481640.db2.gz MEVDEDKCEXCIBY-LBPRGKRZSA-N 1 0 322.365 0.754 20 5 DCBDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001344846662 953544191 /nfs/dbraw/zinc/54/41/91/953544191.db2.gz OIPUKANJIXDWAD-GARJFASQSA-N 1 0 308.338 0.354 20 5 DCBDRO CC[N@@H+]1CCCN(c2nnc(C[N+](=O)[O-])n2CCOC)CC1 ZINC001345647996 953695023 /nfs/dbraw/zinc/69/50/23/953695023.db2.gz UDBIZRAIPDBCBH-UHFFFAOYSA-N 1 0 312.374 0.233 20 5 DCBDRO Cc1c(CC(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC001347176022 954039054 /nfs/dbraw/zinc/03/90/54/954039054.db2.gz YFOLRYMTQDONPA-MRXNPFEDSA-N 1 0 321.377 0.971 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001347704845 954151749 /nfs/dbraw/zinc/15/17/49/954151749.db2.gz NNKUSMIDYXQSDD-IINYFYTJSA-N 1 0 319.365 0.963 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC001347921134 954179364 /nfs/dbraw/zinc/17/93/64/954179364.db2.gz JFZUOTMOLGOCTA-HNNXBMFYSA-N 1 0 307.350 0.662 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348606019 954385600 /nfs/dbraw/zinc/38/56/00/954385600.db2.gz SZPNPFNFQPPMHR-SECBINFHSA-N 1 0 306.322 0.148 20 5 DCBDRO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001348837878 954493700 /nfs/dbraw/zinc/49/37/00/954493700.db2.gz PVGRFZGWRDOQIN-TUKIKUTGSA-N 1 0 316.361 0.851 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001351590048 955345668 /nfs/dbraw/zinc/34/56/68/955345668.db2.gz DVTJSEWIPGUFHY-LLVKDONJSA-N 1 0 322.365 0.792 20 5 DCBDRO C[NH+]1CCC2(CCN2c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC001472901164 956565879 /nfs/dbraw/zinc/56/58/79/956565879.db2.gz ASMJHPVCQSZFJB-UHFFFAOYSA-N 1 0 305.338 0.763 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC001355216016 956617578 /nfs/dbraw/zinc/61/75/78/956617578.db2.gz MQTUVJHMCCXPIP-NSHDSACASA-N 1 0 309.370 0.948 20 5 DCBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1CO ZINC001358040376 957418774 /nfs/dbraw/zinc/41/87/74/957418774.db2.gz YPGYGTZWISCLCG-MGPQQGTHSA-N 1 0 305.334 0.491 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)n1 ZINC001307074371 960138648 /nfs/dbraw/zinc/13/86/48/960138648.db2.gz AWVDHHKBEMKOMX-NSHDSACASA-N 1 0 322.369 0.247 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001464230548 1015890350 /nfs/dbraw/zinc/89/03/50/1015890350.db2.gz CWERPHCXZQQJGC-VXGBXAGGSA-N 1 0 320.349 0.500 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(CCO)(CCO)CC2)c1 ZINC001473714289 1016958496 /nfs/dbraw/zinc/95/84/96/1016958496.db2.gz BHKGTYJZAGGSLW-UHFFFAOYSA-N 1 0 312.370 0.638 20 5 DCBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC([NH2+]C2CCOCC2)C1 ZINC001455796853 1009976865 /nfs/dbraw/zinc/97/68/65/1009976865.db2.gz URKLIBNKHLSWHY-UHFFFAOYSA-N 1 0 322.321 0.288 20 5 DCBDRO CNc1nccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001456305269 1010181932 /nfs/dbraw/zinc/18/19/32/1010181932.db2.gz RJDKYNYRLRYMEG-SECBINFHSA-N 1 0 321.337 0.234 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001458623826 1012232251 /nfs/dbraw/zinc/23/22/51/1012232251.db2.gz WFGJMVWAXUGXSX-QMMMGPOBSA-N 1 0 300.340 0.358 20 5 DCBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC001557740868 1012297461 /nfs/dbraw/zinc/29/74/61/1012297461.db2.gz QYBVQZHSGOYOSE-GJZGRUSLSA-N 1 0 319.365 0.986 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558548756 1012365156 /nfs/dbraw/zinc/36/51/56/1012365156.db2.gz GTLSLRQPDJZZBE-LLVKDONJSA-N 1 0 321.333 0.563 20 5 DCBDRO O=C(CC[N@@H+]1CC[C@@H](O)[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001559915258 1012434914 /nfs/dbraw/zinc/43/49/14/1012434914.db2.gz JVWOONRDYKEKTP-SMDDNHRTSA-N 1 0 323.349 0.599 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC001560072888 1012438427 /nfs/dbraw/zinc/43/84/27/1012438427.db2.gz VNOOTJWKQNRJCQ-LBPRGKRZSA-N 1 0 313.333 0.635 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC001560072887 1012442240 /nfs/dbraw/zinc/44/22/40/1012442240.db2.gz VNOOTJWKQNRJCQ-GFCCVEGCSA-N 1 0 313.333 0.635 20 5 DCBDRO C[C@@]12CSC[C@@H]1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001460898706 1012984063 /nfs/dbraw/zinc/98/40/63/1012984063.db2.gz HVKRYZQALRFGTN-WCFLWFBJSA-N 1 0 312.395 0.837 20 5 DCBDRO CN(CC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC001515555970 1017125598 /nfs/dbraw/zinc/12/55/98/1017125598.db2.gz RQHMWLBCBGALMQ-HBYGRHMLSA-N 1 0 304.350 0.707 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001522357778 1017485917 /nfs/dbraw/zinc/48/59/17/1017485917.db2.gz HUHPEFQCJRZYOB-NWDGAFQWSA-N 1 0 307.354 0.700 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000289336830 282255242 /nfs/dbraw/zinc/25/52/42/282255242.db2.gz WIVDVKMNZXHOHP-AWEZNQCLSA-N 1 0 307.354 0.852 20 5 DCBDRO COc1cc(C(=O)NCC[N@H+](C)CCO)cc([N+](=O)[O-])c1C ZINC001645402783 1172041560 /nfs/dbraw/zinc/04/15/60/1172041560.db2.gz WWLATWUQHZALRV-UHFFFAOYSA-N 1 0 311.338 0.566 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000154522202 529984862 /nfs/dbraw/zinc/98/48/62/529984862.db2.gz WAZWYLRIBWXSET-SNVBAGLBSA-N 1 0 318.337 0.761 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272634810 210038068 /nfs/dbraw/zinc/03/80/68/210038068.db2.gz XKLOWKJSLCQPST-AAEUAGOBSA-N 1 0 322.369 0.527 20 5 DCBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000287179242 219362854 /nfs/dbraw/zinc/36/28/54/219362854.db2.gz ONNQNXMPCBLBNX-NEPJUHHUSA-N 1 0 307.354 0.877 20 5 DCBDRO COc1cc(C(=O)NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000264268218 186334133 /nfs/dbraw/zinc/33/41/33/186334133.db2.gz KZTCTTUESAEFND-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000331734523 234061678 /nfs/dbraw/zinc/06/16/78/234061678.db2.gz UBAYVVXUGWXOSS-HIFRSBDPSA-N 1 0 323.397 0.712 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)C1 ZINC000174501690 198342493 /nfs/dbraw/zinc/34/24/93/198342493.db2.gz SAFZQHAOYKOJIM-GFCCVEGCSA-N 1 0 309.370 0.900 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178194823 198829950 /nfs/dbraw/zinc/82/99/50/198829950.db2.gz SNCVXSXVKMJWJB-LLVKDONJSA-N 1 0 321.381 0.543 20 5 DCBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000178571950 198889859 /nfs/dbraw/zinc/88/98/59/198889859.db2.gz PQTQRNYDJKSKAQ-JTQLQIEISA-N 1 0 316.321 0.596 20 5 DCBDRO COC(=O)C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000179239783 199003173 /nfs/dbraw/zinc/00/31/73/199003173.db2.gz JYDLXSKJSVSABS-LLVKDONJSA-N 1 0 309.322 0.784 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180418015 199156885 /nfs/dbraw/zinc/15/68/85/199156885.db2.gz HOXNDDARJPZFOY-ZJUUUORDSA-N 1 0 309.322 0.923 20 5 DCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264562638 283352039 /nfs/dbraw/zinc/35/20/39/283352039.db2.gz QXUXZRCCLLJSOB-CYBMUJFWSA-N 1 0 320.349 0.664 20 5 DCBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000187860367 200168064 /nfs/dbraw/zinc/16/80/64/200168064.db2.gz WFQLAUPAOCMODN-CQSZACIVSA-N 1 0 322.365 0.810 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000566122649 291272342 /nfs/dbraw/zinc/27/23/42/291272342.db2.gz QSBBYJZEQUYBAP-NSHDSACASA-N 1 0 307.310 0.807 20 5 DCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1CC(C)(C)O ZINC000275445903 212338816 /nfs/dbraw/zinc/33/88/16/212338816.db2.gz GGNXMPCMRKFDGR-VIFPVBQESA-N 1 0 310.358 0.248 20 5 DCBDRO C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000420331658 240022639 /nfs/dbraw/zinc/02/26/39/240022639.db2.gz FOKFAVOZFNNARM-LLVKDONJSA-N 1 0 304.350 0.778 20 5 DCBDRO C[NH+](C)C1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000420816142 240061980 /nfs/dbraw/zinc/06/19/80/240061980.db2.gz KFQDFHQTLQBTIH-UHFFFAOYSA-N 1 0 324.385 0.963 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250129 291345274 /nfs/dbraw/zinc/34/52/74/291345274.db2.gz BLPWHJJWKLFCHB-TZMCWYRMSA-N 1 0 320.349 0.217 20 5 DCBDRO C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000567501441 291358786 /nfs/dbraw/zinc/35/87/86/291358786.db2.gz TVFBTGCFKTWSNZ-SNVBAGLBSA-N 1 0 314.367 0.610 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000567912981 291391393 /nfs/dbraw/zinc/39/13/93/291391393.db2.gz YWKVBPJDGYWGBW-MFKMUULPSA-N 1 0 308.338 0.891 20 5 DCBDRO CC(=O)c1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000569021431 291459108 /nfs/dbraw/zinc/45/91/08/291459108.db2.gz YSPHTQNQBSTVDX-AAEUAGOBSA-N 1 0 318.333 0.546 20 5 DCBDRO CN(CC(C)(C)C[NH3+])c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000093874753 193322328 /nfs/dbraw/zinc/32/23/28/193322328.db2.gz GMCSXHGDKRBLJM-UHFFFAOYSA-N 1 0 316.383 0.663 20 5 DCBDRO COc1ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000264791316 204157779 /nfs/dbraw/zinc/15/77/79/204157779.db2.gz XDAWKPIWLACQCE-CYBMUJFWSA-N 1 0 308.382 0.939 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC000104886792 194050476 /nfs/dbraw/zinc/05/04/76/194050476.db2.gz CSNRANOWSTURTE-UHFFFAOYSA-N 1 0 310.354 0.793 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000347427431 254156064 /nfs/dbraw/zinc/15/60/64/254156064.db2.gz LNBMXCBABCYNLE-LBPRGKRZSA-N 1 0 313.383 0.495 20 5 DCBDRO NC(=O)c1ccc(C[NH2+]C2(CO)CCOCC2)c([N+](=O)[O-])c1 ZINC000348314074 254231883 /nfs/dbraw/zinc/23/18/83/254231883.db2.gz HECJNHFDQOYWCW-UHFFFAOYSA-N 1 0 309.322 0.325 20 5 DCBDRO C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351525490 254343429 /nfs/dbraw/zinc/34/34/29/254343429.db2.gz SVKQANCVBDEYNZ-NSHDSACASA-N 1 0 324.312 0.835 20 5 DCBDRO O=c1nc([C@H]2CCC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH][nH]1 ZINC000289567370 221073905 /nfs/dbraw/zinc/07/39/05/221073905.db2.gz YGWJGUWWKQNUHG-VIFPVBQESA-N 1 0 307.314 0.082 20 5 DCBDRO C[N@@H+]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000026711501 395694418 /nfs/dbraw/zinc/69/44/18/395694418.db2.gz QRNZNAOZXYKRKI-CQSZACIVSA-N 1 0 309.366 0.972 20 5 DCBDRO C[NH+](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000109151225 395796222 /nfs/dbraw/zinc/79/62/22/395796222.db2.gz JNABEWOUIBYIRY-UHFFFAOYSA-N 1 0 304.310 0.467 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000053707103 395888490 /nfs/dbraw/zinc/88/84/90/395888490.db2.gz LPCVNSNSQWHTGD-UHFFFAOYSA-N 1 0 322.365 0.337 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000054266968 395896971 /nfs/dbraw/zinc/89/69/71/395896971.db2.gz WNWDZCLAJFXGLK-UHFFFAOYSA-N 1 0 315.351 0.634 20 5 DCBDRO COCC[NH2+]CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237166214 395905240 /nfs/dbraw/zinc/90/52/40/395905240.db2.gz PZAKEBCTZXPAQW-NSHDSACASA-N 1 0 323.353 0.239 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000245731579 395935430 /nfs/dbraw/zinc/93/54/30/395935430.db2.gz TZJCXHZYTLHITB-QWHCGFSZSA-N 1 0 323.349 0.659 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000151059849 395977809 /nfs/dbraw/zinc/97/78/09/395977809.db2.gz XGWNIAPUURSXOI-GFCCVEGCSA-N 1 0 322.369 0.575 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247967055 395980034 /nfs/dbraw/zinc/98/00/34/395980034.db2.gz GYWZUBYUBZCJPE-VXGBXAGGSA-N 1 0 307.354 0.734 20 5 DCBDRO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)C[NH+]1CCCC1 ZINC000151277556 395982900 /nfs/dbraw/zinc/98/29/00/395982900.db2.gz ZKUJJKSICPCZCR-GFCCVEGCSA-N 1 0 324.385 0.822 20 5 DCBDRO CC[NH2+]CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000151406002 395985127 /nfs/dbraw/zinc/98/51/27/395985127.db2.gz HABZQDQMDXIZDN-UHFFFAOYSA-N 1 0 304.310 0.515 20 5 DCBDRO Cc1c(NC(=O)CC[NH+](CCO)CCO)cccc1[N+](=O)[O-] ZINC000154918265 396044844 /nfs/dbraw/zinc/04/48/44/396044844.db2.gz YJJGEYIRATWJQX-UHFFFAOYSA-N 1 0 311.338 0.518 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000068203219 396048996 /nfs/dbraw/zinc/04/89/96/396048996.db2.gz CJHOLFRWFMGJAB-LLVKDONJSA-N 1 0 309.370 0.948 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261726263 396060199 /nfs/dbraw/zinc/06/01/99/396060199.db2.gz QPNAOPPWFRNCTI-MNOVXSKESA-N 1 0 311.363 0.825 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000262115772 396100646 /nfs/dbraw/zinc/10/06/46/396100646.db2.gz KDBLUCWBJCQOBT-ZDUSSCGKSA-N 1 0 308.338 0.311 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262298766 396119534 /nfs/dbraw/zinc/11/95/34/396119534.db2.gz ZSFNQRVYDHRAIP-JTQLQIEISA-N 1 0 301.306 0.954 20 5 DCBDRO C[NH2+]CCN(C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000261968428 396084808 /nfs/dbraw/zinc/08/48/08/396084808.db2.gz QARQMSOVWGSZIZ-UHFFFAOYSA-N 1 0 311.338 0.798 20 5 DCBDRO CC(C)(C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000262541125 396152915 /nfs/dbraw/zinc/15/29/15/396152915.db2.gz GCXANZYWNYOYGG-UHFFFAOYSA-N 1 0 315.351 0.465 20 5 DCBDRO Cn1c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000262564992 396155985 /nfs/dbraw/zinc/15/59/85/396155985.db2.gz WLESYDXMQATCMR-LLVKDONJSA-N 1 0 307.354 0.053 20 5 DCBDRO C[NH+](C)CCn1nnnc1SCCn1cc([N+](=O)[O-])cn1 ZINC000074783302 396172170 /nfs/dbraw/zinc/17/21/70/396172170.db2.gz KKJSJQRGFCJFQD-UHFFFAOYSA-N 1 0 312.359 0.132 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1N ZINC000178194806 396190792 /nfs/dbraw/zinc/19/07/92/396190792.db2.gz SNCVXSXVKMJWJB-NSHDSACASA-N 1 0 321.381 0.543 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178525190 396198532 /nfs/dbraw/zinc/19/85/32/396198532.db2.gz OTIKZVQICIMSOJ-MNOVXSKESA-N 1 0 320.349 0.520 20 5 DCBDRO C[N@@H+]1CCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1(C)C ZINC000281798993 396241312 /nfs/dbraw/zinc/24/13/12/396241312.db2.gz OTDPIFPTBNZEOZ-UHFFFAOYSA-N 1 0 310.358 0.074 20 5 DCBDRO C[NH+]1CCN(CCCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263979021 396247171 /nfs/dbraw/zinc/24/71/71/396247171.db2.gz JWPXMNAPQJYNME-UHFFFAOYSA-N 1 0 320.393 0.891 20 5 DCBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000183306749 396266643 /nfs/dbraw/zinc/26/66/43/396266643.db2.gz NPHFMPNLVNOMOT-JOYOIKCWSA-N 1 0 308.342 0.545 20 5 DCBDRO O=C(NCC1CC[NH+](CCO)CC1)Nc1ccncc1[N+](=O)[O-] ZINC000183580754 396271461 /nfs/dbraw/zinc/27/14/61/396271461.db2.gz CJOGMKYIZJGJKW-UHFFFAOYSA-N 1 0 323.353 0.816 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000183991033 396280003 /nfs/dbraw/zinc/28/00/03/396280003.db2.gz BENJHNKBBWXTGV-UHFFFAOYSA-N 1 0 311.338 0.647 20 5 DCBDRO C[C@@]1(C(N)=O)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874569 396227161 /nfs/dbraw/zinc/22/71/61/396227161.db2.gz ZTOGKQMDXZFWHR-IAQYHMDHSA-N 1 0 323.349 0.532 20 5 DCBDRO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000263798294 396232406 /nfs/dbraw/zinc/23/24/06/396232406.db2.gz SGTUCAZBEQRKSA-CYBMUJFWSA-N 1 0 320.393 0.889 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000286051793 396372181 /nfs/dbraw/zinc/37/21/81/396372181.db2.gz LIYPJZOUJRAGSE-IMSIIYSGSA-N 1 0 309.370 0.993 20 5 DCBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000189474781 396395649 /nfs/dbraw/zinc/39/56/49/396395649.db2.gz CUKBRYOZHKARJJ-LBPRGKRZSA-N 1 0 311.386 0.568 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193254209 396447395 /nfs/dbraw/zinc/44/73/95/396447395.db2.gz YQZJJDWNIFXIHW-SSDOTTSWSA-N 1 0 321.330 0.758 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193254194 396447444 /nfs/dbraw/zinc/44/74/44/396447444.db2.gz YQZJJDWNIFXIHW-ZETCQYMHSA-N 1 0 321.330 0.758 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289280904 396458248 /nfs/dbraw/zinc/45/82/48/396458248.db2.gz QBWIMMGUMYNNBJ-AWEZNQCLSA-N 1 0 307.354 0.702 20 5 DCBDRO C[C@@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171755 396491044 /nfs/dbraw/zinc/49/10/44/396491044.db2.gz VMVAHZOCEDOEHA-RISCZKNCSA-N 1 0 321.381 0.940 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)nc1 ZINC000595107860 396549195 /nfs/dbraw/zinc/54/91/95/396549195.db2.gz GQMDFFKNGVVBQM-ONGXEEELSA-N 1 0 312.351 0.362 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000595274837 396576088 /nfs/dbraw/zinc/57/60/88/396576088.db2.gz BFMOZJVNMHATMK-SNVBAGLBSA-N 1 0 308.338 0.975 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](N3CCOCC3)CC2)n1 ZINC000595471370 396613735 /nfs/dbraw/zinc/61/37/35/396613735.db2.gz ZYBPQVADGWFZOC-AWEZNQCLSA-N 1 0 323.397 0.978 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1COCCO1 ZINC000562988996 396691319 /nfs/dbraw/zinc/69/13/19/396691319.db2.gz VGYCNXHRTMDZAY-RYUDHWBXSA-N 1 0 312.322 0.340 20 5 DCBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CO)C[NH+](C)C)c1 ZINC000588864345 396696776 /nfs/dbraw/zinc/69/67/76/396696776.db2.gz FNSUQISMRKWBDO-SECBINFHSA-N 1 0 313.379 0.969 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000595981954 396702736 /nfs/dbraw/zinc/70/27/36/396702736.db2.gz HRGXPMGNNQXUAN-SECBINFHSA-N 1 0 318.337 0.822 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000563144492 396708193 /nfs/dbraw/zinc/70/81/93/396708193.db2.gz WTEPYCIGZTZFTE-HIFRSBDPSA-N 1 0 320.349 0.518 20 5 DCBDRO CC(C)[N@H+](C)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000596110479 396718695 /nfs/dbraw/zinc/71/86/95/396718695.db2.gz PSSYJIXIVPFBEH-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000304287183 396728816 /nfs/dbraw/zinc/72/88/16/396728816.db2.gz BBGXLUFHBKKQLX-DZGCQCFKSA-N 1 0 323.397 0.570 20 5 DCBDRO COc1ccc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000316414326 396796054 /nfs/dbraw/zinc/79/60/54/396796054.db2.gz BDRORXZFUVNBGJ-RNCFNFMXSA-N 1 0 309.322 0.792 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCCC[C@H]1O ZINC000305804323 396752901 /nfs/dbraw/zinc/75/29/01/396752901.db2.gz JAJLLMJNZXAFGO-KWCYVHTRSA-N 1 0 312.370 0.635 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000600232434 396765599 /nfs/dbraw/zinc/76/55/99/396765599.db2.gz PUWXITKBCSZCMS-NSHDSACASA-N 1 0 323.353 0.003 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000596416796 396770348 /nfs/dbraw/zinc/77/03/48/396770348.db2.gz DHLWEZOBRDLMMH-KBPBESRZSA-N 1 0 322.365 0.454 20 5 DCBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3[nH]ncc3[N+](=O)[O-])C2)CC1 ZINC000611205895 396834073 /nfs/dbraw/zinc/83/40/73/396834073.db2.gz GFQHQRJCVVVJDD-SNVBAGLBSA-N 1 0 322.369 0.216 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000317203901 396801533 /nfs/dbraw/zinc/80/15/33/396801533.db2.gz VFAWBHZNLCITKA-ZANVPECISA-N 1 0 308.338 0.242 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000320712053 396814699 /nfs/dbraw/zinc/81/46/99/396814699.db2.gz KMOPAIIGIBWIPL-UKRRQHHQSA-N 1 0 320.349 0.345 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000376113620 396877924 /nfs/dbraw/zinc/87/79/24/396877924.db2.gz LMVCEDBFLHUCIF-RYUDHWBXSA-N 1 0 307.354 0.700 20 5 DCBDRO COCC1CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000564857915 396884366 /nfs/dbraw/zinc/88/43/66/396884366.db2.gz QZJXWJRGHSTALC-ORHYLEIMSA-N 1 0 312.370 0.947 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000591294807 396896056 /nfs/dbraw/zinc/89/60/56/396896056.db2.gz ZSJRXIHHGBYCOD-UHFFFAOYSA-N 1 0 320.349 0.964 20 5 DCBDRO O=C([C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1)N1CC[NH2+]CC1 ZINC000591425687 396917469 /nfs/dbraw/zinc/91/74/69/396917469.db2.gz GCPBNRPBQJQEMB-GFCCVEGCSA-N 1 0 319.365 0.638 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC1CC[NH+](C2CC2)CC1 ZINC000618479982 396984262 /nfs/dbraw/zinc/98/42/62/396984262.db2.gz WXACDBUZKWIQKG-UHFFFAOYSA-N 1 0 308.342 0.177 20 5 DCBDRO CC1CCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591728111 396992256 /nfs/dbraw/zinc/99/22/56/396992256.db2.gz YIKAFQGKJLRUIK-AWEZNQCLSA-N 1 0 311.386 0.474 20 5 DCBDRO C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000591749123 396996591 /nfs/dbraw/zinc/99/65/91/396996591.db2.gz FFGHWQPVYWFFBQ-RISCZKNCSA-N 1 0 305.338 0.941 20 5 DCBDRO CCN1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591765764 397000437 /nfs/dbraw/zinc/00/04/37/397000437.db2.gz GLZQLQONCAVYRW-JSGCOSHPSA-N 1 0 323.349 0.545 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1C ZINC000601345758 397070195 /nfs/dbraw/zinc/07/01/95/397070195.db2.gz GAQHWVNIEDRBDD-QWRGUYRKSA-N 1 0 311.363 0.946 20 5 DCBDRO C[NH+](C)CCCS(=O)(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000601309889 397051009 /nfs/dbraw/zinc/05/10/09/397051009.db2.gz KKUZYHUKVHWLEB-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592367451 397161221 /nfs/dbraw/zinc/16/12/21/397161221.db2.gz VHMNPZABLFDMGK-LBPRGKRZSA-N 1 0 313.379 0.748 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364082607 397180380 /nfs/dbraw/zinc/18/03/80/397180380.db2.gz FZSJYJUWFXVXKL-VXGBXAGGSA-N 1 0 307.354 0.843 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000592369329 397162933 /nfs/dbraw/zinc/16/29/33/397162933.db2.gz PACNLOAYKGFERM-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO C[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000592370573 397163204 /nfs/dbraw/zinc/16/32/04/397163204.db2.gz SJFKSHDNUMPBMN-UWVGGRQHSA-N 1 0 314.367 0.738 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000592428651 397173684 /nfs/dbraw/zinc/17/36/84/397173684.db2.gz KWJWTNMAPRKPAI-ZUZCIYMTSA-N 1 0 323.349 0.914 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000592428494 397174089 /nfs/dbraw/zinc/17/40/89/397174089.db2.gz SZQFWGWPSCILGN-BDAKNGLRSA-N 1 0 324.337 0.784 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000592431976 397176691 /nfs/dbraw/zinc/17/66/91/397176691.db2.gz AJENWNBFQUEOHN-LDYMZIIASA-N 1 0 324.255 0.847 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364082605 397180728 /nfs/dbraw/zinc/18/07/28/397180728.db2.gz FZSJYJUWFXVXKL-NWDGAFQWSA-N 1 0 307.354 0.843 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475090 397185951 /nfs/dbraw/zinc/18/59/51/397185951.db2.gz NFUGBWMWWWPIPF-FZMZJTMJSA-N 1 0 322.365 0.971 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562127 397249625 /nfs/dbraw/zinc/24/96/25/397249625.db2.gz ULNQFPOCUBMZLJ-GFCCVEGCSA-N 1 0 322.369 0.425 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664529 397271137 /nfs/dbraw/zinc/27/11/37/397271137.db2.gz LWALMYIXIIFVPZ-LBPRGKRZSA-N 1 0 323.353 0.816 20 5 DCBDRO CN(CC(C)(C)[NH3+])C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598669206 397271993 /nfs/dbraw/zinc/27/19/93/397271993.db2.gz WUFPZSXDFQPDJF-UHFFFAOYSA-N 1 0 323.353 0.912 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000598914449 397307622 /nfs/dbraw/zinc/30/76/22/397307622.db2.gz DXIPWMCQYNTUKS-CABZTGNLSA-N 1 0 306.322 0.729 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000598914450 397307662 /nfs/dbraw/zinc/30/76/62/397307662.db2.gz DXIPWMCQYNTUKS-JOYOIKCWSA-N 1 0 306.322 0.729 20 5 DCBDRO [NH3+]CCC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000574392575 397261859 /nfs/dbraw/zinc/26/18/59/397261859.db2.gz ACZLXRXLDDAXHY-GFCCVEGCSA-N 1 0 318.337 0.783 20 5 DCBDRO O=c1[nH]ccc(N2CCC([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599106539 397337951 /nfs/dbraw/zinc/33/79/51/397337951.db2.gz VCQPPXRQDHNNAL-UHFFFAOYSA-N 1 0 308.338 0.996 20 5 DCBDRO COc1ccc(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000578113299 397391872 /nfs/dbraw/zinc/39/18/72/397391872.db2.gz BKXHLQUGYISBOO-YPMHNXCESA-N 1 0 305.334 0.966 20 5 DCBDRO NC(=O)c1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000578127200 397392941 /nfs/dbraw/zinc/39/29/41/397392941.db2.gz HPKZDOBBDCRRQP-CYBMUJFWSA-N 1 0 319.321 0.041 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593580180 397399748 /nfs/dbraw/zinc/39/97/48/397399748.db2.gz CYEKOZOTBQFVBX-UHFFFAOYSA-N 1 0 313.329 0.971 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000602773459 397480197 /nfs/dbraw/zinc/48/01/97/397480197.db2.gz TWWMVCBLAODCKS-ZIAGYGMSSA-N 1 0 323.397 0.631 20 5 DCBDRO CN1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CCC1=O ZINC000593994742 397490916 /nfs/dbraw/zinc/49/09/16/397490916.db2.gz IUHHOUCVQJEELS-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000602810617 397491996 /nfs/dbraw/zinc/49/19/96/397491996.db2.gz HFUREBDPJGOBEY-NWDGAFQWSA-N 1 0 311.386 0.487 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000602841192 397499738 /nfs/dbraw/zinc/49/97/38/397499738.db2.gz RGFSFIFAMZEOIC-TXEJJXNPSA-N 1 0 311.386 0.487 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599907440 397538787 /nfs/dbraw/zinc/53/87/87/397538787.db2.gz PAWVQBIAEFZHAL-NSHDSACASA-N 1 0 324.337 0.391 20 5 DCBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000579712930 397590078 /nfs/dbraw/zinc/59/00/78/397590078.db2.gz OATVRYNLVRLGFZ-PHIMTYICSA-N 1 0 305.338 0.376 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](C)CCN1C ZINC000609517074 397778690 /nfs/dbraw/zinc/77/86/90/397778690.db2.gz JJQFYRKTESVOMF-LBPRGKRZSA-N 1 0 321.381 0.612 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000070447623 158048033 /nfs/dbraw/zinc/04/80/33/158048033.db2.gz PTQJJIIOVQRIQL-SNVBAGLBSA-N 1 0 317.367 0.865 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cn3ccnn3)CC2)n1 ZINC000156125987 158352056 /nfs/dbraw/zinc/35/20/56/158352056.db2.gz DFVOPJDNDMEMBN-UHFFFAOYSA-N 1 0 305.342 0.795 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000165654694 158364944 /nfs/dbraw/zinc/36/49/44/158364944.db2.gz ZGLOIKDBYXVXQQ-NSHDSACASA-N 1 0 315.351 0.251 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261924459 158754044 /nfs/dbraw/zinc/75/40/44/158754044.db2.gz SATNOBWNXRIPGH-CQSZACIVSA-N 1 0 318.377 0.643 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000269269226 158905115 /nfs/dbraw/zinc/90/51/15/158905115.db2.gz LTGAPXBKXQDVLV-MFKMUULPSA-N 1 0 322.365 0.813 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000358124864 287205968 /nfs/dbraw/zinc/20/59/68/287205968.db2.gz LSXBNZGBUHBZEW-GFCCVEGCSA-N 1 0 308.338 0.501 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000422847128 287300862 /nfs/dbraw/zinc/30/08/62/287300862.db2.gz HKHZATHYRRHHDQ-GFCCVEGCSA-N 1 0 322.365 0.733 20 5 DCBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000332231153 415308329 /nfs/dbraw/zinc/30/83/29/415308329.db2.gz MNGJACBIEZGEPI-WDEREUQCSA-N 1 0 308.342 0.272 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277432227 415482484 /nfs/dbraw/zinc/48/24/84/415482484.db2.gz DUBIRMBQFIKHAQ-GFCCVEGCSA-N 1 0 307.354 0.924 20 5 DCBDRO COC[C@@](C)(CC(=O)OC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000088545913 415517525 /nfs/dbraw/zinc/51/75/25/415517525.db2.gz WODWJZJQXOQZHE-GFCCVEGCSA-N 1 0 300.315 0.349 20 5 DCBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000353373938 415522202 /nfs/dbraw/zinc/52/22/02/415522202.db2.gz UMXJQTZLMWUYTI-SECBINFHSA-N 1 0 319.387 0.607 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC([NH3+])(CC)CC)c([N+](=O)[O-])n1 ZINC000353374965 415523812 /nfs/dbraw/zinc/52/38/12/415523812.db2.gz ZLDMUPXVLBZOPP-UHFFFAOYSA-N 1 0 319.387 0.607 20 5 DCBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343637534 415667665 /nfs/dbraw/zinc/66/76/65/415667665.db2.gz BUJWBKROQZVVCQ-GFCCVEGCSA-N 1 0 322.365 0.747 20 5 DCBDRO COc1c(C(=O)NCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000353872839 415680478 /nfs/dbraw/zinc/68/04/78/415680478.db2.gz AENRCOMSGHGKGP-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO CCC[N@H+](CC)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343953329 415796784 /nfs/dbraw/zinc/79/67/84/415796784.db2.gz KHPDRJFIOBNXRN-UHFFFAOYSA-N 1 0 310.354 0.605 20 5 DCBDRO Cc1nc(NCCC[N@@H+]2CCC[C@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000297187551 415955413 /nfs/dbraw/zinc/95/54/13/415955413.db2.gz QLGAHXVTNAAACN-JTQLQIEISA-N 1 0 308.342 0.445 20 5 DCBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccs1 ZINC000338096314 416045228 /nfs/dbraw/zinc/04/52/28/416045228.db2.gz RMWIDXIONJAWSU-VIFPVBQESA-N 1 0 324.366 0.667 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000337746456 416004728 /nfs/dbraw/zinc/00/47/28/416004728.db2.gz UHDCENPMQNPLJQ-UHFFFAOYSA-N 1 0 324.385 0.084 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000298610746 416016797 /nfs/dbraw/zinc/01/67/97/416016797.db2.gz VEBLBFHYEIDIBM-VIFPVBQESA-N 1 0 324.337 0.608 20 5 DCBDRO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000358122239 416196176 /nfs/dbraw/zinc/19/61/76/416196176.db2.gz HKLIWJAWGOBLFD-LLVKDONJSA-N 1 0 308.338 0.583 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180813216 416201460 /nfs/dbraw/zinc/20/14/60/416201460.db2.gz HNSQQTXFFJTVIK-UHFFFAOYSA-N 1 0 310.354 0.875 20 5 DCBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330682983 416229900 /nfs/dbraw/zinc/22/99/00/416229900.db2.gz QPSDAECADPIJNC-LLVKDONJSA-N 1 0 310.358 0.423 20 5 DCBDRO C[NH+](C)CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000183362321 416240068 /nfs/dbraw/zinc/24/00/68/416240068.db2.gz SKWRDKXJGOQTJE-UHFFFAOYSA-N 1 0 301.368 0.618 20 5 DCBDRO CCO[C@H]1C[C@@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000189983005 416274339 /nfs/dbraw/zinc/27/43/39/416274339.db2.gz NLXDYSQTHLNXSD-FZMZJTMJSA-N 1 0 312.370 0.947 20 5 DCBDRO CO[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000359246695 416316408 /nfs/dbraw/zinc/31/64/08/416316408.db2.gz SXVVYFBCHIEKFN-JQWIXIFHSA-N 1 0 311.342 0.146 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000194873619 416324889 /nfs/dbraw/zinc/32/48/89/416324889.db2.gz GRSJPGJJRFIQCS-SECBINFHSA-N 1 0 322.321 0.746 20 5 DCBDRO CC[NH2+]Cc1ccccc1NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000428556050 287327532 /nfs/dbraw/zinc/32/75/32/287327532.db2.gz BGPJDKUKFSBLPU-UHFFFAOYSA-N 1 0 304.310 0.935 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419764760 416409635 /nfs/dbraw/zinc/40/96/35/416409635.db2.gz WSSHCPQDBJRDOJ-UHFFFAOYSA-N 1 0 308.338 0.197 20 5 DCBDRO CCN(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000532886341 416462726 /nfs/dbraw/zinc/46/27/26/416462726.db2.gz OEKLBVUKTOYSRT-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583984423 416491474 /nfs/dbraw/zinc/49/14/74/416491474.db2.gz GWUXNPAOAUJSHP-LLVKDONJSA-N 1 0 322.369 0.559 20 5 DCBDRO C[NH2+]CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435877002 416539635 /nfs/dbraw/zinc/53/96/35/416539635.db2.gz MORZLRWKRMKKNQ-UHFFFAOYSA-N 1 0 306.366 0.962 20 5 DCBDRO Cc1c(CC(=O)NC[C@@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000423701756 416543838 /nfs/dbraw/zinc/54/38/38/416543838.db2.gz ADWKGNUOULLPFT-ZDUSSCGKSA-N 1 0 307.350 0.940 20 5 DCBDRO CCOC(=O)c1cc(C(=O)NCC2C[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423478283 416515916 /nfs/dbraw/zinc/51/59/16/416515916.db2.gz KZJZGCOZEWHLEE-UHFFFAOYSA-N 1 0 307.306 0.721 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCC[NH+]1CCCCC1 ZINC000439056311 416605837 /nfs/dbraw/zinc/60/58/37/416605837.db2.gz NHTZYHPBSHLECH-UHFFFAOYSA-N 1 0 308.338 0.359 20 5 DCBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596058383 416576851 /nfs/dbraw/zinc/57/68/51/416576851.db2.gz GKMFEIQHRQKBPR-NSHDSACASA-N 1 0 309.370 1.341 20 5 DCBDRO [NH3+]C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423891742 416582979 /nfs/dbraw/zinc/58/29/79/416582979.db2.gz BTOAXFFKCCPUMF-ZDUSSCGKSA-N 1 0 303.322 0.650 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CC2(O)CCC2)cc1 ZINC000514857083 416680149 /nfs/dbraw/zinc/68/01/49/416680149.db2.gz VMKDDSDIESASFX-UHFFFAOYSA-N 1 0 314.363 0.873 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000440806538 416648940 /nfs/dbraw/zinc/64/89/40/416648940.db2.gz HXYZNSFWVOBFKP-BDAKNGLRSA-N 1 0 317.371 0.182 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000440846108 416650623 /nfs/dbraw/zinc/65/06/23/416650623.db2.gz KSFSFAVAGSOZRG-SECBINFHSA-N 1 0 315.351 0.491 20 5 DCBDRO CNc1ccc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000545156099 416663935 /nfs/dbraw/zinc/66/39/35/416663935.db2.gz GYXSAAANMHERJF-CQSZACIVSA-N 1 0 308.338 0.433 20 5 DCBDRO CC(C)C[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548407723 416688346 /nfs/dbraw/zinc/68/83/46/416688346.db2.gz AGYOBVVZDDYVJE-UHFFFAOYSA-N 1 0 307.354 0.986 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000551896273 416696568 /nfs/dbraw/zinc/69/65/68/416696568.db2.gz IMMJVHPXJAUOLK-JQWIXIFHSA-N 1 0 319.365 1.198 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425499863 416709705 /nfs/dbraw/zinc/70/97/05/416709705.db2.gz BRLQXHKZYZQGGA-LBPRGKRZSA-N 1 0 318.337 0.685 20 5 DCBDRO CC1(C)CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC[N@@H+]1CCO ZINC000614895546 416722866 /nfs/dbraw/zinc/72/28/66/416722866.db2.gz WESMWBIFNGWCCV-UHFFFAOYSA-N 1 0 324.337 0.224 20 5 DCBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000557463444 416736307 /nfs/dbraw/zinc/73/63/07/416736307.db2.gz SLHQDWHTHYEUDX-SNVBAGLBSA-N 1 0 307.354 1.246 20 5 DCBDRO CC[NH2+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429100439 287334656 /nfs/dbraw/zinc/33/46/56/287334656.db2.gz FTXAUIHWDLWQEM-SNVBAGLBSA-N 1 0 324.337 0.518 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)c1 ZINC000429304078 416963379 /nfs/dbraw/zinc/96/33/79/416963379.db2.gz XNYLPXUYODJMMR-YPMHNXCESA-N 1 0 318.333 0.615 20 5 DCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000428747009 416922435 /nfs/dbraw/zinc/92/24/35/416922435.db2.gz VMHDOJHUSJDEFH-LBPRGKRZSA-N 1 0 309.370 0.948 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000429032093 416944301 /nfs/dbraw/zinc/94/43/01/416944301.db2.gz WFAVJCYGXUNWSH-GHMZBOCLSA-N 1 0 324.385 0.634 20 5 DCBDRO O=C(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000520799582 416976954 /nfs/dbraw/zinc/97/69/54/416976954.db2.gz PKCZVFIQVUFUIZ-CYBMUJFWSA-N 1 0 323.349 0.450 20 5 DCBDRO CC(C)Oc1nc(NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000565666889 417006423 /nfs/dbraw/zinc/00/64/23/417006423.db2.gz OJLAIISECICKTA-UHFFFAOYSA-N 1 0 323.397 1.436 20 5 DCBDRO O=C(C[NH2+][C@H](CO)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447903645 417038755 /nfs/dbraw/zinc/03/87/55/417038755.db2.gz NRPPFMRYFRDGDM-DGCLKSJQSA-N 1 0 309.322 0.663 20 5 DCBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNS(C)(=O)=O ZINC000449057955 417119424 /nfs/dbraw/zinc/11/94/24/417119424.db2.gz FRSSAHFYQVMWGZ-JTQLQIEISA-N 1 0 301.368 0.665 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431504162 417127510 /nfs/dbraw/zinc/12/75/10/417127510.db2.gz DLACGCYRRQLEFP-UHFFFAOYSA-N 1 0 324.385 0.732 20 5 DCBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCn2ccc([N+](=O)[O-])n2)cnn1C ZINC000431935892 417151615 /nfs/dbraw/zinc/15/16/15/417151615.db2.gz HSYSXZPLWYMTPR-GXTWGEPZSA-N 1 0 320.353 0.953 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000449694859 417165535 /nfs/dbraw/zinc/16/55/35/417165535.db2.gz HKSWZICYKDGDTO-SNVBAGLBSA-N 1 0 318.337 0.105 20 5 DCBDRO CC(C)([NH3+])CNCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000415079355 417328992 /nfs/dbraw/zinc/32/89/92/417328992.db2.gz JYVXJJDHNHIFDP-UHFFFAOYSA-N 1 0 316.383 0.200 20 5 DCBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CNCCO1 ZINC000415092221 417329013 /nfs/dbraw/zinc/32/90/13/417329013.db2.gz FQLJBQYWQAFTQI-FZMZJTMJSA-N 1 0 322.365 0.890 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415357705 417373986 /nfs/dbraw/zinc/37/39/86/417373986.db2.gz JBLRWUNMUGFKGS-NSHDSACASA-N 1 0 320.349 0.957 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000579255426 417690168 /nfs/dbraw/zinc/69/01/68/417690168.db2.gz FWHJSWMUHRRUOY-SECBINFHSA-N 1 0 305.338 0.998 20 5 DCBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000532375593 417676350 /nfs/dbraw/zinc/67/63/50/417676350.db2.gz HDDHNSNRLPDZCH-UHFFFAOYSA-N 1 0 324.381 0.898 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000183998228 261117733 /nfs/dbraw/zinc/11/77/33/261117733.db2.gz UHMSBXQJKTYDJD-UHFFFAOYSA-N 1 0 311.338 0.647 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000367830141 262142227 /nfs/dbraw/zinc/14/22/27/262142227.db2.gz AJMZXMFZNAMIPF-IUCAKERBSA-N 1 0 303.315 0.573 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370788604 262151408 /nfs/dbraw/zinc/15/14/08/262151408.db2.gz RUZVQMCFYLHHKL-UHFFFAOYSA-N 1 0 320.349 0.500 20 5 DCBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCC(=O)N1CC[NH2+]CC1 ZINC000390516844 262160210 /nfs/dbraw/zinc/16/02/10/262160210.db2.gz SSSMEEUHZNLGIA-PLNGDYQASA-N 1 0 318.333 0.156 20 5 DCBDRO COc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000394078923 262161875 /nfs/dbraw/zinc/16/18/75/262161875.db2.gz ZKZVMRUAHAEFQK-NSHDSACASA-N 1 0 308.338 0.237 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417913658 262264913 /nfs/dbraw/zinc/26/49/13/262264913.db2.gz QHBZNNYFHOHLMB-CMPLNLGQSA-N 1 0 310.358 0.703 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418480418 262278697 /nfs/dbraw/zinc/27/86/97/262278697.db2.gz CKCZTKJKZGBWNO-NSHDSACASA-N 1 0 322.369 0.416 20 5 DCBDRO COCC[NH2+]CCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418497678 262279154 /nfs/dbraw/zinc/27/91/54/262279154.db2.gz KPZRGEVLCNDICS-UHFFFAOYSA-N 1 0 322.365 0.899 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418919655 262298105 /nfs/dbraw/zinc/29/81/05/262298105.db2.gz GESLOTRDSBPWBJ-LLVKDONJSA-N 1 0 322.365 0.225 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419152936 262313533 /nfs/dbraw/zinc/31/35/33/262313533.db2.gz OVZVFYDSEIVULG-QWRGUYRKSA-N 1 0 320.349 0.640 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419156444 262314155 /nfs/dbraw/zinc/31/41/55/262314155.db2.gz VERLUTDIBIZUHT-LLVKDONJSA-N 1 0 322.365 0.888 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419157784 262314553 /nfs/dbraw/zinc/31/45/53/262314553.db2.gz WQRJHCUMWWXERM-ZYHUDNBSSA-N 1 0 322.365 0.872 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000419980216 262355182 /nfs/dbraw/zinc/35/51/82/262355182.db2.gz QTLBOJKCZSSPKD-NSHDSACASA-N 1 0 322.365 0.525 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420144697 262363822 /nfs/dbraw/zinc/36/38/22/262363822.db2.gz NRMOLNJACQJACE-LLVKDONJSA-N 1 0 322.365 0.320 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCO[C@@H](C[NH3+])C1 ZINC000420394517 262373236 /nfs/dbraw/zinc/37/32/36/262373236.db2.gz RUOOIYOJBSBJEE-ZDUSSCGKSA-N 1 0 322.365 0.891 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420463871 262374590 /nfs/dbraw/zinc/37/45/90/262374590.db2.gz UJUFEBUODYEUOZ-LBPRGKRZSA-N 1 0 313.379 0.890 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000358655969 271063901 /nfs/dbraw/zinc/06/39/01/271063901.db2.gz YUNQDWFJHABFEG-HNNXBMFYSA-N 1 0 322.365 0.503 20 5 DCBDRO CO[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C[NH3+])C1 ZINC000359230026 271107795 /nfs/dbraw/zinc/10/77/95/271107795.db2.gz OYUIAHORMAPQKR-VHSXEESVSA-N 1 0 308.338 0.755 20 5 DCBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000419044463 271268882 /nfs/dbraw/zinc/26/88/82/271268882.db2.gz UEVMDMNEICXEAM-LBPRGKRZSA-N 1 0 320.349 0.203 20 5 DCBDRO C[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419266731 271281018 /nfs/dbraw/zinc/28/10/18/271281018.db2.gz HNAYJGLVXRDYFD-JTQLQIEISA-N 1 0 308.338 0.416 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420440190 271369596 /nfs/dbraw/zinc/36/95/96/271369596.db2.gz NHARSGSULUHAJB-RNFRBKRXSA-N 1 0 321.330 0.757 20 5 DCBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420442045 271370612 /nfs/dbraw/zinc/37/06/12/271370612.db2.gz DKUOJUXHAVBZBV-SNVBAGLBSA-N 1 0 301.368 0.746 20 5 DCBDRO C[C@@H](CN1CCOCC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420579630 271373776 /nfs/dbraw/zinc/37/37/76/271373776.db2.gz BJARQFFFUPVGSM-JTQLQIEISA-N 1 0 308.338 0.826 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422823982 271386380 /nfs/dbraw/zinc/38/63/80/271386380.db2.gz FSOQCVKLGIKANW-JTQLQIEISA-N 1 0 322.365 0.605 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000422830745 271388659 /nfs/dbraw/zinc/38/86/59/271388659.db2.gz RRNLPDFKYKJGKK-LLVKDONJSA-N 1 0 320.349 0.453 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)CC[NH3+] ZINC000424064711 271397035 /nfs/dbraw/zinc/39/70/35/271397035.db2.gz WJWXNFLGKVUYOL-JTQLQIEISA-N 1 0 322.365 0.957 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000424127501 271397803 /nfs/dbraw/zinc/39/78/03/271397803.db2.gz PZGSNVFOBUNSKY-QWHCGFSZSA-N 1 0 318.333 0.226 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429216865 271452994 /nfs/dbraw/zinc/45/29/94/271452994.db2.gz DWARZUHLOOXDBS-VIFPVBQESA-N 1 0 309.322 0.951 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492602131 272136486 /nfs/dbraw/zinc/13/64/86/272136486.db2.gz HAGKCAMBGIEBME-XHPSBEMXSA-N 1 0 305.334 0.791 20 5 DCBDRO CNC(=O)C[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515055740 272415994 /nfs/dbraw/zinc/41/59/94/272415994.db2.gz ZPEWACNPKNHQHO-ZYHUDNBSSA-N 1 0 311.338 0.449 20 5 DCBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(CO)COC2)n1 ZINC000517215500 272461814 /nfs/dbraw/zinc/46/18/14/272461814.db2.gz PFIYTFXHTOGMGS-NEPJUHHUSA-N 1 0 310.354 0.874 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237455120 274215433 /nfs/dbraw/zinc/21/54/33/274215433.db2.gz FLXBHHDCJSSNIK-QMMMGPOBSA-N 1 0 304.306 0.856 20 5 DCBDRO C[C@@H](CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000451931002 274224808 /nfs/dbraw/zinc/22/48/08/274224808.db2.gz OGJYVSIRRUSLKG-JTQLQIEISA-N 1 0 301.368 0.964 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000342707507 277125102 /nfs/dbraw/zinc/12/51/02/277125102.db2.gz STPBRYODZDQITJ-NWDGAFQWSA-N 1 0 306.322 0.213 20 5 DCBDRO CNC(=O)c1ccc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000153154164 277259383 /nfs/dbraw/zinc/25/93/83/277259383.db2.gz FMFXIHFFJDCXIH-ZIAGYGMSSA-N 1 0 320.349 0.474 20 5 DCBDRO CCc1ccnc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000564864556 288779818 /nfs/dbraw/zinc/77/98/18/288779818.db2.gz PDHSTYJCOFTUOE-AWEZNQCLSA-N 1 0 305.338 0.899 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000157644958 522055117 /nfs/dbraw/zinc/05/51/17/522055117.db2.gz VFPVUTVJSALFGV-VIFPVBQESA-N 1 0 317.342 0.964 20 5 DCBDRO C[C@H]1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000237567421 524528561 /nfs/dbraw/zinc/52/85/61/524528561.db2.gz JSZUSFRMMGUNIU-JTQLQIEISA-N 1 0 316.321 0.609 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237543689 524855688 /nfs/dbraw/zinc/85/56/88/524855688.db2.gz UCGJGHIQONTEDD-CMPLNLGQSA-N 1 0 308.338 0.485 20 5 DCBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247226974 525694781 /nfs/dbraw/zinc/69/47/81/525694781.db2.gz CZVSPKSRGVHIHU-JFGNBEQYSA-N 1 0 300.384 0.978 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000189386227 525796764 /nfs/dbraw/zinc/79/67/64/525796764.db2.gz AWCVYXUOEUFISW-IUODEOHRSA-N 1 0 309.366 0.627 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[NH+](CC2CC2)CC1 ZINC000161663143 526468228 /nfs/dbraw/zinc/46/82/28/526468228.db2.gz BZLJULNLIWTVFV-UHFFFAOYSA-N 1 0 322.369 0.529 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000267007674 526713751 /nfs/dbraw/zinc/71/37/51/526713751.db2.gz QSRQZLPGTPTSKI-UHFFFAOYSA-N 1 0 308.338 0.860 20 5 DCBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])n[nH]2)ccc1=O ZINC000285487293 535935434 /nfs/dbraw/zinc/93/54/34/535935434.db2.gz ACRMPTNTXOEYMT-UHFFFAOYSA-N 1 0 320.309 0.294 20 5 DCBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000340225130 536419076 /nfs/dbraw/zinc/41/90/76/536419076.db2.gz GIAMNSSONZLJLM-DGCLKSJQSA-N 1 0 309.322 0.155 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCOC2CCC2)CC1 ZINC000981138197 661085481 /nfs/dbraw/zinc/08/54/81/661085481.db2.gz PLWZLYNYEJHFIP-ZIAGYGMSSA-N 1 0 311.382 0.755 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120114192 657502636 /nfs/dbraw/zinc/50/26/36/657502636.db2.gz RWSGNEDVKBHTEG-JTQLQIEISA-N 1 0 323.396 0.247 20 5 DCBDRO CCn1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001025779004 659554392 /nfs/dbraw/zinc/55/43/92/659554392.db2.gz ZAVXJALCVYMFPS-RGDJUOJXSA-N 1 0 319.365 0.115 20 5 DCBDRO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000261841133 661744783 /nfs/dbraw/zinc/74/47/83/661744783.db2.gz VQNRBGPZLLBAGB-QMMMGPOBSA-N 1 0 303.340 0.490 20 5 DCBDRO COc1cc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000178904470 661839054 /nfs/dbraw/zinc/83/90/54/661839054.db2.gz RYLLMKZIOJREBC-SECBINFHSA-N 1 0 315.351 0.573 20 5 DCBDRO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC000983649750 661996750 /nfs/dbraw/zinc/99/67/50/661996750.db2.gz RFWJGAYGRONKOG-FPQZTECRSA-N 1 0 308.338 0.633 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000895009927 662042927 /nfs/dbraw/zinc/04/29/27/662042927.db2.gz HVPQYDAXAFMMCW-OAHLLOKOSA-N 1 0 323.349 0.884 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1C[N@H+](C)CCN1C ZINC000896575912 662294232 /nfs/dbraw/zinc/29/42/32/662294232.db2.gz DBWCXKGYBAPGSH-ZYHUDNBSSA-N 1 0 309.370 0.297 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000899729621 663183442 /nfs/dbraw/zinc/18/34/42/663183442.db2.gz LVLKGNQYDFYFDZ-UHFFFAOYSA-N 1 0 313.379 0.727 20 5 DCBDRO COc1cc(C[NH2+]CC[N+](=O)[O-])ccc1OCC(=O)N(C)C ZINC000899869849 663195407 /nfs/dbraw/zinc/19/54/07/663195407.db2.gz BEGZHJVIDHIUHE-UHFFFAOYSA-N 1 0 311.338 0.529 20 5 DCBDRO CC[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000910289193 663865405 /nfs/dbraw/zinc/86/54/05/663865405.db2.gz QJFRFBCZLDBRDT-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000911879030 664118684 /nfs/dbraw/zinc/11/86/84/664118684.db2.gz KJBBNLHROZIIRB-RBSFLKMASA-N 1 0 318.377 0.800 20 5 DCBDRO COc1cc(C(=O)N(C)CC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC000912606170 664193003 /nfs/dbraw/zinc/19/30/03/664193003.db2.gz AGPXIBPGOYBXCF-UHFFFAOYSA-N 1 0 311.338 0.600 20 5 DCBDRO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000912813237 664231581 /nfs/dbraw/zinc/23/15/81/664231581.db2.gz HCHJVTDDEPBHKP-NWDGAFQWSA-N 1 0 324.385 0.765 20 5 DCBDRO O=C1OC[C@]2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000865768206 667344974 /nfs/dbraw/zinc/34/49/74/667344974.db2.gz DYSGBHMZMDAYPJ-AWEZNQCLSA-N 1 0 307.306 0.906 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@@H](O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000737397635 667601647 /nfs/dbraw/zinc/60/16/47/667601647.db2.gz BMNUHSIADGVYSP-SECBINFHSA-N 1 0 312.326 0.501 20 5 DCBDRO Cn1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000885860188 667712920 /nfs/dbraw/zinc/71/29/20/667712920.db2.gz HFVHPCXNJIRNEO-GFCCVEGCSA-N 1 0 322.365 0.916 20 5 DCBDRO CC[NH+](CC)CC(=O)N1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000103461678 667748723 /nfs/dbraw/zinc/74/87/23/667748723.db2.gz QQUZBZPNQLHAQP-UHFFFAOYSA-N 1 0 324.385 0.235 20 5 DCBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000886591436 667780023 /nfs/dbraw/zinc/78/00/23/667780023.db2.gz UQKFLKAWFKCZAU-LLVKDONJSA-N 1 0 310.358 0.375 20 5 DCBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886837640 667804675 /nfs/dbraw/zinc/80/46/75/667804675.db2.gz KZVPCMMVSVZUOU-LBPRGKRZSA-N 1 0 302.338 0.870 20 5 DCBDRO CC[C@@H]1COCCN1CCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000871760394 667847504 /nfs/dbraw/zinc/84/75/04/667847504.db2.gz KZIAYBASEBEPDS-LLVKDONJSA-N 1 0 310.354 0.774 20 5 DCBDRO Cn1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232057 667898166 /nfs/dbraw/zinc/89/81/66/667898166.db2.gz QBIUBCDSESKHCG-WDEREUQCSA-N 1 0 308.338 0.526 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747232250 667898245 /nfs/dbraw/zinc/89/82/45/667898245.db2.gz VLICREXRJNZNHZ-CMPLNLGQSA-N 1 0 308.338 0.526 20 5 DCBDRO COC(=O)C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000754511498 668046743 /nfs/dbraw/zinc/04/67/43/668046743.db2.gz AWTZKUIPVQIBRH-NEPJUHHUSA-N 1 0 312.326 0.084 20 5 DCBDRO COC(=O)C[C@@]1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000767033106 668556793 /nfs/dbraw/zinc/55/67/93/668556793.db2.gz SPFPUCYPWCUBFB-ZFWWWQNUSA-N 1 0 324.333 0.940 20 5 DCBDRO CC(C)OCCCNC(=O)C1CC[NH+](CC[N+](=O)[O-])CC1 ZINC000929267551 668670653 /nfs/dbraw/zinc/67/06/53/668670653.db2.gz DDBCROQCWDQYJR-UHFFFAOYSA-N 1 0 301.387 0.906 20 5 DCBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)C1(O)CCOCC1 ZINC000930442182 669019299 /nfs/dbraw/zinc/01/92/99/669019299.db2.gz VGLUJOZHZVVXMA-OAHLLOKOSA-N 1 0 324.377 0.972 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3C[C@H](F)C[NH2+]3)CC2)cn1 ZINC000883419227 669683142 /nfs/dbraw/zinc/68/31/42/669683142.db2.gz FTAYTHBFIXBNIW-RYUDHWBXSA-N 1 0 309.345 0.812 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[NH2+]CC2)c1C ZINC000884015006 669811957 /nfs/dbraw/zinc/81/19/57/669811957.db2.gz FIMWJXFZNMVDRH-UHFFFAOYSA-N 1 0 306.366 0.847 20 5 DCBDRO CC(C)[C@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[NH+](C)C ZINC000803496683 670251247 /nfs/dbraw/zinc/25/12/47/670251247.db2.gz FMUHAPCQBCQNEU-CYBMUJFWSA-N 1 0 311.338 0.886 20 5 DCBDRO O=C(CC[NH2+]C(CO)CO)Nc1cc([N+](=O)[O-])ccc1F ZINC000846937541 670503578 /nfs/dbraw/zinc/50/35/78/670503578.db2.gz GOEADWICUYAYQR-UHFFFAOYSA-N 1 0 301.274 0.005 20 5 DCBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000850594443 670921989 /nfs/dbraw/zinc/92/19/89/670921989.db2.gz RENSJOCDRVAXFR-QMMMGPOBSA-N 1 0 305.331 0.929 20 5 DCBDRO CN(C[C@@H](O)C[NH3+])C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857766512 670945570 /nfs/dbraw/zinc/94/55/70/670945570.db2.gz RZYDWBKEMMRCBG-VIFPVBQESA-N 1 0 319.264 0.344 20 5 DCBDRO O=C(NCC1C[NH2+]C1)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857766212 670945886 /nfs/dbraw/zinc/94/58/86/670945886.db2.gz YTAVPRCBMHNPIO-UHFFFAOYSA-N 1 0 301.249 0.902 20 5 DCBDRO O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840372862 671092351 /nfs/dbraw/zinc/09/23/51/671092351.db2.gz SJMRNQGVAQATJU-FMKPAKJESA-N 1 0 319.361 0.405 20 5 DCBDRO Cc1ncc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1 ZINC000819180026 671100829 /nfs/dbraw/zinc/10/08/29/671100829.db2.gz SBZVGTBHMAXVRN-LLVKDONJSA-N 1 0 311.367 0.749 20 5 DCBDRO O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840392954 671132621 /nfs/dbraw/zinc/13/26/21/671132621.db2.gz BFHNMUWOEYJXHM-RBSFLKMASA-N 1 0 319.361 0.187 20 5 DCBDRO C[NH2+]CCc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC000823116023 671370490 /nfs/dbraw/zinc/37/04/90/671370490.db2.gz PAOCRFKFMQGOEY-UHFFFAOYSA-N 1 0 319.321 0.599 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000827328268 671522788 /nfs/dbraw/zinc/52/27/88/671522788.db2.gz DKJFOPMLRVCLGG-YPMHNXCESA-N 1 0 320.349 0.309 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827340072 671523421 /nfs/dbraw/zinc/52/34/21/671523421.db2.gz XMGVKGMWFYTQLO-GHMZBOCLSA-N 1 0 307.354 0.803 20 5 DCBDRO COC(=O)Cc1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000827431055 671527388 /nfs/dbraw/zinc/52/73/88/671527388.db2.gz ZDLUJHUUDQFUOY-RYUDHWBXSA-N 1 0 305.334 0.966 20 5 DCBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000830790801 671640757 /nfs/dbraw/zinc/64/07/57/671640757.db2.gz DNAOILFYKNMXML-CQSZACIVSA-N 1 0 305.334 0.935 20 5 DCBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000832021913 671697704 /nfs/dbraw/zinc/69/77/04/671697704.db2.gz UYIWILKFBDTMJW-ZDUSSCGKSA-N 1 0 311.317 0.656 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000833336562 671747125 /nfs/dbraw/zinc/74/71/25/671747125.db2.gz FOOUOSQLBLFPCR-IACUBPJLSA-N 1 0 305.334 0.791 20 5 DCBDRO O=C(NCC1C[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841964532 671969681 /nfs/dbraw/zinc/96/96/81/671969681.db2.gz HMWGVFYQWVUMPZ-UHFFFAOYSA-N 1 0 319.365 0.646 20 5 DCBDRO Cc1cc(C(=O)N2CCCO[C@H](C[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000842508696 672015141 /nfs/dbraw/zinc/01/51/41/672015141.db2.gz CYBNAYUCGOVGTI-SNVBAGLBSA-N 1 0 308.338 0.675 20 5 DCBDRO [NH3+]CCCCCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842921019 672047214 /nfs/dbraw/zinc/04/72/14/672047214.db2.gz WACMWHZCVYWEBZ-UHFFFAOYSA-N 1 0 302.356 0.787 20 5 DCBDRO COc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001566454200 1159986666 /nfs/dbraw/zinc/98/66/66/1159986666.db2.gz ZHNAYVZALYKLGE-VXGBXAGGSA-N 1 0 323.353 0.089 20 5 DCBDRO C[N@H+](CCNC(=O)C(C)(C)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001567286579 1160296032 /nfs/dbraw/zinc/29/60/32/1160296032.db2.gz OQNAZXZIKMGTAH-UHFFFAOYSA-N 1 0 322.365 0.654 20 5 DCBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001573960060 1163603601 /nfs/dbraw/zinc/60/36/01/1163603601.db2.gz CQOLVQQUEYPZMM-HIFRSBDPSA-N 1 0 323.349 0.857 20 5 DCBDRO C[C@@]1(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]C1 ZINC001576534623 1164381685 /nfs/dbraw/zinc/38/16/85/1164381685.db2.gz HNKYOLBBYNUXST-UKRRQHHQSA-N 1 0 318.333 0.956 20 5 DCBDRO CN(C(=O)c1cn(CCC[NH3+])nn1)c1ccc([N+](=O)[O-])cc1 ZINC001578391944 1164997307 /nfs/dbraw/zinc/99/73/07/1164997307.db2.gz WIJKSOZRTGDMHO-UHFFFAOYSA-N 1 0 304.310 0.812 20 5 DCBDRO CN1CCOC[C@H]1CNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001578539640 1165052784 /nfs/dbraw/zinc/05/27/84/1165052784.db2.gz BXHBKHOISZWOMT-UKRRQHHQSA-N 1 0 322.365 0.216 20 5 DCBDRO COc1cc(OCC(=O)N[C@@H]2C[NH2+]CC23CC3)ccc1[N+](=O)[O-] ZINC001579170772 1165229974 /nfs/dbraw/zinc/22/99/74/1165229974.db2.gz CSWROCWBMJODFD-CYBMUJFWSA-N 1 0 321.333 0.850 20 5 DCBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001579181066 1165232412 /nfs/dbraw/zinc/23/24/12/1165232412.db2.gz VZVGIHCVULMYNQ-LKFCYVNXSA-N 1 0 322.321 0.563 20 5 DCBDRO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H]3C[NH2+]C[C@H]3OC)c2c1 ZINC001579259438 1165250673 /nfs/dbraw/zinc/25/06/73/1165250673.db2.gz MCHJIXZWTZHQAC-TZMCWYRMSA-N 1 0 318.333 0.972 20 5 DCBDRO C[C@@H](NC(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC001579410892 1165302856 /nfs/dbraw/zinc/30/28/56/1165302856.db2.gz DVLDKHGSHMQHPB-IRUJWGPZSA-N 1 0 308.338 0.535 20 5 DCBDRO Cc1ccc(CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)cc1[N+](=O)[O-] ZINC001579696203 1165378072 /nfs/dbraw/zinc/37/80/72/1165378072.db2.gz DOTGEYDKQWAHBH-IUODEOHRSA-N 1 0 305.334 0.755 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001580009738 1165471633 /nfs/dbraw/zinc/47/16/33/1165471633.db2.gz ZITGKZXNAABCSY-GFCCVEGCSA-N 1 0 315.333 0.773 20 5 DCBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 ZINC001580151237 1165519825 /nfs/dbraw/zinc/51/98/25/1165519825.db2.gz SPDOBDBMQLLZFF-UHFFFAOYSA-N 1 0 311.363 0.900 20 5 DCBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)[NH+](C)C ZINC001580288269 1165559308 /nfs/dbraw/zinc/55/93/08/1165559308.db2.gz QRXNPOJTMAIRNB-ZETCQYMHSA-N 1 0 306.330 0.719 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001580841212 1165732706 /nfs/dbraw/zinc/73/27/06/1165732706.db2.gz YHTUOFKEPZKZBP-AWEZNQCLSA-N 1 0 304.306 0.133 20 5 DCBDRO O=[N+]([O-])c1cccc(CN(C2CC2)S(=O)(=O)C2C[NH2+]C2)c1 ZINC001580876026 1165748362 /nfs/dbraw/zinc/74/83/62/1165748362.db2.gz XHQPGMUTZTVXGS-UHFFFAOYSA-N 1 0 311.363 0.861 20 5 DCBDRO Nc1ncc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC001583990105 1166298829 /nfs/dbraw/zinc/29/88/29/1166298829.db2.gz XJDLDIJIDHXBPS-QWRGUYRKSA-N 1 0 321.337 0.165 20 5 DCBDRO C[C@H]1[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001590177352 1166800356 /nfs/dbraw/zinc/80/03/56/1166800356.db2.gz CYTOPMBJDVJWRQ-IONNQARKSA-N 1 0 304.314 0.674 20 5 DCBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590213244 1166814567 /nfs/dbraw/zinc/81/45/67/1166814567.db2.gz CWEVBALGIUIPJI-BDAKNGLRSA-N 1 0 304.310 0.730 20 5 DCBDRO C[N@H+]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001591196728 1167147828 /nfs/dbraw/zinc/14/78/28/1167147828.db2.gz XYUJFHASBPXOBT-DTORHVGOSA-N 1 0 316.325 0.168 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2[nH+]c(C)[nH]c2C)c1 ZINC001613479624 1171367591 /nfs/dbraw/zinc/36/75/91/1171367591.db2.gz SCXJHHGJCGAEJF-UHFFFAOYSA-N 1 0 306.278 0.931 20 5 DCBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1N=NC(=O)N1C ZINC001621418975 1171409897 /nfs/dbraw/zinc/40/98/97/1171409897.db2.gz AZQHSAQFIZJTLF-AFPNSQJFSA-N 1 0 307.314 0.680 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC001622218684 1171419307 /nfs/dbraw/zinc/41/93/07/1171419307.db2.gz BBXUOXAMRNGVCL-SECBINFHSA-N 1 0 317.371 0.041 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC001623488857 1171438733 /nfs/dbraw/zinc/43/87/33/1171438733.db2.gz PRYCBVUWNVXOJM-GHMZBOCLSA-N 1 0 323.353 0.092 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1CCC(O)CC1 ZINC001624293433 1171453038 /nfs/dbraw/zinc/45/30/38/1171453038.db2.gz DZURZVYTOXWDNP-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001635934898 1171718761 /nfs/dbraw/zinc/71/87/61/1171718761.db2.gz GUHYFZJLWWVXKW-JTQLQIEISA-N 1 0 306.322 0.501 20 5 DCBDRO C[C@H]1CN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC001640239945 1171872545 /nfs/dbraw/zinc/87/25/45/1171872545.db2.gz MMYVGOTUSNFVGB-UWVGGRQHSA-N 1 0 323.353 0.411 20 5 DCBDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001643410136 1171975183 /nfs/dbraw/zinc/97/51/83/1171975183.db2.gz GOOWTFZWQONJGG-GFCCVEGCSA-N 1 0 320.349 0.604 20 5 DCBDRO O=C(CC[N@H+]1C[C@H](CO)[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001644246797 1171999704 /nfs/dbraw/zinc/99/97/04/1171999704.db2.gz RMPRZLILDDNMLZ-TXEJJXNPSA-N 1 0 323.349 0.456 20 5 DCBDRO COC(=O)[C@]1(O)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001644291446 1172002907 /nfs/dbraw/zinc/00/29/07/1172002907.db2.gz HDASIFONVOXIEP-JSGCOSHPSA-N 1 0 310.306 0.238 20 5 DCBDRO CONC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001648240504 1173070041 /nfs/dbraw/zinc/07/00/41/1173070041.db2.gz HZYVIFQCICPXHH-UHFFFAOYSA-N 1 0 324.337 0.146 20 5 DCBDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001654291527 1173803952 /nfs/dbraw/zinc/80/39/52/1173803952.db2.gz VUNNSVHJYLXTKQ-ABAIWWIYSA-N 1 0 323.349 0.741 20 5 DCBDRO COc1ccc2ncc([N+](=O)[O-])c(N[C@@H](CO)C[NH+](C)C)c2c1 ZINC001655534124 1173822869 /nfs/dbraw/zinc/82/28/69/1173822869.db2.gz CTHPEDVNNGPZEK-SNVBAGLBSA-N 1 0 320.349 0.908 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC001659623290 1173934682 /nfs/dbraw/zinc/93/46/82/1173934682.db2.gz ZIWMSABCOMVEHR-CFVMTHIKSA-N 1 0 310.350 0.693 20 5 DCBDRO Cn1ncc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001663296267 1174284437 /nfs/dbraw/zinc/28/44/37/1174284437.db2.gz LJNGGKVYUPMAQG-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO CN1C[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001671961201 1175048414 /nfs/dbraw/zinc/04/84/14/1175048414.db2.gz YYYMDBJQBIHCIF-SNVBAGLBSA-N 1 0 314.367 0.608 20 5 DCBDRO C[N@H+](CCCNC(=O)c1cn[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001689813266 1177070346 /nfs/dbraw/zinc/07/03/46/1177070346.db2.gz IWWHWGJAXWNHOD-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO CC(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159785555 1180566519 /nfs/dbraw/zinc/56/65/19/1180566519.db2.gz HPAGJKZJBRFOHH-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CCNC(N)=O ZINC001714790696 1181547466 /nfs/dbraw/zinc/54/74/66/1181547466.db2.gz PIFLMBZAJHOKLB-UHFFFAOYSA-N 1 0 323.353 0.201 20 5 DCBDRO CCn1cc(CC[N@H+](C)CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001753853110 1188664642 /nfs/dbraw/zinc/66/46/42/1188664642.db2.gz LPPXFNGLNSKTGM-ZIAGYGMSSA-N 1 0 323.397 0.501 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC001164671895 719397060 /nfs/dbraw/zinc/39/70/60/719397060.db2.gz ZJQJOOLKTUDQGS-NXEZZACHSA-N 1 0 314.729 0.401 20 5 DCBDRO Cc1nc(Cl)nc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c1[N+](=O)[O-] ZINC001167184609 747013222 /nfs/dbraw/zinc/01/32/22/747013222.db2.gz WHTTUMCBJNFDLI-JVHMLUBASA-N 1 0 313.745 0.757 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(C)c([N+](=O)[O-])c(OC)n1 ZINC001167895305 748468871 /nfs/dbraw/zinc/46/88/71/748468871.db2.gz ITUAYZBFGZIFOV-MRVPVSSYSA-N 1 0 313.314 0.394 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(Br)cn1 ZINC001225557443 748693007 /nfs/dbraw/zinc/69/30/07/748693007.db2.gz FXYLNXNUCOSYRX-SECBINFHSA-N 1 0 319.179 0.602 20 5 DCBDRO Cn1cnc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001126677885 749595882 /nfs/dbraw/zinc/59/58/82/749595882.db2.gz GPUNAXALEDRQQW-UHFFFAOYSA-N 1 0 304.310 0.243 20 5 DCBDRO Cc1nnc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC001126912273 750114235 /nfs/dbraw/zinc/11/42/35/750114235.db2.gz HFQKKGFTSCIHHI-UHFFFAOYSA-N 1 0 318.337 0.470 20 5 DCBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001097096101 755595819 /nfs/dbraw/zinc/59/58/19/755595819.db2.gz HJQIMUIBNHDNJP-MGCOHNPYSA-N 1 0 323.353 0.706 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083200 759693444 /nfs/dbraw/zinc/69/34/44/759693444.db2.gz QQIHLIUECOUBIP-GJQVQUKXSA-N 1 0 322.340 0.870 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cnns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363233 760101464 /nfs/dbraw/zinc/10/14/64/760101464.db2.gz IYYOMYRIVNHTAT-YJFSRANCSA-N 1 0 311.367 0.188 20 5 DCBDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N1CCOCC1 ZINC001168986155 760529753 /nfs/dbraw/zinc/52/97/53/760529753.db2.gz WQPLWXFDSJMBMO-MJBXVCDLSA-N 1 0 313.398 0.905 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2nc(CC[NH3+])nc2C)c1 ZINC001168989742 760547333 /nfs/dbraw/zinc/54/73/33/760547333.db2.gz SIGADRDSJWBIMP-UHFFFAOYSA-N 1 0 305.294 0.772 20 5 DCBDRO O=C(Cn1cccn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123515274 767992380 /nfs/dbraw/zinc/99/23/80/767992380.db2.gz KJEXPGLYGVQWJG-UHFFFAOYSA-N 1 0 303.322 0.697 20 5 DCBDRO [NH3+]CCc1nnn(-c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)n1 ZINC001156985167 761636064 /nfs/dbraw/zinc/63/60/64/761636064.db2.gz TVSXWAULPJLRNA-UHFFFAOYSA-N 1 0 320.700 0.668 20 5 DCBDRO O=C(CNC(=O)C1CC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124089075 768124786 /nfs/dbraw/zinc/12/47/86/768124786.db2.gz RWLJZUJCZASPLK-UHFFFAOYSA-N 1 0 320.349 0.327 20 5 DCBDRO CN(CCNC(=O)C1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cn1 ZINC001100298489 763469637 /nfs/dbraw/zinc/46/96/37/763469637.db2.gz OZXWFTSAOCFXGC-UHFFFAOYSA-N 1 0 321.381 0.884 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001170566185 763846553 /nfs/dbraw/zinc/84/65/53/763846553.db2.gz XJFAWOFEQCXYJX-KCJUWKMLSA-N 1 0 310.310 0.565 20 5 DCBDRO O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170775055 765700591 /nfs/dbraw/zinc/70/05/91/765700591.db2.gz XVDZIOMQQWOVTA-YUMQZZPRSA-N 1 0 313.745 0.908 20 5 DCBDRO O=[N+]([O-])c1c(Br)ccnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170780593 765739360 /nfs/dbraw/zinc/73/93/60/765739360.db2.gz HJXZBHCDOZLFDZ-HTRCEHHLSA-N 1 0 317.143 0.745 20 5 DCBDRO CN(CC[NH3+])CCNc1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001159438181 765846582 /nfs/dbraw/zinc/84/65/82/765846582.db2.gz DABMPSAWEWLSFH-UHFFFAOYSA-N 1 0 309.157 0.994 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cc1NC ZINC001170867797 766167855 /nfs/dbraw/zinc/16/78/55/766167855.db2.gz KMDOTOPGMSQFEV-MWLCHTKSSA-N 1 0 309.326 0.595 20 5 DCBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159670103 766187899 /nfs/dbraw/zinc/18/78/99/766187899.db2.gz BSKODWJMOGNPFD-UHNVWZDZSA-N 1 0 308.125 0.684 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001118037455 766203083 /nfs/dbraw/zinc/20/30/83/766203083.db2.gz CPZAPUXTNAHYOK-NXEZZACHSA-N 1 0 308.338 0.544 20 5 DCBDRO [NH3+]C[C@H](NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1)C1CC1 ZINC001118049204 766208818 /nfs/dbraw/zinc/20/88/18/766208818.db2.gz TULPJRAJNLWZDI-ZDUSSCGKSA-N 1 0 318.333 0.291 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001136216744 766261426 /nfs/dbraw/zinc/26/14/26/766261426.db2.gz XPVIMYAMFKXLHZ-UHFFFAOYSA-N 1 0 314.430 0.966 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC001119633294 766755985 /nfs/dbraw/zinc/75/59/85/766755985.db2.gz LIEMQGGXCKOURB-UHFFFAOYSA-N 1 0 322.340 0.806 20 5 DCBDRO CC(C)N1CCC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001120511149 767051552 /nfs/dbraw/zinc/05/15/52/767051552.db2.gz GRVXYVAMNCLGBA-OCCSQVGLSA-N 1 0 311.386 0.615 20 5 DCBDRO CC(C)(C)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001120596724 767089199 /nfs/dbraw/zinc/08/91/99/767089199.db2.gz JJFXXDYYSCDDRT-WCQYABFASA-N 1 0 311.386 0.615 20 5 DCBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC[C@H]([NH2+]CCO)C1 ZINC001122173977 767733237 /nfs/dbraw/zinc/73/32/37/767733237.db2.gz MEDNCARNTAAUCN-NSHDSACASA-N 1 0 311.313 0.920 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC001122201341 767739675 /nfs/dbraw/zinc/73/96/75/767739675.db2.gz ZEJFQAOWYWREJN-UHFFFAOYSA-N 1 0 324.356 0.688 20 5 DCBDRO C[NH+](C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001093193307 768483214 /nfs/dbraw/zinc/48/32/14/768483214.db2.gz HYZKTCOKYSMRQN-UHFFFAOYSA-N 1 0 307.354 0.590 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2c(cc1O)C=NCC2 ZINC001230920279 768912349 /nfs/dbraw/zinc/91/23/49/768912349.db2.gz KXBGYKNYWIYPIT-CYBMUJFWSA-O 1 0 307.370 0.730 20 5 DCBDRO O=C1CO[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172912331 769521235 /nfs/dbraw/zinc/52/12/35/769521235.db2.gz NELZHOJMYLVQSX-ZFWWWQNUSA-N 1 0 319.361 0.947 20 5 DCBDRO COC(=O)CC[C@H]([NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173226671 769567570 /nfs/dbraw/zinc/56/75/70/769567570.db2.gz YPESZSHKWJXNDR-MFKMUULPSA-N 1 0 323.349 0.923 20 5 DCBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)n1 ZINC001154765700 770287872 /nfs/dbraw/zinc/28/78/72/770287872.db2.gz GTBHPNWHSGLCRA-UHFFFAOYSA-N 1 0 308.747 0.676 20 5 DCBDRO C[NH+](C)C[C@@H]1COCCN1c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001154978698 770357747 /nfs/dbraw/zinc/35/77/47/770357747.db2.gz UBUBJXLXSYDBQL-SNVBAGLBSA-N 1 0 316.745 0.648 20 5 DCBDRO Cc1cc(N[C@@H]2COC[C@@H]2[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001155354183 770475816 /nfs/dbraw/zinc/47/58/16/770475816.db2.gz AEZVUPLHDBBBNY-QWHCGFSZSA-N 1 0 315.333 0.920 20 5 DCBDRO COc1ncnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001155527638 770535209 /nfs/dbraw/zinc/53/52/09/770535209.db2.gz MZKMIPLQDBHTAB-OPRDCNLKSA-N 1 0 309.326 0.430 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001178455790 770757830 /nfs/dbraw/zinc/75/78/30/770757830.db2.gz LIVRNGXQQWEOFX-GFCCVEGCSA-N 1 0 320.349 0.453 20 5 DCBDRO Cc1[nH]ccc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001156355687 770794326 /nfs/dbraw/zinc/79/43/26/770794326.db2.gz DHQYEICJMVTNOH-UHFFFAOYSA-N 1 0 320.353 0.875 20 5 DCBDRO COC(=O)C1(Nc2ncnc(OC)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156535288 770848931 /nfs/dbraw/zinc/84/89/31/770848931.db2.gz AWFCVDUHEUURKI-UHFFFAOYSA-N 1 0 311.298 0.101 20 5 DCBDRO [NH3+]CCc1nnn(-c2nc(Cl)nc(Cl)c2[N+](=O)[O-])n1 ZINC001156985105 770990856 /nfs/dbraw/zinc/99/08/56/770990856.db2.gz QLKBUWQDPCOTAG-UHFFFAOYSA-N 1 0 305.085 0.169 20 5 DCBDRO CCOC(=O)c1ccnc(NC(=N)NCCCC[NH3+])c1[N+](=O)[O-] ZINC001157101279 771536033 /nfs/dbraw/zinc/53/60/33/771536033.db2.gz DCTREIWEJSIZKP-UHFFFAOYSA-N 1 0 324.341 0.842 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H]2C[NH2+]CC[C@H]2F)n1 ZINC001157451915 771612013 /nfs/dbraw/zinc/61/20/13/771612013.db2.gz UPUWDIKXKPFMQP-BDAKNGLRSA-N 1 0 312.305 0.764 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH3+])[C@@H]2C)n1 ZINC001157748240 771663404 /nfs/dbraw/zinc/66/34/04/771663404.db2.gz UCNPDCVUYLTTOF-WPRPVWTQSA-N 1 0 308.342 0.968 20 5 DCBDRO O=C(NCCC[NH2+]Cc1noc2c1CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760305 771664452 /nfs/dbraw/zinc/66/44/52/771664452.db2.gz BEWOBEKXMJSSNM-DGCLKSJQSA-N 1 0 322.365 0.815 20 5 DCBDRO Cc1cc(C)n(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157767377 771665708 /nfs/dbraw/zinc/66/57/08/771665708.db2.gz LQLAJVKGIBFHCA-CHWSQXEVSA-N 1 0 309.370 0.261 20 5 DCBDRO CC(C)n1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157775667 771670724 /nfs/dbraw/zinc/67/07/24/771670724.db2.gz VKAKQMWTSHMNRX-CHWSQXEVSA-N 1 0 309.370 0.725 20 5 DCBDRO COC(=O)c1cnc(NC(=N)N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001157914338 771692088 /nfs/dbraw/zinc/69/20/88/771692088.db2.gz CERNVCZFSOGGCL-UHFFFAOYSA-N 1 0 322.325 0.370 20 5 DCBDRO COc1nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc(OC)c1[N+](=O)[O-] ZINC001157986967 771707651 /nfs/dbraw/zinc/70/76/51/771707651.db2.gz BTPCGIQGEKGNHM-QMMMGPOBSA-N 1 0 320.309 0.404 20 5 DCBDRO Nc1cc(-n2nnc(-c3cccc(C[NH3+])c3)n2)ncc1[N+](=O)[O-] ZINC001158043738 771719111 /nfs/dbraw/zinc/71/91/11/771719111.db2.gz USACADMKPBMZKL-UHFFFAOYSA-N 1 0 312.293 0.673 20 5 DCBDRO Nc1cc(N2CCO[C@@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158309579 771757694 /nfs/dbraw/zinc/75/76/94/771757694.db2.gz NVORGAPNWWOQGA-NSHDSACASA-N 1 0 307.354 0.873 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001158634158 771796933 /nfs/dbraw/zinc/79/69/33/771796933.db2.gz DCQHWAKDMAZNMN-YGRLFVJLSA-N 1 0 321.337 0.303 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC([N@H+](C)[C@H]3CCOC3)C2)n1 ZINC001158731228 771815819 /nfs/dbraw/zinc/81/58/19/771815819.db2.gz IEBJLHIVMVIHEL-JTQLQIEISA-N 1 0 323.353 0.611 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC3(C2)CCC[NH2+]C3)n1 ZINC001159025447 771849813 /nfs/dbraw/zinc/84/98/13/771849813.db2.gz UVTZGOLQVPBGGE-UHFFFAOYSA-N 1 0 320.353 0.841 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001159497581 771919344 /nfs/dbraw/zinc/91/93/44/771919344.db2.gz IYKXGENFYZQMTQ-JOYOIKCWSA-N 1 0 324.337 0.955 20 5 DCBDRO COC(=O)c1cnc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001159499662 771920224 /nfs/dbraw/zinc/92/02/24/771920224.db2.gz UORMEALZGIACEJ-GZMMTYOYSA-N 1 0 310.310 0.565 20 5 DCBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1nn(C)cc1[N+](=O)[O-] ZINC001187391261 772185710 /nfs/dbraw/zinc/18/57/10/772185710.db2.gz LLOYKSJMDDHSQA-UHFFFAOYSA-N 1 0 309.370 0.877 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(C[NH3+])cnc1=N ZINC001161415861 772220194 /nfs/dbraw/zinc/22/01/94/772220194.db2.gz OKWASHCPPMOUCE-UHFFFAOYSA-N 1 0 318.293 0.290 20 5 DCBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cccc2ncc([N+](=O)[O-])n21 ZINC001162103313 772325999 /nfs/dbraw/zinc/32/59/99/772325999.db2.gz XWEJCAGJMYXLDI-NSHDSACASA-N 1 0 304.354 0.948 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N(CC[NH3+])S(C)(=O)=O ZINC001162128617 772329980 /nfs/dbraw/zinc/32/99/80/772329980.db2.gz IJEOSAHWKJMORK-UHFFFAOYSA-N 1 0 317.323 0.106 20 5 DCBDRO O=C1C[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCCN1 ZINC001162453041 772375749 /nfs/dbraw/zinc/37/57/49/772375749.db2.gz CDIFKIVJANZFPM-SECBINFHSA-N 1 0 306.326 0.152 20 5 DCBDRO O=[N+]([O-])c1c(N[C@H]2CCC[C@H]2CO)ncnc1N1CC[NH2+]CC1 ZINC001162602872 772396296 /nfs/dbraw/zinc/39/62/96/772396296.db2.gz RTMAVPSYTGMVHH-QWRGUYRKSA-N 1 0 322.369 0.367 20 5 DCBDRO CS(=O)(=O)c1ccc(N[C@@H]2COC[C@@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001162926051 772433271 /nfs/dbraw/zinc/43/32/71/772433271.db2.gz JZDZIMFMQAZRJI-WCBMZHEXSA-N 1 0 301.324 0.136 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001162971365 772437555 /nfs/dbraw/zinc/43/75/55/772437555.db2.gz FCDUWXLJOCPWGO-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO Nc1ccnc(NCc2nnc3n2CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001163016948 772444938 /nfs/dbraw/zinc/44/49/38/772444938.db2.gz OTUNWQIEHLRXRH-UHFFFAOYSA-N 1 0 304.314 0.269 20 5 DCBDRO COC(=O)c1cc(C)nc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1[N+](=O)[O-] ZINC001163197479 772480836 /nfs/dbraw/zinc/48/08/36/772480836.db2.gz WZLQWJAVVORBJV-YMTOWFKASA-N 1 0 322.321 0.628 20 5 DCBDRO COc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc([N+](=O)[O-])c1C ZINC001163254938 772494022 /nfs/dbraw/zinc/49/40/22/772494022.db2.gz VQFYEYILWRXAOI-TZMCWYRMSA-N 1 0 306.322 0.902 20 5 DCBDRO NC(=O)c1nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001163307228 772503594 /nfs/dbraw/zinc/50/35/94/772503594.db2.gz XBBFPWNABAJVJX-XPTSAGLGSA-N 1 0 321.337 0.412 20 5 DCBDRO O=[N+]([O-])c1c(N2CC(F)(C3CC3)C2)ncnc1N1CC[NH2+]CC1 ZINC001163968695 772600242 /nfs/dbraw/zinc/60/02/42/772600242.db2.gz ZHDSZKUJPJSIMN-UHFFFAOYSA-N 1 0 322.344 0.733 20 5 DCBDRO Cc1cc(C[NH3+])nn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001163980515 772601250 /nfs/dbraw/zinc/60/12/50/772601250.db2.gz XLWSSLRSLRUYEN-UHFFFAOYSA-N 1 0 319.325 0.174 20 5 DCBDRO CN(c1nccc2c1cccc2[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164288408 772637230 /nfs/dbraw/zinc/63/72/30/772637230.db2.gz OTTDCUIVBGZFKX-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO CCOc1cc([N+](=O)[O-])ccc1N(C)S(=O)(=O)CC[NH3+] ZINC001164296768 772640603 /nfs/dbraw/zinc/64/06/03/772640603.db2.gz PAGCCQJEAVTXLD-UHFFFAOYSA-N 1 0 303.340 0.718 20 5 DCBDRO Nc1nc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC001164303006 772642573 /nfs/dbraw/zinc/64/25/73/772642573.db2.gz NCBNISDBLYUZIE-VHSXEESVSA-N 1 0 308.342 0.002 20 5 DCBDRO COc1nc(N2CCC[C@@H]2C[NH+](C)C)nc(OC)c1[N+](=O)[O-] ZINC001165072840 772693927 /nfs/dbraw/zinc/69/39/27/772693927.db2.gz OXARHLPTCPQJID-SECBINFHSA-N 1 0 311.342 0.932 20 5 DCBDRO [NH3+][C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]1O ZINC001165147202 772700762 /nfs/dbraw/zinc/70/07/62/772700762.db2.gz HPGVQPDQWDEHPC-FSPLSTOPSA-N 1 0 308.672 0.696 20 5 DCBDRO COc1nc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001165151456 772701454 /nfs/dbraw/zinc/70/14/54/772701454.db2.gz UZCKJFNQNCQFPV-DTORHVGOSA-N 1 0 309.326 0.400 20 5 DCBDRO O=C1CN(c2ncc(F)cc2[N+](=O)[O-])CC2(CC[NH2+]CC2)N1 ZINC001165252760 772711365 /nfs/dbraw/zinc/71/13/65/772711365.db2.gz PSJFZCXQTZTCAI-UHFFFAOYSA-N 1 0 309.301 0.187 20 5 DCBDRO Cc1nc(Cl)nc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165269399 772713640 /nfs/dbraw/zinc/71/36/40/772713640.db2.gz KTBBONUHRYVDCX-IUCAKERBSA-N 1 0 313.745 0.914 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001165441318 772738696 /nfs/dbraw/zinc/73/86/96/772738696.db2.gz CLFTYVUJINVITQ-JTQLQIEISA-N 1 0 305.294 0.422 20 5 DCBDRO O=C1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CC1 ZINC001165464768 772740536 /nfs/dbraw/zinc/74/05/36/772740536.db2.gz PAXWSCVHJAYYRH-UHFFFAOYSA-N 1 0 320.353 0.354 20 5 DCBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ncc([N+](=O)[O-])cc1N ZINC001166704075 772844816 /nfs/dbraw/zinc/84/48/16/772844816.db2.gz YOZXNOCNKSRTDI-SNVBAGLBSA-N 1 0 301.310 0.662 20 5 DCBDRO CS(=O)(=O)N(c1nccc(Cl)c1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166968240 772892640 /nfs/dbraw/zinc/89/26/40/772892640.db2.gz RXYMHUQRABLGHU-UHFFFAOYSA-N 1 0 306.731 0.381 20 5 DCBDRO CS(=O)(=O)N(c1ccc2[nH]cc([N+](=O)[O-])c2n1)C1C[NH2+]C1 ZINC001166968218 772892877 /nfs/dbraw/zinc/89/28/77/772892877.db2.gz KPBFALFIMIJYMR-UHFFFAOYSA-N 1 0 311.323 0.209 20 5 DCBDRO CN(C)C(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001195115869 773328286 /nfs/dbraw/zinc/32/82/86/773328286.db2.gz WXLNRTHQWKYDCM-NSHDSACASA-N 1 0 308.338 0.167 20 5 DCBDRO CNC(=O)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001195307811 773374185 /nfs/dbraw/zinc/37/41/85/773374185.db2.gz YFLCIDZLTWNLRZ-VXGBXAGGSA-N 1 0 323.349 0.402 20 5 DCBDRO CC[N@H+](C)[C@H]1CCN(S(=O)(=O)c2ncccc2[N+](=O)[O-])C1 ZINC001214102680 773926437 /nfs/dbraw/zinc/92/64/37/773926437.db2.gz FEDBDORYMSSEHD-JTQLQIEISA-N 1 0 314.367 0.705 20 5 DCBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[NH2+]C1 ZINC001218285023 774220404 /nfs/dbraw/zinc/22/04/04/774220404.db2.gz AWUSEUYICWCFGW-SECBINFHSA-N 1 0 301.324 0.373 20 5 DCBDRO CC(=O)Nc1nc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cs1 ZINC001222878836 775435288 /nfs/dbraw/zinc/43/52/88/775435288.db2.gz OTHCABVNLKZWRB-LLVKDONJSA-O 1 0 316.403 0.602 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(-n2nccn2)cc1 ZINC001224194976 775545384 /nfs/dbraw/zinc/54/53/84/775545384.db2.gz KNTYGCLCYFTTTM-OAHLLOKOSA-N 1 0 319.385 0.768 20 5 DCBDRO CO[C@H]1O[C@H](COCCC[N+](C)(C)C)[C@H]2OC(C)(C)O[C@H]21 ZINC001224623306 775590299 /nfs/dbraw/zinc/59/02/99/775590299.db2.gz LWLQWCRVHGGMLH-SYQHCUMBSA-N 1 0 304.407 0.991 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]CCC(F)(F)F ZINC001272162023 941760104 /nfs/dbraw/zinc/76/01/04/941760104.db2.gz FGCAXWLTSHMUTI-RKDXNWHRSA-N 1 0 313.276 0.015 20 5 DCBDRO CN(CC[NH2+]Cc1cnn(C(C)(C)C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493544903 942641080 /nfs/dbraw/zinc/64/10/80/942641080.db2.gz JQLJCTSGIYNPBE-CHWSQXEVSA-N 1 0 323.397 0.851 20 5 DCBDRO O=C(NCC1([NH2+]CCc2ccns2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484634577 943482872 /nfs/dbraw/zinc/48/28/72/943482872.db2.gz NJHQRIWZIVWBOL-VXGBXAGGSA-N 1 0 324.406 0.979 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3C[NH2+]C[C@H]3CO)CC2)cc1 ZINC001246300203 945379989 /nfs/dbraw/zinc/37/99/89/945379989.db2.gz QFBMJQKVCSZKEB-LRDDRELGSA-N 1 0 320.393 0.734 20 5 DCBDRO COc1ccc(C[C@H](C)N2C[C@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246587949 945437852 /nfs/dbraw/zinc/43/78/52/945437852.db2.gz XALICRNAWAAAKH-WBIUFABUSA-N 1 0 309.366 0.786 20 5 DCBDRO C[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]CC[C@H]1O ZINC001247751832 945571751 /nfs/dbraw/zinc/57/17/51/945571751.db2.gz MHKQSOOMPIXFLO-RNCFNFMXSA-N 1 0 323.284 0.791 20 5 DCBDRO O=[N+]([O-])c1ncn(Cc2nc([C@@H]3C[NH+]4CCC3CC4)no2)n1 ZINC001320325808 945824293 /nfs/dbraw/zinc/82/42/93/945824293.db2.gz BGWVSGPOYIPBRL-SECBINFHSA-N 1 0 305.298 0.427 20 5 DCBDRO CN1CCN(C(=[NH2+])N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254574581 946409727 /nfs/dbraw/zinc/40/97/27/946409727.db2.gz IYBQAZNPIBTCIO-ZDUSSCGKSA-N 1 0 303.366 0.834 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCOCCOCCO)C2 ZINC001254581822 946412477 /nfs/dbraw/zinc/41/24/77/946412477.db2.gz NHCCYDNMLQEZCU-CQSZACIVSA-N 1 0 310.350 0.677 20 5 DCBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001322682477 946769205 /nfs/dbraw/zinc/76/92/05/946769205.db2.gz XFWGLPLUZQOHML-OLZOCXBDSA-N 1 0 324.385 0.963 20 5 DCBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001322846390 946834228 /nfs/dbraw/zinc/83/42/28/946834228.db2.gz QMHPFGOAJUFFEM-GFCCVEGCSA-N 1 0 322.365 0.605 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001261476281 947311212 /nfs/dbraw/zinc/31/12/12/947311212.db2.gz OXOYBCHFPGNBEC-UHFFFAOYSA-N 1 0 308.338 0.562 20 5 DCBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001263155637 947814914 /nfs/dbraw/zinc/81/49/14/947814914.db2.gz AZVJCVHMTLBWQR-JTQLQIEISA-N 1 0 323.374 0.934 20 5 DCBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001263155681 947815211 /nfs/dbraw/zinc/81/52/11/947815211.db2.gz CPONTNCDJSOIOH-GFCCVEGCSA-N 1 0 305.334 0.775 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001325695528 947883779 /nfs/dbraw/zinc/88/37/79/947883779.db2.gz JHWSTYGQQAHKDV-NSHDSACASA-N 1 0 322.365 0.888 20 5 DCBDRO [NH3+]Cc1ccccc1CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001326246597 948107249 /nfs/dbraw/zinc/10/72/49/948107249.db2.gz XRNOZGHCFROFTA-UHFFFAOYSA-N 1 0 303.322 0.957 20 5 DCBDRO O=C(C1CC[NH2+]CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326353161 948137863 /nfs/dbraw/zinc/13/78/63/948137863.db2.gz LMHXVVLPHWRGKW-UHFFFAOYSA-N 1 0 307.354 0.954 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC001326358420 948138150 /nfs/dbraw/zinc/13/81/50/948138150.db2.gz GVXBHJYCDMHWSK-UHFFFAOYSA-N 1 0 307.354 0.508 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC001328202918 948742580 /nfs/dbraw/zinc/74/25/80/948742580.db2.gz HKQPODBPDIWULC-UHFFFAOYSA-N 1 0 307.354 0.934 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001328731978 949060910 /nfs/dbraw/zinc/06/09/10/949060910.db2.gz GTUCHEKKDYBGEI-GHMZBOCLSA-N 1 0 322.365 0.886 20 5 DCBDRO CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC001329109154 949361908 /nfs/dbraw/zinc/36/19/08/949361908.db2.gz SUEMDSYQZPICFG-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001329823813 949900137 /nfs/dbraw/zinc/90/01/37/949900137.db2.gz ONXDVHLWRNATAW-ZJUUUORDSA-N 1 0 308.338 0.496 20 5 DCBDRO O=C(NC[C@@H]1COCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330010428 950056193 /nfs/dbraw/zinc/05/61/93/950056193.db2.gz UNXQVOJRFHVXDG-GFCCVEGCSA-N 1 0 306.322 0.608 20 5 DCBDRO COCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001330487330 950448919 /nfs/dbraw/zinc/44/89/19/950448919.db2.gz WHUOXOUQZDGNTM-CHWSQXEVSA-N 1 0 311.382 0.613 20 5 DCBDRO C[NH+](C)CCONC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001330819142 950687042 /nfs/dbraw/zinc/68/70/42/950687042.db2.gz JWBGWGMWNXLVDJ-UHFFFAOYSA-N 1 0 324.337 0.324 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001331731493 951277275 /nfs/dbraw/zinc/27/72/75/951277275.db2.gz NZOFNOXHJKOIMW-JTQLQIEISA-N 1 0 308.338 0.059 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001335498421 952546511 /nfs/dbraw/zinc/54/65/11/952546511.db2.gz FMXSSGSAHFVIHZ-BBHBSTQDSA-N 1 0 302.281 0.786 20 5 DCBDRO Nc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001339610134 953105904 /nfs/dbraw/zinc/10/59/04/953105904.db2.gz LSOQQMWEVIANBL-LLVKDONJSA-N 1 0 307.354 0.731 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340863618 953200589 /nfs/dbraw/zinc/20/05/89/953200589.db2.gz UYRLFWPCKZVFJW-BFHYXJOUSA-N 1 0 307.350 0.737 20 5 DCBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[NH2+]C1 ZINC001342280220 953280601 /nfs/dbraw/zinc/28/06/01/953280601.db2.gz XIFAOSMCKQAEJO-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC001346015860 953786780 /nfs/dbraw/zinc/78/67/80/953786780.db2.gz XFAUWKQIDASAPS-UHFFFAOYSA-N 1 0 321.381 0.614 20 5 DCBDRO COc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001346532701 953913709 /nfs/dbraw/zinc/91/37/09/953913709.db2.gz USJAFPACSCAAHQ-ZWNOBZJWSA-N 1 0 320.349 0.930 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346567637 953920303 /nfs/dbraw/zinc/92/03/03/953920303.db2.gz YSWUQINAUIJPHZ-ABAIWWIYSA-N 1 0 316.361 0.825 20 5 DCBDRO Cn1cc(CC[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001283041398 953946852 /nfs/dbraw/zinc/94/68/52/953946852.db2.gz NBVBXKQWIFPUSW-AAVRWANBSA-N 1 0 321.381 0.112 20 5 DCBDRO Cc1cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC001348695584 954431788 /nfs/dbraw/zinc/43/17/88/954431788.db2.gz DXWAHXQOHUPRAT-LLVKDONJSA-N 1 0 306.322 0.662 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)CC1 ZINC001350729380 955175368 /nfs/dbraw/zinc/17/53/68/955175368.db2.gz WSYYYLBXVRMLRR-UHFFFAOYSA-N 1 0 322.340 0.806 20 5 DCBDRO C[C@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001353230578 955984493 /nfs/dbraw/zinc/98/44/93/955984493.db2.gz DAMHNZYXSDIIFY-VHSXEESVSA-N 1 0 322.325 0.209 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC001355028932 956582365 /nfs/dbraw/zinc/58/23/65/956582365.db2.gz WCMYAXYPSOPDJV-UHFFFAOYSA-N 1 0 322.365 0.385 20 5 DCBDRO C[C@@H](c1nnc(N2CCN([C@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001355415611 956646324 /nfs/dbraw/zinc/64/63/24/956646324.db2.gz KOHHEZDDRCPRDN-QWRGUYRKSA-N 1 0 310.358 0.064 20 5 DCBDRO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001293743925 957422477 /nfs/dbraw/zinc/42/24/77/957422477.db2.gz FPFKVPCNAPNOHO-YGRLFVJLSA-N 1 0 321.381 0.541 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001303186560 960040804 /nfs/dbraw/zinc/04/08/04/960040804.db2.gz JCWKWNRSQFOQGZ-UONOGXRCSA-N 1 0 319.361 0.805 20 5 DCBDRO CN(C)c1cc[nH+]c(CNC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC001303681147 960061596 /nfs/dbraw/zinc/06/15/96/960061596.db2.gz TXKQDEWHSLCMML-UHFFFAOYSA-N 1 0 304.310 0.719 20 5 DCBDRO C[C@H]1[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303798405 960063289 /nfs/dbraw/zinc/06/32/89/960063289.db2.gz AUFDGDCFCQMSSQ-GXFFZTMASA-N 1 0 320.349 0.533 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001304083889 960076109 /nfs/dbraw/zinc/07/61/09/960076109.db2.gz LAWUSSKHLGWHCM-LLVKDONJSA-N 1 0 323.353 0.079 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1C[N@H+](C)CCN1C ZINC001465293012 1015993415 /nfs/dbraw/zinc/99/34/15/1015993415.db2.gz GKXCVLOZESSJIQ-QMTHXVAHSA-N 1 0 321.381 0.541 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC001468316456 1016243793 /nfs/dbraw/zinc/24/37/93/1016243793.db2.gz LWMAHNMCELSSMQ-LBPRGKRZSA-N 1 0 322.365 0.754 20 5 DCBDRO C[C@H](COC(=O)Cn1ccc([N+](=O)[O-])n1)C[NH+]1CCOCC1 ZINC001519999483 1017239209 /nfs/dbraw/zinc/23/92/09/1017239209.db2.gz UKZBBJGSBIQLSA-NSHDSACASA-N 1 0 312.326 0.303 20 5 DCBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001454580736 1009205406 /nfs/dbraw/zinc/20/54/06/1009205406.db2.gz WVRXHSACLYSYHA-SNVBAGLBSA-N 1 0 311.313 0.839 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001454607753 1009224175 /nfs/dbraw/zinc/22/41/75/1009224175.db2.gz DOCWSZZCNIOVMT-JTQLQIEISA-N 1 0 322.365 0.752 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001520421772 1017274732 /nfs/dbraw/zinc/27/47/32/1017274732.db2.gz CKOSYAWSNZCFLS-AWEZNQCLSA-N 1 0 311.313 0.873 20 5 DCBDRO C[N@H+](CCCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC001556937901 1012240898 /nfs/dbraw/zinc/24/08/98/1012240898.db2.gz HOIMIRJINHRNAM-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO CC[C@H]1C[N@H+](CC)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835116 1012429772 /nfs/dbraw/zinc/42/97/72/1012429772.db2.gz AKLDROZSRBPYMP-GXTWGEPZSA-N 1 0 311.386 0.568 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC001559848881 1012436471 /nfs/dbraw/zinc/43/64/71/1012436471.db2.gz FTHUEOVKKBDLPH-LBPRGKRZSA-N 1 0 303.265 0.458 20 5 DCBDRO Nc1ncc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001543013669 1012497370 /nfs/dbraw/zinc/49/73/70/1012497370.db2.gz SIQZKAWSUJNHRF-MNOVXSKESA-N 1 0 305.338 0.929 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001519608266 1017220877 /nfs/dbraw/zinc/22/08/77/1017220877.db2.gz YQVAXUWVEYBPMD-GFCCVEGCSA-N 1 0 308.386 0.904 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001519607797 1017221241 /nfs/dbraw/zinc/22/12/41/1017221241.db2.gz UQISSDZCVREJDW-LBPRGKRZSA-N 1 0 324.385 0.140 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001521286170 1017345284 /nfs/dbraw/zinc/34/52/84/1017345284.db2.gz FCOBAZZBSOKSBS-DOMZBBRYSA-N 1 0 318.377 0.642 20 5 DCBDRO Cc1ncsc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497583428 1018247781 /nfs/dbraw/zinc/24/77/81/1018247781.db2.gz MTTTWGCDRVLONJ-LVUHIJSRSA-N 1 0 310.379 0.879 20 5 DCBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccon1 ZINC001498517357 1019187423 /nfs/dbraw/zinc/18/74/23/1019187423.db2.gz IXWUHEVQBHDOGH-UHFFFAOYSA-N 1 0 322.325 0.568 20 5 DCBDRO C[C@@H]1C[N@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789400 232069706 /nfs/dbraw/zinc/06/97/06/232069706.db2.gz BFKLTQVDTZPDEB-OLZOCXBDSA-N 1 0 309.366 0.970 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859332 232118555 /nfs/dbraw/zinc/11/85/55/232118555.db2.gz RFUARFQSYNWHST-BXKDBHETSA-N 1 0 307.354 0.984 20 5 DCBDRO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1=CC[N@H+](C)CC1 ZINC000272732821 210137937 /nfs/dbraw/zinc/13/79/37/210137937.db2.gz BYNJJAOASUKWPV-LLVKDONJSA-N 1 0 320.349 0.523 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccncc2[N+](=O)[O-])C1 ZINC000272662168 210066948 /nfs/dbraw/zinc/06/69/48/210066948.db2.gz IBGQMTDRVRLXFF-JTQLQIEISA-N 1 0 309.326 0.832 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331382927 233245669 /nfs/dbraw/zinc/24/56/69/233245669.db2.gz JNBWUZLFIAVGOA-SNVBAGLBSA-N 1 0 306.322 0.109 20 5 DCBDRO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000173727355 198245042 /nfs/dbraw/zinc/24/50/42/198245042.db2.gz ZMLTXWWZHIFYOH-CYBMUJFWSA-N 1 0 320.393 0.889 20 5 DCBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000174628678 198362168 /nfs/dbraw/zinc/36/21/68/198362168.db2.gz YFKJUIXFESRRRB-NWDGAFQWSA-N 1 0 320.349 0.452 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000319142657 291256223 /nfs/dbraw/zinc/25/62/23/291256223.db2.gz XYSWVXZRTAWMHY-LLVKDONJSA-N 1 0 307.354 0.053 20 5 DCBDRO C[C@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261822944 291281536 /nfs/dbraw/zinc/28/15/36/291281536.db2.gz UCFOJBGSNZVUFK-CBAPKCEASA-N 1 0 303.315 0.844 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490235 291307447 /nfs/dbraw/zinc/30/74/47/291307447.db2.gz FHHMTUQITGGQHX-KBUVRSHFSA-N 1 0 316.361 0.852 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000420437996 240029708 /nfs/dbraw/zinc/02/97/08/240029708.db2.gz QQVXNRMXZNIELJ-ZWNOBZJWSA-N 1 0 313.379 0.746 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000566902748 291327963 /nfs/dbraw/zinc/32/79/63/291327963.db2.gz SMBKKSFQXREABI-UHFFFAOYSA-N 1 0 308.338 0.958 20 5 DCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567166184 291340396 /nfs/dbraw/zinc/34/03/96/291340396.db2.gz RADROAYUOCTQCJ-ZJUUUORDSA-N 1 0 314.367 0.786 20 5 DCBDRO C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000438825431 240469132 /nfs/dbraw/zinc/46/91/32/240469132.db2.gz IPGBETLBTUWEIW-LLVKDONJSA-N 1 0 324.381 0.849 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2ccc(F)cc2)c1 ZINC000567688549 291369934 /nfs/dbraw/zinc/36/99/34/291369934.db2.gz STUDZRSOECPGRN-ZDUSSCGKSA-N 1 0 324.312 0.960 20 5 DCBDRO C[C@@]1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000567698082 291370642 /nfs/dbraw/zinc/37/06/42/291370642.db2.gz ZIVVXJUFNAUTMX-WFASDCNBSA-N 1 0 323.349 0.593 20 5 DCBDRO C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000569260503 291470797 /nfs/dbraw/zinc/47/07/97/291470797.db2.gz VSHWJJGKOQAHOD-JTQLQIEISA-N 1 0 308.338 0.579 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264182358 203748934 /nfs/dbraw/zinc/74/89/34/203748934.db2.gz ZGLFPVSILVTQTI-VIFPVBQESA-N 1 0 314.367 0.606 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000264789319 204156334 /nfs/dbraw/zinc/15/63/34/204156334.db2.gz UCXXSCOUYUYVFZ-SBJJXXPASA-N 1 0 318.377 0.970 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000264844014 204202285 /nfs/dbraw/zinc/20/22/85/204202285.db2.gz BAUPWRPZFKJAAY-GFCCVEGCSA-N 1 0 321.333 0.997 20 5 DCBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282482091 217028336 /nfs/dbraw/zinc/02/83/36/217028336.db2.gz VLGPPHXJFCBPJY-OCCSQVGLSA-N 1 0 323.349 0.545 20 5 DCBDRO COC(=O)CC[C@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000288583082 220257862 /nfs/dbraw/zinc/25/78/62/220257862.db2.gz IUYXKTOYYVHGPE-LBPRGKRZSA-N 1 0 309.322 0.534 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050246560 183778869 /nfs/dbraw/zinc/77/88/69/183778869.db2.gz CKKIAKSRAVXWRU-SECBINFHSA-N 1 0 315.351 0.573 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000063020712 184267363 /nfs/dbraw/zinc/26/73/63/184267363.db2.gz FZXHYUTWTFZPBG-UHFFFAOYSA-N 1 0 303.340 0.619 20 5 DCBDRO CCC(CC)(CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000338370623 252951804 /nfs/dbraw/zinc/95/18/04/252951804.db2.gz NSUPEZPYFDXHDJ-LBPRGKRZSA-N 1 0 300.359 0.683 20 5 DCBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000272987486 210367623 /nfs/dbraw/zinc/36/76/23/210367623.db2.gz FATWFTNERMCGLU-JTQLQIEISA-N 1 0 316.321 0.515 20 5 DCBDRO COc1ccc(NC(=O)CN2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346106940 254010744 /nfs/dbraw/zinc/01/07/44/254010744.db2.gz YWALGFAVLHHBHB-SNVBAGLBSA-N 1 0 308.338 0.965 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276152804 285315464 /nfs/dbraw/zinc/31/54/64/285315464.db2.gz FADUMVHEZPEZGP-LBPRGKRZSA-N 1 0 317.367 0.774 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296757398 533530138 /nfs/dbraw/zinc/53/01/38/533530138.db2.gz QGBDETPCVIWTGM-UWVGGRQHSA-N 1 0 309.322 0.923 20 5 DCBDRO C[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[NH+](C)C ZINC000277134218 130583656 /nfs/dbraw/zinc/58/36/56/130583656.db2.gz PRPGYILCMVOLSD-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283842688 131027972 /nfs/dbraw/zinc/02/79/72/131027972.db2.gz AXZUAIKWRPQEGQ-SECBINFHSA-N 1 0 316.383 0.767 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000285655474 131190389 /nfs/dbraw/zinc/19/03/89/131190389.db2.gz GFKGCGYFGXJKLS-VXGBXAGGSA-N 1 0 323.353 0.031 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118105417 395858795 /nfs/dbraw/zinc/85/87/95/395858795.db2.gz WYRKZCAOCYDASA-GFCCVEGCSA-N 1 0 306.322 0.744 20 5 DCBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195230173 395821815 /nfs/dbraw/zinc/82/18/15/395821815.db2.gz ZTKGLCJAGXIKCP-DTORHVGOSA-N 1 0 301.306 0.763 20 5 DCBDRO Cc1cc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000195306244 395824720 /nfs/dbraw/zinc/82/47/20/395824720.db2.gz JUWGMXBMILDECZ-PHIMTYICSA-N 1 0 311.363 0.743 20 5 DCBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1CCOC ZINC000270954592 395826341 /nfs/dbraw/zinc/82/63/41/395826341.db2.gz MQLNIVJOPHKZEL-NSHDSACASA-N 1 0 324.385 0.904 20 5 DCBDRO CC[NH2+]CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000054266183 395895889 /nfs/dbraw/zinc/89/58/89/395895889.db2.gz YGOYNZARTCNFKF-UHFFFAOYSA-N 1 0 303.340 0.491 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000272551478 395899247 /nfs/dbraw/zinc/89/92/47/395899247.db2.gz CYYYEMGSFHZHHX-WCQYABFASA-N 1 0 320.349 0.309 20 5 DCBDRO CC1CC[NH+](CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)CC1 ZINC000154234891 396034358 /nfs/dbraw/zinc/03/43/58/396034358.db2.gz GZOYEKYJUUHTSY-UHFFFAOYSA-N 1 0 308.338 0.587 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000262170546 396106199 /nfs/dbraw/zinc/10/61/99/396106199.db2.gz CJYQIMSONGIUFL-UHFFFAOYSA-N 1 0 318.333 0.099 20 5 DCBDRO O=C(NC1CC[NH2+]CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000262512285 396149330 /nfs/dbraw/zinc/14/93/30/396149330.db2.gz OZMCQVIJQIVOOO-UHFFFAOYSA-N 1 0 316.321 0.657 20 5 DCBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c([N+](=O)[O-])c1 ZINC000262521419 396149948 /nfs/dbraw/zinc/14/99/48/396149948.db2.gz NWMRQUDXDCZAST-DGCLKSJQSA-N 1 0 322.365 0.544 20 5 DCBDRO CC(C)(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)n1cc([N+](=O)[O-])cn1 ZINC000262624169 396163524 /nfs/dbraw/zinc/16/35/24/396163524.db2.gz KBMFLDRGCUZZDJ-MNOVXSKESA-N 1 0 307.354 0.879 20 5 DCBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000177756741 396181893 /nfs/dbraw/zinc/18/18/93/396181893.db2.gz KAHAUZJZPVMFRL-NEPJUHHUSA-N 1 0 307.354 0.877 20 5 DCBDRO CC(C)(C)C[N@H+](CCO)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075718171 396186112 /nfs/dbraw/zinc/18/61/12/396186112.db2.gz HTRISPTVMVJGIE-GFCCVEGCSA-N 1 0 300.359 0.493 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000264495884 396285180 /nfs/dbraw/zinc/28/51/80/396285180.db2.gz XDEYCEOGGNMBLG-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO COC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000184516553 396298061 /nfs/dbraw/zinc/29/80/61/396298061.db2.gz XVUPLJYMZCKFBH-VXGBXAGGSA-N 1 0 310.310 0.723 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000187235076 396365307 /nfs/dbraw/zinc/36/53/07/396365307.db2.gz WNWUEHHYVLRKTK-UHFFFAOYSA-N 1 0 310.354 0.708 20 5 DCBDRO COc1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000269231104 396397407 /nfs/dbraw/zinc/39/74/07/396397407.db2.gz DCCWTQMPVRJKAJ-GFCCVEGCSA-N 1 0 323.349 0.988 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269308350 396406308 /nfs/dbraw/zinc/40/63/08/396406308.db2.gz ZQQFSKPYWBMBIC-CYBMUJFWSA-N 1 0 322.365 0.814 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C[NH+](C)C)C2)n1 ZINC000191817469 396425396 /nfs/dbraw/zinc/42/53/96/396425396.db2.gz TVOQVXPSHWKHOW-SNVBAGLBSA-N 1 0 311.342 0.214 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[C@H](C)[NH+](C)C)c([N+](=O)[O-])n1 ZINC000594821198 396522372 /nfs/dbraw/zinc/52/23/72/396522372.db2.gz KPJZTPMVYYIFOL-VIFPVBQESA-N 1 0 319.387 0.430 20 5 DCBDRO [NH3+]Cc1ccc(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000581249860 396537785 /nfs/dbraw/zinc/53/77/85/396537785.db2.gz SGYXXFFDLCUYGY-UHFFFAOYSA-N 1 0 318.337 0.749 20 5 DCBDRO NC(=O)C1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595728385 396652664 /nfs/dbraw/zinc/65/26/64/396652664.db2.gz MXGUAZIMCCAOPE-UHFFFAOYSA-N 1 0 309.322 0.598 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCc1cnccn1 ZINC000581879759 396588711 /nfs/dbraw/zinc/58/87/11/396588711.db2.gz YLRFPDLYSSXLAE-CYBMUJFWSA-N 1 0 318.333 0.957 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)n1 ZINC000595471371 396613479 /nfs/dbraw/zinc/61/34/79/396613479.db2.gz ZYBPQVADGWFZOC-CQSZACIVSA-N 1 0 323.397 0.978 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373884112 396621076 /nfs/dbraw/zinc/62/10/76/396621076.db2.gz CLJAACZDLVPESM-QWRGUYRKSA-N 1 0 311.363 0.967 20 5 DCBDRO CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000293747058 396629981 /nfs/dbraw/zinc/62/99/81/396629981.db2.gz XUSCWUIBTADKQO-CMPLNLGQSA-N 1 0 316.383 0.737 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000586757893 396663089 /nfs/dbraw/zinc/66/30/89/396663089.db2.gz ZLASTOBENYGNGA-LLVKDONJSA-N 1 0 323.353 0.645 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588862531 396695998 /nfs/dbraw/zinc/69/59/98/396695998.db2.gz DGFCYAILJCNCAJ-GJZGRUSLSA-N 1 0 319.361 0.805 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000589101397 396704369 /nfs/dbraw/zinc/70/43/69/396704369.db2.gz BTCKFPPQTQNYGC-VIFPVBQESA-N 1 0 312.326 0.501 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000312618874 396766302 /nfs/dbraw/zinc/76/63/02/396766302.db2.gz ARNMAAKBHCETMK-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO CC(C)(CO)[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000590695520 396825135 /nfs/dbraw/zinc/82/51/35/396825135.db2.gz NYOHZBIBNYOTQF-UHFFFAOYSA-N 1 0 324.337 0.224 20 5 DCBDRO CC[NH+](CC)CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC000590568168 396800391 /nfs/dbraw/zinc/80/03/91/396800391.db2.gz BNJSIEWGJXQMNG-UHFFFAOYSA-N 1 0 316.383 0.996 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000320254963 396813118 /nfs/dbraw/zinc/81/31/18/396813118.db2.gz XEJNXXKYCUSOAX-CQSZACIVSA-N 1 0 306.322 0.434 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(C)c1[N+](=O)[O-] ZINC000564954324 396909660 /nfs/dbraw/zinc/90/96/60/396909660.db2.gz LUPRXYDQLFGAMW-NEPJUHHUSA-N 1 0 307.354 0.619 20 5 DCBDRO CN(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000571396428 396946713 /nfs/dbraw/zinc/94/67/13/396946713.db2.gz CCDOBGIYSITSQE-OAHLLOKOSA-N 1 0 319.365 0.878 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCn1cncn1 ZINC000612029951 396983827 /nfs/dbraw/zinc/98/38/27/396983827.db2.gz YXAYBOOKMYKCHV-LBPRGKRZSA-N 1 0 321.337 0.606 20 5 DCBDRO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000571778546 396987317 /nfs/dbraw/zinc/98/73/17/396987317.db2.gz WDKRYQZVFGKUOD-ZDUSSCGKSA-N 1 0 320.349 0.551 20 5 DCBDRO CCN1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000591765970 396999978 /nfs/dbraw/zinc/99/99/78/396999978.db2.gz XHQMZFYCASAGQB-VXGBXAGGSA-N 1 0 323.349 0.545 20 5 DCBDRO CCN1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591765763 397000389 /nfs/dbraw/zinc/00/03/89/397000389.db2.gz GLZQLQONCAVYRW-GXTWGEPZSA-N 1 0 323.349 0.545 20 5 DCBDRO O=C(NCC[NH2+]C1CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000591678788 396976070 /nfs/dbraw/zinc/97/60/70/396976070.db2.gz HFLRJFYBOIFVPT-UHFFFAOYSA-N 1 0 307.306 0.848 20 5 DCBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000591681016 396977123 /nfs/dbraw/zinc/97/71/23/396977123.db2.gz MFRMMJXJUJXCDB-NSHDSACASA-N 1 0 319.321 0.616 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600977383 396979056 /nfs/dbraw/zinc/97/90/56/396979056.db2.gz GDDIGGKDSYLITC-UHFFFAOYSA-N 1 0 310.329 0.711 20 5 DCBDRO COc1ccc(NC(=O)CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000601328877 397059928 /nfs/dbraw/zinc/05/99/28/397059928.db2.gz BFVYQOOQKXDWJH-PHIMTYICSA-N 1 0 320.349 0.978 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206261 397129056 /nfs/dbraw/zinc/12/90/56/397129056.db2.gz YMOIWOUCJQLPNB-NEPJUHHUSA-N 1 0 324.333 0.829 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CCC[NH3+] ZINC000592298657 397145761 /nfs/dbraw/zinc/14/57/61/397145761.db2.gz NRWVRSHZRXQNBT-JTQLQIEISA-N 1 0 312.374 0.634 20 5 DCBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000592385136 397166560 /nfs/dbraw/zinc/16/65/60/397166560.db2.gz LKZKEZDKQPQYKA-SSDOTTSWSA-N 1 0 317.323 0.007 20 5 DCBDRO C[NH+](C)CC1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000601423839 397114920 /nfs/dbraw/zinc/11/49/20/397114920.db2.gz NYFMHWZKJAWXAG-UHFFFAOYSA-N 1 0 313.379 0.918 20 5 DCBDRO CN(C)C[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592432173 397176581 /nfs/dbraw/zinc/17/65/81/397176581.db2.gz JWUMCWUONKYJPI-NSHDSACASA-N 1 0 310.354 0.436 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000592477043 397187244 /nfs/dbraw/zinc/18/72/44/397187244.db2.gz NMXADXQLUWVIIF-RISCZKNCSA-N 1 0 322.365 0.606 20 5 DCBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475184 397187445 /nfs/dbraw/zinc/18/74/45/397187445.db2.gz ZVNFXNMZTSICNH-WDMOLILDSA-N 1 0 322.365 0.970 20 5 DCBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592486494 397188710 /nfs/dbraw/zinc/18/87/10/397188710.db2.gz HFOODNQZARJGTI-RYUDHWBXSA-N 1 0 310.329 0.826 20 5 DCBDRO CC(C)(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000592544912 397206033 /nfs/dbraw/zinc/20/60/33/397206033.db2.gz JXCMLSCIRMRBKL-PWSUYJOCSA-N 1 0 307.354 0.737 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592547654 397207762 /nfs/dbraw/zinc/20/77/62/397207762.db2.gz IYBWCIFWUZZCKY-LBPRGKRZSA-N 1 0 307.306 0.572 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NCC1CC[NH+](CC2CC2)CC1 ZINC000598537821 397246190 /nfs/dbraw/zinc/24/61/90/397246190.db2.gz QCXXCFRNOXYZGT-UHFFFAOYSA-N 1 0 322.369 0.425 20 5 DCBDRO CC[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000574445289 397268698 /nfs/dbraw/zinc/26/86/98/397268698.db2.gz XWMNSHKQKGQCEA-JTQLQIEISA-N 1 0 317.367 0.234 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C1 ZINC000598663660 397270420 /nfs/dbraw/zinc/27/04/20/397270420.db2.gz XCQXOAOEVWOLMD-JTQLQIEISA-N 1 0 307.310 0.194 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665486 397271057 /nfs/dbraw/zinc/27/10/57/397271057.db2.gz OVESRKQNBQNOQS-SNVBAGLBSA-N 1 0 323.353 0.831 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665407 397271577 /nfs/dbraw/zinc/27/15/77/397271577.db2.gz VEJLTCUAYSVUFQ-VIFPVBQESA-N 1 0 309.326 0.522 20 5 DCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598668195 397272304 /nfs/dbraw/zinc/27/23/04/397272304.db2.gz MPBHAOVMVLJQDT-NXEZZACHSA-N 1 0 323.353 0.958 20 5 DCBDRO CN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC000601979238 397280349 /nfs/dbraw/zinc/28/03/49/397280349.db2.gz BHNMDDZNHGEIDW-MRVPVSSYSA-N 1 0 309.351 0.712 20 5 DCBDRO O=[N+]([O-])c1c(N2CCOCC2)ncnc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601985504 397281277 /nfs/dbraw/zinc/28/12/77/397281277.db2.gz XOVMAKQJQXIPBV-PHIMTYICSA-N 1 0 320.353 0.162 20 5 DCBDRO C[NH+](C)C1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598900198 397304630 /nfs/dbraw/zinc/30/46/30/397304630.db2.gz PITPYJWCEHPOIX-UHFFFAOYSA-N 1 0 321.337 0.489 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598916296 397307758 /nfs/dbraw/zinc/30/77/58/397307758.db2.gz XCFXVKUNRFKKRL-GXSJLCMTSA-N 1 0 306.322 0.790 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915732 397307827 /nfs/dbraw/zinc/30/78/27/397307827.db2.gz NNBYNYUAOZBEDJ-UHFFFAOYSA-N 1 0 311.317 0.761 20 5 DCBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598916485 397307943 /nfs/dbraw/zinc/30/79/43/397307943.db2.gz ZVHMAPJLWSVKIU-NXEZZACHSA-N 1 0 306.322 0.872 20 5 DCBDRO CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599100038 397335842 /nfs/dbraw/zinc/33/58/42/397335842.db2.gz DGTDAXCEUURRAR-JTQLQIEISA-N 1 0 314.367 0.608 20 5 DCBDRO COC(=O)c1cnc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199403 397360867 /nfs/dbraw/zinc/36/08/67/397360867.db2.gz JPRBADKTSUUELZ-JTQLQIEISA-N 1 0 310.310 0.255 20 5 DCBDRO COc1cc(N2CC(N3CC[C@@H](O)C3)C2)c(F)cc1[N+](=O)[O-] ZINC000593504867 397377036 /nfs/dbraw/zinc/37/70/36/397377036.db2.gz RVZOASZJWJEIGI-SNVBAGLBSA-N 1 0 311.313 0.998 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000366579335 397380945 /nfs/dbraw/zinc/38/09/45/397380945.db2.gz AABJTZOJZSARDH-WDNDVIMCSA-N 1 0 313.317 0.728 20 5 DCBDRO [NH3+]C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000578192217 397403031 /nfs/dbraw/zinc/40/30/31/397403031.db2.gz HLVKSHLLBZVDOY-SNVBAGLBSA-N 1 0 314.367 0.786 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000602465107 397408997 /nfs/dbraw/zinc/40/89/97/397408997.db2.gz HWJBRVHJNKUDOK-GFCCVEGCSA-N 1 0 306.366 0.986 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000367770726 397409085 /nfs/dbraw/zinc/40/90/85/397409085.db2.gz IIYSXVCFDDRBDT-IUCAKERBSA-N 1 0 303.315 0.573 20 5 DCBDRO CC(=O)NCC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602763461 397479428 /nfs/dbraw/zinc/47/94/28/397479428.db2.gz KUZWTZDFUIZVRK-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000602779409 397482523 /nfs/dbraw/zinc/48/25/23/397482523.db2.gz GAVGKXSXPNBXLB-CQSZACIVSA-N 1 0 323.397 0.896 20 5 DCBDRO O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000578768537 397482652 /nfs/dbraw/zinc/48/26/52/397482652.db2.gz HTFBUOJTYBQDQT-CMPLNLGQSA-N 1 0 306.322 0.813 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000599644905 397493260 /nfs/dbraw/zinc/49/32/60/397493260.db2.gz AOWIUISQWHIEDX-ZDUSSCGKSA-N 1 0 318.333 0.916 20 5 DCBDRO CCN(CC[NH3+])C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000599918458 397539653 /nfs/dbraw/zinc/53/96/53/397539653.db2.gz QDNIUUZCKKIANY-UHFFFAOYSA-N 1 0 306.326 0.961 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939265 397546157 /nfs/dbraw/zinc/54/61/57/397546157.db2.gz UQVDETFDWKDDJY-CMPLNLGQSA-N 1 0 308.338 0.214 20 5 DCBDRO C[C@]1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000579717262 397590205 /nfs/dbraw/zinc/59/02/05/397590205.db2.gz CDUOBZTWUJMSRU-LBPRGKRZSA-N 1 0 314.367 0.658 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000610069736 397802375 /nfs/dbraw/zinc/80/23/75/397802375.db2.gz RPQMIINXCFUABL-NSHDSACASA-N 1 0 308.342 0.131 20 5 DCBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000128547583 158281291 /nfs/dbraw/zinc/28/12/91/158281291.db2.gz FCPGEMGDARGOKX-WDEREUQCSA-N 1 0 310.358 0.423 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000133255635 158316956 /nfs/dbraw/zinc/31/69/56/158316956.db2.gz ILSPSQVCNQWWAQ-UHFFFAOYSA-N 1 0 303.340 0.619 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237580115 158639781 /nfs/dbraw/zinc/63/97/81/158639781.db2.gz QLOZOMMHQVWQEM-LBPRGKRZSA-N 1 0 309.370 0.996 20 5 DCBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261946370 158757570 /nfs/dbraw/zinc/75/75/70/158757570.db2.gz VSCPRABFUHQCNM-GFCCVEGCSA-N 1 0 322.340 0.854 20 5 DCBDRO CC[N@@H+]1C[C@H](C)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330588477 159198668 /nfs/dbraw/zinc/19/86/68/159198668.db2.gz UEDCRTRZWWYGCB-DYEKYZERSA-N 1 0 311.386 0.567 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000330593043 159198975 /nfs/dbraw/zinc/19/89/75/159198975.db2.gz AFGRHQZAYMXXHF-UHFFFAOYSA-N 1 0 310.358 0.027 20 5 DCBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908552 159364096 /nfs/dbraw/zinc/36/40/96/159364096.db2.gz VWACOKJURKVNQG-GHMZBOCLSA-N 1 0 321.337 0.396 20 5 DCBDRO CN(CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000368203902 159382289 /nfs/dbraw/zinc/38/22/89/159382289.db2.gz SSOUAGOFTIARHV-QWRGUYRKSA-N 1 0 310.329 0.847 20 5 DCBDRO C[NH+]1CCC2(CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000408071956 160029425 /nfs/dbraw/zinc/02/94/25/160029425.db2.gz PTNYBEAOJIRAIA-UHFFFAOYSA-N 1 0 308.342 0.273 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000132758590 287007111 /nfs/dbraw/zinc/00/71/11/287007111.db2.gz MLWBPVGFYXUXCK-LBPRGKRZSA-N 1 0 309.370 0.946 20 5 DCBDRO CCC[NH+]1CCC(NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000132822402 287007114 /nfs/dbraw/zinc/00/71/14/287007114.db2.gz ZOTWSEKFJSLZSX-UHFFFAOYSA-N 1 0 324.385 0.965 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000153225884 287048513 /nfs/dbraw/zinc/04/85/13/287048513.db2.gz FTOFSOUASHXXIH-AWEZNQCLSA-N 1 0 313.329 0.705 20 5 DCBDRO CCOC[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246462094 287084057 /nfs/dbraw/zinc/08/40/57/287084057.db2.gz FMPJSDJCFHMIDB-DGCLKSJQSA-N 1 0 310.354 0.873 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000415429998 287236229 /nfs/dbraw/zinc/23/62/29/287236229.db2.gz BUCUQUUZPUSQNR-NSHDSACASA-N 1 0 308.338 0.941 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419241327 287276601 /nfs/dbraw/zinc/27/66/01/287276601.db2.gz BVEGJRAHABKNOR-MNOVXSKESA-N 1 0 322.365 0.886 20 5 DCBDRO COCC[N@@H+]1CCCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000331670303 415180785 /nfs/dbraw/zinc/18/07/85/415180785.db2.gz RSARTCBYFIHXEJ-UHFFFAOYSA-N 1 0 311.342 0.123 20 5 DCBDRO C[NH2+][C@@H](C)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420445125 287298510 /nfs/dbraw/zinc/29/85/10/287298510.db2.gz ZXNWZZINBXVACO-JTQLQIEISA-N 1 0 301.368 0.665 20 5 DCBDRO CC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000342584887 415217021 /nfs/dbraw/zinc/21/70/21/415217021.db2.gz XORXSHSFLNIPRV-LLVKDONJSA-N 1 0 320.349 0.991 20 5 DCBDRO Cn1c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000352866142 415351760 /nfs/dbraw/zinc/35/17/60/415351760.db2.gz KFXVCTPUZGDWHW-LLVKDONJSA-N 1 0 310.354 0.510 20 5 DCBDRO CCCN(CCC[NH+](C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000276148535 415437360 /nfs/dbraw/zinc/43/73/60/415437360.db2.gz CFNKCHXHWNADIG-UHFFFAOYSA-N 1 0 324.381 0.947 20 5 DCBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000354009371 415714972 /nfs/dbraw/zinc/71/49/72/415714972.db2.gz VFVXGWGDIGQBOZ-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO C[C@H]1[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000343887363 415764405 /nfs/dbraw/zinc/76/44/05/415764405.db2.gz FVXGUAQFSAFGEW-JQWIXIFHSA-N 1 0 310.358 0.573 20 5 DCBDRO C[C@@H]1[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CCC[N@@H+]1C ZINC000343887989 415769274 /nfs/dbraw/zinc/76/92/74/415769274.db2.gz FVXGUAQFSAFGEW-ZYHUDNBSSA-N 1 0 310.358 0.573 20 5 DCBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000356739785 415979994 /nfs/dbraw/zinc/97/99/94/415979994.db2.gz KEQSTNRFXCRPIY-NSHDSACASA-N 1 0 310.354 0.601 20 5 DCBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000133060110 415938653 /nfs/dbraw/zinc/93/86/53/415938653.db2.gz TVWVLXLLAGXGIH-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO Cc1nn(C)c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000301299412 416079535 /nfs/dbraw/zinc/07/95/35/416079535.db2.gz QJOPDRSDLVCZRI-CYBMUJFWSA-N 1 0 322.413 0.853 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357256896 416054841 /nfs/dbraw/zinc/05/48/41/416054841.db2.gz PHDAISDHYKPAPY-ZDUSSCGKSA-N 1 0 324.356 0.638 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299147176 416055083 /nfs/dbraw/zinc/05/50/83/416055083.db2.gz WOEFGOCWLQIHCT-OLZOCXBDSA-N 1 0 307.354 0.924 20 5 DCBDRO CC1CC[NH+](C[C@H](O)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301181195 416076531 /nfs/dbraw/zinc/07/65/31/416076531.db2.gz PYIRJSKJDDTNFO-SNVBAGLBSA-N 1 0 310.358 0.472 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338363736 416085048 /nfs/dbraw/zinc/08/50/48/416085048.db2.gz WVZIAKRZGWBHKU-NSHDSACASA-N 1 0 323.349 0.747 20 5 DCBDRO CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CS(=O)(=O)CC ZINC000174861213 416088893 /nfs/dbraw/zinc/08/88/93/416088893.db2.gz IQESQHJXGQVYAU-NSHDSACASA-N 1 0 318.399 0.936 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+](C)C ZINC000357598865 416103747 /nfs/dbraw/zinc/10/37/47/416103747.db2.gz MIMRRMQADZFPAK-SECBINFHSA-N 1 0 324.337 0.608 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@H](C[NH3+])C1 ZINC000358154652 416201730 /nfs/dbraw/zinc/20/17/30/416201730.db2.gz QZQYGJRBPQEVKF-CYBMUJFWSA-N 1 0 322.365 0.891 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347410288 416218825 /nfs/dbraw/zinc/21/88/25/416218825.db2.gz FZHFHDIXQVUREI-LLVKDONJSA-N 1 0 316.365 1.196 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000358306731 416221844 /nfs/dbraw/zinc/22/18/44/416221844.db2.gz HXACPCOPRIXQTD-CQSZACIVSA-N 1 0 303.322 1.017 20 5 DCBDRO O=C1C[C@]2(CN1)CCC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000341678072 416223139 /nfs/dbraw/zinc/22/31/39/416223139.db2.gz WNCKXFCLBMVMLJ-HNNXBMFYSA-N 1 0 320.349 0.359 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000183456773 416242589 /nfs/dbraw/zinc/24/25/89/416242589.db2.gz FCQXVZBOIQGYMI-SECBINFHSA-N 1 0 305.338 0.786 20 5 DCBDRO [NH3+]C1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000261850745 416335871 /nfs/dbraw/zinc/33/58/71/416335871.db2.gz WUHBSEVAVOSRRV-UHFFFAOYSA-N 1 0 303.315 0.846 20 5 DCBDRO Cc1cc(NC(=O)NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000415419799 416342087 /nfs/dbraw/zinc/34/20/87/416342087.db2.gz RGVKQNBVRDXNMO-GFCCVEGCSA-N 1 0 307.354 0.928 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419349621 416399680 /nfs/dbraw/zinc/39/96/80/416399680.db2.gz MQUOSKWGIAPQHO-LLVKDONJSA-N 1 0 322.365 0.497 20 5 DCBDRO CNc1nccc(C(=O)NCC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000584061996 416497929 /nfs/dbraw/zinc/49/79/29/416497929.db2.gz BAVTUOUDZHRSBR-UHFFFAOYSA-N 1 0 321.381 1.493 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000584359494 416514249 /nfs/dbraw/zinc/51/42/49/416514249.db2.gz DTIHNWZZNWMTFZ-VHSXEESVSA-N 1 0 319.365 1.387 20 5 DCBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C[NH3+] ZINC000424077533 416609767 /nfs/dbraw/zinc/60/97/67/416609767.db2.gz RMBVLYHUUGQKPX-UTUOFQBUSA-N 1 0 322.365 0.588 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595952982 416573419 /nfs/dbraw/zinc/57/34/19/416573419.db2.gz VYEBPTDHOWCTOT-KCJUWKMLSA-N 1 0 305.294 0.773 20 5 DCBDRO [NH3+][C@@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423904019 416586470 /nfs/dbraw/zinc/58/64/70/416586470.db2.gz NRMLKPGQBPGWGM-ZDUSSCGKSA-N 1 0 303.322 0.998 20 5 DCBDRO O=C1C[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1 ZINC000514931863 416683145 /nfs/dbraw/zinc/68/31/45/416683145.db2.gz APKJTJXYLXUVPQ-CMPLNLGQSA-N 1 0 309.322 0.060 20 5 DCBDRO CC(C)OCCC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441470165 416674247 /nfs/dbraw/zinc/67/42/47/416674247.db2.gz UANZVPGLWYZWPQ-CYBMUJFWSA-N 1 0 300.359 0.899 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425505743 416711106 /nfs/dbraw/zinc/71/11/06/416711106.db2.gz ZBZLVWBSNJJTTC-WCQYABFASA-N 1 0 321.341 0.081 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCO1 ZINC000557147238 416727493 /nfs/dbraw/zinc/72/74/93/416727493.db2.gz HRTNSUNFRVWNSD-CYBMUJFWSA-N 1 0 324.337 0.261 20 5 DCBDRO CN1CCC([N@@H+]2CC[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000369265343 416738280 /nfs/dbraw/zinc/73/82/80/416738280.db2.gz FWRPTPWFFGRURQ-JTQLQIEISA-N 1 0 321.385 0.547 20 5 DCBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516948452 416759707 /nfs/dbraw/zinc/75/97/07/416759707.db2.gz COBNWIAZQYDCQM-SWHYSGLUSA-N 1 0 322.365 0.529 20 5 DCBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000518934774 416883109 /nfs/dbraw/zinc/88/31/09/416883109.db2.gz MAYHITXKMVPQAO-UHFFFAOYSA-N 1 0 313.358 0.748 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1CCC[NH2+]1 ZINC000429106614 287335009 /nfs/dbraw/zinc/33/50/09/287335009.db2.gz YZBAZAQXBVZYNL-NSHDSACASA-N 1 0 321.333 0.777 20 5 DCBDRO CN1CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000519538259 416911053 /nfs/dbraw/zinc/91/10/53/416911053.db2.gz IUNOYLOEIXRUES-GFCCVEGCSA-N 1 0 321.381 0.498 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000519745615 416934640 /nfs/dbraw/zinc/93/46/40/416934640.db2.gz RHIKPBFEPCRBIV-LLVKDONJSA-N 1 0 310.354 0.510 20 5 DCBDRO C[C@H](C[NH3+])N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000430973397 417092621 /nfs/dbraw/zinc/09/26/21/417092621.db2.gz UIFPZRZQFGKEKK-MRVPVSSYSA-N 1 0 310.310 0.541 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525129217 417124830 /nfs/dbraw/zinc/12/48/30/417124830.db2.gz PZUSHHFKTBUUAN-SNVBAGLBSA-N 1 0 314.367 0.705 20 5 DCBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]Cc2c([N+](=O)[O-])ncn2C)cnn1C ZINC000431978039 417152721 /nfs/dbraw/zinc/15/27/21/417152721.db2.gz SILLUFBGGBYHBP-WCQYABFASA-N 1 0 320.353 0.990 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000449594573 417155907 /nfs/dbraw/zinc/15/59/07/417155907.db2.gz REQSEZWBYMCRFL-BBBLOLIVSA-N 1 0 308.338 0.565 20 5 DCBDRO Cc1cccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000568872947 417185869 /nfs/dbraw/zinc/18/58/69/417185869.db2.gz DZCTUJAAGCNQDO-CQSZACIVSA-N 1 0 305.338 0.688 20 5 DCBDRO Cn1c(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000569483000 417260815 /nfs/dbraw/zinc/26/08/15/417260815.db2.gz FACBWLQIERSUGQ-RISCZKNCSA-N 1 0 322.365 0.902 20 5 DCBDRO COC(=O)COc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414839191 417307933 /nfs/dbraw/zinc/30/79/33/417307933.db2.gz FTXJFDRSAODGER-LBPRGKRZSA-N 1 0 323.349 0.988 20 5 DCBDRO CC[C@H]([NH3+])CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000414989686 417321296 /nfs/dbraw/zinc/32/12/96/417321296.db2.gz NVIHBPJKGSYSPM-NSHDSACASA-N 1 0 311.338 0.974 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(O)(C[NH3+])CC2)c1 ZINC000570681996 417381238 /nfs/dbraw/zinc/38/12/38/417381238.db2.gz MFRSGDIHNJXMBH-UHFFFAOYSA-N 1 0 309.322 0.529 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000576596333 417621152 /nfs/dbraw/zinc/62/11/52/417621152.db2.gz VPTXJVJESPOXDD-KBPBESRZSA-N 1 0 307.350 0.959 20 5 DCBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000302142887 230119961 /nfs/dbraw/zinc/11/99/61/230119961.db2.gz FXZKNANYBVFCCI-UHFFFAOYSA-N 1 0 320.353 0.129 20 5 DCBDRO Cc1nn(C)c(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302519498 230282391 /nfs/dbraw/zinc/28/23/91/230282391.db2.gz WVPDFJRBIPKEDQ-JTQLQIEISA-N 1 0 311.386 0.918 20 5 DCBDRO [NH3+]C1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000237858303 261163132 /nfs/dbraw/zinc/16/31/32/261163132.db2.gz OXXLBMQXLLEMAM-UHFFFAOYSA-N 1 0 304.350 0.907 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000354611733 261245007 /nfs/dbraw/zinc/24/50/07/261245007.db2.gz YPGPPHZBVODFBN-LBPRGKRZSA-N 1 0 306.370 0.601 20 5 DCBDRO COc1cc(CN(C)[C@@H]2CCNC2=O)c([N+](=O)[O-])cc1OC ZINC000355191537 261318330 /nfs/dbraw/zinc/31/83/30/261318330.db2.gz QQHHBFAXIYVNFQ-SNVBAGLBSA-N 1 0 309.322 0.932 20 5 DCBDRO C[C@@H](O)C[N@H+](C)C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355934541 261376957 /nfs/dbraw/zinc/37/69/57/261376957.db2.gz SOFTUAQHHZRPAD-LLVKDONJSA-N 1 0 311.386 0.605 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361079752 261895567 /nfs/dbraw/zinc/89/55/67/261895567.db2.gz MAMCSIBLLTUJDB-QWHCGFSZSA-N 1 0 307.354 0.686 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000417213441 262247790 /nfs/dbraw/zinc/24/77/90/262247790.db2.gz CGAZOUHCUPVTPP-CYBMUJFWSA-N 1 0 308.338 0.506 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000417234956 262248353 /nfs/dbraw/zinc/24/83/53/262248353.db2.gz QRRQLVSEEGGZEX-ZDUSSCGKSA-N 1 0 308.338 0.425 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000417758646 262260995 /nfs/dbraw/zinc/26/09/95/262260995.db2.gz CMNBZIVOZZGRKV-LBPRGKRZSA-N 1 0 308.338 0.506 20 5 DCBDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000418233276 262273287 /nfs/dbraw/zinc/27/32/87/262273287.db2.gz OBHXIDYYRCFHCJ-SMDDNHRTSA-N 1 0 321.381 0.859 20 5 DCBDRO C[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418774624 262288562 /nfs/dbraw/zinc/28/85/62/262288562.db2.gz DGCUDRVAIOBFKQ-TVQRCGJNSA-N 1 0 320.349 0.626 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418783606 262289631 /nfs/dbraw/zinc/28/96/31/262289631.db2.gz OUZFBFDFZBFGIA-TVQRCGJNSA-N 1 0 320.349 0.626 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418862425 262293831 /nfs/dbraw/zinc/29/38/31/262293831.db2.gz GCNFSCJCEZEPAQ-CYBMUJFWSA-N 1 0 320.349 0.107 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000418920080 262298179 /nfs/dbraw/zinc/29/81/79/262298179.db2.gz HCMFTOOMIMTBPQ-ZWNOBZJWSA-N 1 0 320.349 0.059 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419152587 262313763 /nfs/dbraw/zinc/31/37/63/262313763.db2.gz ORERAWCHDRILCO-GHMZBOCLSA-N 1 0 320.349 0.592 20 5 DCBDRO [NH3+]CCCNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419165646 262315780 /nfs/dbraw/zinc/31/57/80/262315780.db2.gz NMPDILWEVUFFRK-UHFFFAOYSA-N 1 0 314.729 0.329 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000420144698 262363549 /nfs/dbraw/zinc/36/35/49/262363549.db2.gz NRMOLNJACQJACE-NSHDSACASA-N 1 0 322.365 0.320 20 5 DCBDRO C[NH2+]C[C@H](C)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000420186888 262366403 /nfs/dbraw/zinc/36/64/03/262366403.db2.gz CTHZXJNQLIOBOP-QMMMGPOBSA-N 1 0 302.356 0.510 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000423893761 262468522 /nfs/dbraw/zinc/46/85/22/262468522.db2.gz CXLLUAOYVMPKFU-WXHSDQCUSA-N 1 0 307.354 0.828 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC000424231782 262487111 /nfs/dbraw/zinc/48/71/11/262487111.db2.gz GMCCVBWYPDRHGW-QWHCGFSZSA-N 1 0 315.333 0.895 20 5 DCBDRO CO[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359242356 271110407 /nfs/dbraw/zinc/11/04/07/271110407.db2.gz PPCCLPBIWHOGJP-RYUDHWBXSA-N 1 0 323.349 0.938 20 5 DCBDRO COc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000415433646 271238821 /nfs/dbraw/zinc/23/88/21/271238821.db2.gz HANZHSPVEPEELF-SNVBAGLBSA-N 1 0 324.337 0.641 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NCCN1CC[NH2+]CC1 ZINC000418293901 271240348 /nfs/dbraw/zinc/24/03/48/271240348.db2.gz GHCIPLTWKZWJFT-UHFFFAOYSA-N 1 0 321.381 0.641 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000422718272 271380061 /nfs/dbraw/zinc/38/00/61/271380061.db2.gz WUTSAUYAXPODRT-LBPRGKRZSA-N 1 0 320.349 0.453 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@@H](C)[NH3+] ZINC000429041041 271445258 /nfs/dbraw/zinc/44/52/58/271445258.db2.gz NYHXADYEXVWTHL-PSASIEDQSA-N 1 0 312.374 0.681 20 5 DCBDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459836980 272014229 /nfs/dbraw/zinc/01/42/29/272014229.db2.gz ZTFXMVYIYXJUGV-FPMFFAJLSA-N 1 0 312.322 0.338 20 5 DCBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)[C@@H]1COC[C@H]1O ZINC000512150722 272397834 /nfs/dbraw/zinc/39/78/34/272397834.db2.gz AAHMHDSWXZRGDQ-ZWKOPEQDSA-N 1 0 309.322 0.613 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000518768554 272491033 /nfs/dbraw/zinc/49/10/33/272491033.db2.gz QYKDIGZMOASWTL-NSHDSACASA-N 1 0 309.322 0.793 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000523660981 272559425 /nfs/dbraw/zinc/55/94/25/272559425.db2.gz NGWIXPNCHUSVIA-LBPRGKRZSA-N 1 0 323.397 0.689 20 5 DCBDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000195417679 276071309 /nfs/dbraw/zinc/07/13/09/276071309.db2.gz MKQFKVWGNCKBRP-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)C[NH3+] ZINC000441597595 276594069 /nfs/dbraw/zinc/59/40/69/276594069.db2.gz KLHLYRCGKZXEEZ-SCZZXKLOSA-N 1 0 312.374 0.538 20 5 DCBDRO C[C@@H](Cc1ccncc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562991412 288613750 /nfs/dbraw/zinc/61/37/50/288613750.db2.gz NZKPVXOGZAOKNA-SMDDNHRTSA-N 1 0 305.338 0.768 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC000290985361 290160080 /nfs/dbraw/zinc/16/00/80/290160080.db2.gz SHESSCWXNPNHOI-KOLCDFICSA-N 1 0 305.338 0.619 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC000366305596 301860257 /nfs/dbraw/zinc/86/02/57/301860257.db2.gz KPJXMVNUNNDYJW-IAZYJMLFSA-N 1 0 311.363 0.708 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000583333875 331482991 /nfs/dbraw/zinc/48/29/91/331482991.db2.gz ISOMHTISDCPULA-NSHDSACASA-N 1 0 322.365 0.888 20 5 DCBDRO CC(C)(C)C[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393527879 337092769 /nfs/dbraw/zinc/09/27/69/337092769.db2.gz UUHUNBMHWLEWOJ-ZYHUDNBSSA-N 1 0 300.359 0.539 20 5 DCBDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000582721096 337125010 /nfs/dbraw/zinc/12/50/10/337125010.db2.gz UGCJUJQNEPWAFX-LLVKDONJSA-N 1 0 306.322 0.744 20 5 DCBDRO O=C(CC[NH2+]CC1(CO)COC1)Nc1ccccc1[N+](=O)[O-] ZINC000583024478 337226549 /nfs/dbraw/zinc/22/65/49/337226549.db2.gz COQBKGMBQFEBPS-UHFFFAOYSA-N 1 0 309.322 0.522 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000584520108 337354596 /nfs/dbraw/zinc/35/45/96/337354596.db2.gz BIQZEOUFBSAGNZ-JTQLQIEISA-N 1 0 320.349 0.191 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000577391935 341907705 /nfs/dbraw/zinc/90/77/05/341907705.db2.gz CPFIMIZKHIXJDE-NSHDSACASA-N 1 0 320.349 0.605 20 5 DCBDRO CCc1nn(C)c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000373177955 517870324 /nfs/dbraw/zinc/87/03/24/517870324.db2.gz RNPCSMMWTBIKQE-QWHCGFSZSA-N 1 0 323.397 0.926 20 5 DCBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(N)=O ZINC000191712089 520981838 /nfs/dbraw/zinc/98/18/38/520981838.db2.gz DJMKXDUUNYYHSO-UHFFFAOYSA-N 1 0 312.301 0.870 20 5 DCBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000267016638 521748434 /nfs/dbraw/zinc/74/84/34/521748434.db2.gz IZNIVTKWZQKATG-UHFFFAOYSA-N 1 0 302.356 0.240 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000189645250 523585209 /nfs/dbraw/zinc/58/52/09/523585209.db2.gz XLQWBHXOFKCMPO-UHFFFAOYSA-N 1 0 310.354 0.875 20 5 DCBDRO C[NH+](C)C1CCN(CCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000267219153 524040478 /nfs/dbraw/zinc/04/04/78/524040478.db2.gz SJJZERQSGNQEJU-UHFFFAOYSA-N 1 0 309.374 0.405 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190899835 524964752 /nfs/dbraw/zinc/96/47/52/524964752.db2.gz TWYBHKCLTHIXSF-MBNYWOFBSA-N 1 0 310.350 0.895 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000157822038 525232725 /nfs/dbraw/zinc/23/27/25/525232725.db2.gz MBQKRSKRTQFWMW-CMPLNLGQSA-N 1 0 320.349 0.663 20 5 DCBDRO Cc1sc(C(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237698281 526871900 /nfs/dbraw/zinc/87/19/00/526871900.db2.gz FRMOPVSQCLOZRG-UHFFFAOYSA-N 1 0 312.395 0.990 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237974565 527212074 /nfs/dbraw/zinc/21/20/74/527212074.db2.gz PMQPZLYCXUAALJ-LBPRGKRZSA-N 1 0 316.321 0.739 20 5 DCBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000238010993 527232554 /nfs/dbraw/zinc/23/25/54/527232554.db2.gz PLAWVIFXOPHZOY-ZYHUDNBSSA-N 1 0 308.338 0.390 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000266775216 527415741 /nfs/dbraw/zinc/41/57/41/527415741.db2.gz YBLPESGVRVCGCL-CQSZACIVSA-N 1 0 320.353 0.686 20 5 DCBDRO Cn1cnnc1Sc1ccc(C(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000237946328 527530235 /nfs/dbraw/zinc/53/02/35/527530235.db2.gz HXPLTHRDWTXYMX-UHFFFAOYSA-N 1 0 322.350 0.563 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000825856589 607737685 /nfs/dbraw/zinc/73/76/85/607737685.db2.gz XVSALZCUXPJNBN-ZDUSSCGKSA-N 1 0 321.341 0.499 20 5 DCBDRO [NH3+]CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000237992692 665421829 /nfs/dbraw/zinc/42/18/29/665421829.db2.gz CPBJHUSAQWMGLI-UHFFFAOYSA-N 1 0 324.156 0.594 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cn[nH]n1 ZINC001022350295 657777661 /nfs/dbraw/zinc/77/76/61/657777661.db2.gz KFTCDLOVKQBONN-DTORHVGOSA-N 1 0 322.350 0.825 20 5 DCBDRO CN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000888982287 658720415 /nfs/dbraw/zinc/72/04/15/658720415.db2.gz MMCROJKJQPJELP-UHFFFAOYSA-N 1 0 300.403 0.528 20 5 DCBDRO CC(C)n1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022063599 658815438 /nfs/dbraw/zinc/81/54/38/658815438.db2.gz FSXUDNZJAYMAHB-XJFOESAGSA-N 1 0 321.381 0.866 20 5 DCBDRO Cn1cc(COC(=O)COC2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000923785173 658834878 /nfs/dbraw/zinc/83/48/78/658834878.db2.gz BDQUZLROZWUAMX-UHFFFAOYSA-N 1 0 312.326 0.482 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000924993841 661846223 /nfs/dbraw/zinc/84/62/23/661846223.db2.gz WNGNVZATNAWTNU-HMJDLUCASA-N 1 0 305.334 0.789 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000924996742 661849785 /nfs/dbraw/zinc/84/97/85/661849785.db2.gz BHFPUDMVUUPWIJ-UHFFFAOYSA-N 1 0 301.730 0.902 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000895009083 662042917 /nfs/dbraw/zinc/04/29/17/662042917.db2.gz PVYJXMLCBMQIAP-GFCCVEGCSA-N 1 0 311.367 0.807 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000900332565 663234574 /nfs/dbraw/zinc/23/45/74/663234574.db2.gz YXQKIGYTANCJIC-ZFWWWQNUSA-N 1 0 307.350 0.709 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901135480 663323884 /nfs/dbraw/zinc/32/38/84/663323884.db2.gz NTXUBCCFWMEJOQ-DGCLKSJQSA-N 1 0 307.354 0.924 20 5 DCBDRO Cc1c(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000907695365 663712641 /nfs/dbraw/zinc/71/26/41/663712641.db2.gz KXJQDOCNECXHKA-SWLSCSKDSA-N 1 0 307.350 0.975 20 5 DCBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000908207304 663743904 /nfs/dbraw/zinc/74/39/04/663743904.db2.gz XDPKZQUKSQNMSI-JTQLQIEISA-N 1 0 311.313 0.920 20 5 DCBDRO O=C([C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[NH2+]CC1 ZINC000911656486 664098969 /nfs/dbraw/zinc/09/89/69/664098969.db2.gz OBQAJXKTMRALRV-AWEZNQCLSA-N 1 0 318.333 0.910 20 5 DCBDRO CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000913554622 664501368 /nfs/dbraw/zinc/50/13/68/664501368.db2.gz IXXOHVJAPUFFSN-GFCCVEGCSA-N 1 0 309.322 0.109 20 5 DCBDRO CNS(=O)(=O)c1ccc(N(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071311794 666045908 /nfs/dbraw/zinc/04/59/08/666045908.db2.gz CAZVIHGVRMCMCM-VIFPVBQESA-N 1 0 314.367 0.301 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000861538619 666940181 /nfs/dbraw/zinc/94/01/81/666940181.db2.gz DIJDHIZJOKUVJB-ZETCQYMHSA-N 1 0 314.729 0.992 20 5 DCBDRO NC(=O)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001034719988 667124763 /nfs/dbraw/zinc/12/47/63/667124763.db2.gz DGEWNKIKOMVAOG-HAQNSBGRSA-N 1 0 320.349 0.597 20 5 DCBDRO O=C1COC[C@]2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)COCCN12 ZINC000865801240 667349044 /nfs/dbraw/zinc/34/90/44/667349044.db2.gz SLWZYJUFYKNDPR-HNNXBMFYSA-N 1 0 321.333 0.312 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@@H]([NH2+]CCO)C2)c1 ZINC000923409093 667528555 /nfs/dbraw/zinc/52/85/55/667528555.db2.gz PFGMUIDHTLDTFI-UKRRQHHQSA-N 1 0 309.366 0.675 20 5 DCBDRO CCOC(=O)c1ccnc(N2CCC([NH3+])(CO)CC2)c1[N+](=O)[O-] ZINC000737410669 667602512 /nfs/dbraw/zinc/60/25/12/667602512.db2.gz JLGWRYKTWPLHHL-UHFFFAOYSA-N 1 0 324.337 0.457 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885859921 667712915 /nfs/dbraw/zinc/71/29/15/667712915.db2.gz CZAMMKCVNOUNQN-LBPRGKRZSA-N 1 0 322.365 0.916 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886631876 667784571 /nfs/dbraw/zinc/78/45/71/667784571.db2.gz YLWUYOVGMRLTON-UKRRQHHQSA-N 1 0 307.350 0.993 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000743261105 667805479 /nfs/dbraw/zinc/80/54/79/667805479.db2.gz JSFQQWLIQUYPEK-UONOGXRCSA-N 1 0 324.312 0.615 20 5 DCBDRO CC1(C)CC[N@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000890075130 668091642 /nfs/dbraw/zinc/09/16/42/668091642.db2.gz AMEGZBAJKKNZOJ-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(=O)NC ZINC000764203549 668438588 /nfs/dbraw/zinc/43/85/88/668438588.db2.gz YXRYLARQEJXDKS-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCC[NH+]1CCCCC1 ZINC000770404427 668690937 /nfs/dbraw/zinc/69/09/37/668690937.db2.gz QACDGDAGTRQGQE-UHFFFAOYSA-N 1 0 309.322 0.786 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000777524359 668888350 /nfs/dbraw/zinc/88/83/50/668888350.db2.gz UCNPSABATFQETL-UHFFFAOYSA-N 1 0 307.354 0.947 20 5 DCBDRO CN(C)C(=O)NCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000777715691 668890575 /nfs/dbraw/zinc/89/05/75/668890575.db2.gz GRPOVPGFCQLCBN-CYBMUJFWSA-N 1 0 310.354 0.831 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H](O)CC3(CCOCC3)C2)n1 ZINC000880582629 669243345 /nfs/dbraw/zinc/24/33/45/669243345.db2.gz ALDGSLZINJZVAO-GFCCVEGCSA-N 1 0 310.354 0.655 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000036284297 669330938 /nfs/dbraw/zinc/33/09/38/669330938.db2.gz BRXKUQFOXUUVFR-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO Cc1cc(C(=O)NC[C@](C)(O)CC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000788601639 669449558 /nfs/dbraw/zinc/44/95/58/669449558.db2.gz IRSMPCBKDSVJAP-OAHLLOKOSA-N 1 0 324.381 0.918 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)n1 ZINC000934265115 669588990 /nfs/dbraw/zinc/58/89/90/669588990.db2.gz XIECKKBJPMJNSA-QWHCGFSZSA-N 1 0 309.370 0.322 20 5 DCBDRO C[C@H]1CSCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934301080 669592825 /nfs/dbraw/zinc/59/28/25/669592825.db2.gz SSCTVHYPXWXDSS-CMPLNLGQSA-N 1 0 300.384 0.980 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935980321 669806343 /nfs/dbraw/zinc/80/63/43/669806343.db2.gz HWOLFMMAXBYOBU-BNOWGMLFSA-N 1 0 307.350 0.737 20 5 DCBDRO Nc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157405 670393845 /nfs/dbraw/zinc/39/38/45/670393845.db2.gz WKTJCWHRKVVIGI-NEPJUHHUSA-N 1 0 320.349 0.458 20 5 DCBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000818546358 671030518 /nfs/dbraw/zinc/03/05/18/671030518.db2.gz RPXRWPZNRPSRHL-GFCCVEGCSA-N 1 0 303.322 0.765 20 5 DCBDRO Cn1nccc1CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819235517 671104251 /nfs/dbraw/zinc/10/42/51/671104251.db2.gz PXURYKLRUULXCH-AWEZNQCLSA-N 1 0 320.349 0.900 20 5 DCBDRO O=C1OC[C@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860156031 671184402 /nfs/dbraw/zinc/18/44/02/671184402.db2.gz CRNPGHPITOIBOD-MPKXVKKWSA-N 1 0 322.317 0.439 20 5 DCBDRO Cc1nn(CCc2nc(N3CC[NH2+]CC3)no2)c(C)c1[N+](=O)[O-] ZINC000823314451 671385382 /nfs/dbraw/zinc/38/53/82/671385382.db2.gz DOVIWAOWVPCLSQ-UHFFFAOYSA-N 1 0 321.341 0.443 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000828512601 671554880 /nfs/dbraw/zinc/55/48/80/671554880.db2.gz WOELPRWHNSCBPW-NEPJUHHUSA-N 1 0 307.354 0.652 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750684 671587645 /nfs/dbraw/zinc/58/76/45/671587645.db2.gz TVXZOFIHNHJAEF-ZIAGYGMSSA-N 1 0 307.350 0.739 20 5 DCBDRO Nc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000833566377 671748591 /nfs/dbraw/zinc/74/85/91/671748591.db2.gz VUNIUUKBDYFQFS-LBPRGKRZSA-N 1 0 322.365 0.754 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000841200457 671919554 /nfs/dbraw/zinc/91/95/54/671919554.db2.gz BXIGVHZFVIZPRE-JTQLQIEISA-N 1 0 324.312 0.834 20 5 DCBDRO Cc1cc(S(=O)(=O)N(C)C2C[NH2+]C2)cc([N+](=O)[O-])c1F ZINC000842868014 672043783 /nfs/dbraw/zinc/04/37/83/672043783.db2.gz YCCLLZDYJBIOTJ-UHFFFAOYSA-N 1 0 303.315 0.635 20 5 DCBDRO Cn1cc([C@@H](O)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000843091121 672060462 /nfs/dbraw/zinc/06/04/62/672060462.db2.gz GGMYAEWQJOEJQT-KGLIPLIRSA-N 1 0 306.322 0.685 20 5 DCBDRO CCc1nocc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138917 693709475 /nfs/dbraw/zinc/70/94/75/693709475.db2.gz HYDWDRMSCGZYLU-PRULPYPASA-N 1 0 308.338 0.639 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001543079068 1159817397 /nfs/dbraw/zinc/81/73/97/1159817397.db2.gz HYPFABRPTUPUFG-LBPRGKRZSA-N 1 0 300.403 0.574 20 5 DCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)CN1CC[NH2+]CC1 ZINC001573872397 1163573800 /nfs/dbraw/zinc/57/38/00/1163573800.db2.gz AGKXQRMAXUJTNE-UHFFFAOYSA-N 1 0 306.366 0.501 20 5 DCBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC[NH2+]1 ZINC001575728735 1164123731 /nfs/dbraw/zinc/12/37/31/1164123731.db2.gz LRKPELOJTBBNEB-UHFFFAOYSA-N 1 0 318.341 0.545 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001576149361 1164252454 /nfs/dbraw/zinc/25/24/54/1164252454.db2.gz GHKJTDNDXXESLN-MRVPVSSYSA-N 1 0 315.351 0.418 20 5 DCBDRO C[C@]1(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C[NH2+]CCO1 ZINC001576507731 1164369655 /nfs/dbraw/zinc/36/96/55/1164369655.db2.gz FDKANYBDJFZRMZ-TZMCWYRMSA-N 1 0 309.322 0.123 20 5 DCBDRO CNC(=O)CCCN(C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001578550232 1165056239 /nfs/dbraw/zinc/05/62/39/1165056239.db2.gz KTQNLCFVSQYRDL-OAHLLOKOSA-N 1 0 322.365 0.753 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001578649826 1165079836 /nfs/dbraw/zinc/07/98/36/1165079836.db2.gz OZJNWPBUVWUXEY-CYBMUJFWSA-N 1 0 320.349 0.588 20 5 DCBDRO C[NH2+]CCOCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001578712419 1165089385 /nfs/dbraw/zinc/08/93/85/1165089385.db2.gz NEGNJTHSALRIPE-UHFFFAOYSA-N 1 0 311.294 0.289 20 5 DCBDRO COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC12C[NH2+]C2 ZINC001578796409 1165116407 /nfs/dbraw/zinc/11/64/07/1165116407.db2.gz WAVPKELKQSLZRM-GFCCVEGCSA-N 1 0 319.317 0.429 20 5 DCBDRO COc1ccc(C(=O)CNC(=O)[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001579188914 1165233397 /nfs/dbraw/zinc/23/33/97/1165233397.db2.gz SIKFOKGYXRVIAG-BDAKNGLRSA-N 1 0 309.322 0.886 20 5 DCBDRO COc1ccc(C(=O)CNC(=O)[C@H]2CC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001579188550 1165233474 /nfs/dbraw/zinc/23/34/74/1165233474.db2.gz KHFOUJAJZIIOIL-SNVBAGLBSA-N 1 0 319.317 0.512 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001579242674 1165248278 /nfs/dbraw/zinc/24/82/78/1165248278.db2.gz XBBWRQJLIIEFBS-NEPJUHHUSA-N 1 0 306.322 0.859 20 5 DCBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001579465255 1165317995 /nfs/dbraw/zinc/31/79/95/1165317995.db2.gz REXUQRFONDQLJU-PSASIEDQSA-N 1 0 320.305 0.227 20 5 DCBDRO Cc1cc(OCC(=O)NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001579639844 1165368290 /nfs/dbraw/zinc/36/82/90/1165368290.db2.gz VHCRPNHKPVGSGF-GFCCVEGCSA-N 1 0 309.322 0.387 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC001579667320 1165373541 /nfs/dbraw/zinc/37/35/41/1165373541.db2.gz LGLSSLXYNQSQHH-MPKXVKKWSA-N 1 0 322.365 0.844 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001579869068 1165417021 /nfs/dbraw/zinc/41/70/21/1165417021.db2.gz QNRIOIFYFVAHRK-SMDDNHRTSA-N 1 0 307.354 0.891 20 5 DCBDRO O=[N+]([O-])c1cc(CO)c(N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC001580874879 1165748326 /nfs/dbraw/zinc/74/83/26/1165748326.db2.gz NEMQSDPITMIKHR-GFCCVEGCSA-N 1 0 324.356 0.710 20 5 DCBDRO O=[N+]([O-])c1cnc2c(Cl)cccc2c1NCC1(O)C[NH2+]C1 ZINC001580876010 1165748776 /nfs/dbraw/zinc/74/87/76/1165748776.db2.gz WLOIHYUKVQTVJZ-UHFFFAOYSA-N 1 0 308.725 0.965 20 5 DCBDRO C[C@@H]([NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@H](C)CO ZINC001589887247 1166707607 /nfs/dbraw/zinc/70/76/07/1166707607.db2.gz PWOSHGDUUMZIQR-RKDXNWHRSA-N 1 0 306.326 0.881 20 5 DCBDRO CC[N@@H+]1CC[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001590731316 1166988466 /nfs/dbraw/zinc/98/84/66/1166988466.db2.gz NZFSHEVWPVXNIG-QMMMGPOBSA-N 1 0 304.314 0.676 20 5 DCBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591058546 1167096812 /nfs/dbraw/zinc/09/68/12/1167096812.db2.gz UUNFPPJOWRYQKV-SNVBAGLBSA-N 1 0 318.341 0.700 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001591168171 1167121716 /nfs/dbraw/zinc/12/17/16/1167121716.db2.gz HTQMNYOANHLGHI-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO O=[N+]([O-])c1cnc(N[C@@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c1 ZINC001593484562 1167867900 /nfs/dbraw/zinc/86/79/00/1167867900.db2.gz FROUKXWKFYXGAO-LLVKDONJSA-N 1 0 316.325 0.676 20 5 DCBDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])CC(C)(C)O ZINC001604807242 1169692873 /nfs/dbraw/zinc/69/28/73/1169692873.db2.gz JRZADDDISSLWIZ-UHFFFAOYSA-N 1 0 306.326 0.978 20 5 DCBDRO O=[N+]([O-])c1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1-c1nn[nH]n1 ZINC001607078889 1170382744 /nfs/dbraw/zinc/38/27/44/1170382744.db2.gz QWSNEAPRPNVYPX-IUCAKERBSA-N 1 0 301.310 0.431 20 5 DCBDRO CC1(C)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001609146781 1170826205 /nfs/dbraw/zinc/82/62/05/1170826205.db2.gz WJVMDTZEHRJJIV-LBPRGKRZSA-N 1 0 318.337 0.978 20 5 DCBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001612950147 1171365983 /nfs/dbraw/zinc/36/59/83/1171365983.db2.gz GTWMTPXJHRVOSJ-KOLCDFICSA-N 1 0 322.369 0.135 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)n1 ZINC001615838279 1171376438 /nfs/dbraw/zinc/37/64/38/1171376438.db2.gz NTDSJWQUGQOPNX-UHFFFAOYSA-N 1 0 324.385 0.084 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001618679715 1171399915 /nfs/dbraw/zinc/39/99/15/1171399915.db2.gz ODYLKMDTTUTPMT-ZDUSSCGKSA-N 1 0 323.349 0.201 20 5 DCBDRO C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC001621459515 1171409902 /nfs/dbraw/zinc/40/99/02/1171409902.db2.gz LCNTYQFKWDWVOM-XNWIYYODSA-N 1 0 302.356 0.518 20 5 DCBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC001621538532 1171412272 /nfs/dbraw/zinc/41/22/72/1171412272.db2.gz LYSNVILCHMADOZ-GXFFZTMASA-N 1 0 324.333 0.959 20 5 DCBDRO C[NH+](C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001622032593 1171417207 /nfs/dbraw/zinc/41/72/07/1171417207.db2.gz GTOAWDVYRAZOAE-GHMZBOCLSA-N 1 0 314.367 0.751 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC001623852842 1171445782 /nfs/dbraw/zinc/44/57/82/1171445782.db2.gz KNYGSKHKZCIJRP-LLVKDONJSA-N 1 0 322.365 0.754 20 5 DCBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001632472982 1171616614 /nfs/dbraw/zinc/61/66/14/1171616614.db2.gz RBENWJSLRWDHAI-GFCCVEGCSA-N 1 0 322.365 0.746 20 5 DCBDRO Nc1ncc(C(=O)N2CCC([NH+]3CCC3)CC2)cc1[N+](=O)[O-] ZINC001641906098 1171932115 /nfs/dbraw/zinc/93/21/15/1171932115.db2.gz SYAQLEIGBNJUDR-UHFFFAOYSA-N 1 0 305.338 0.882 20 5 DCBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001645427203 1172041539 /nfs/dbraw/zinc/04/15/39/1172041539.db2.gz ZZRYWRGKWNWRGS-VIFPVBQESA-N 1 0 309.297 0.937 20 5 DCBDRO O=C(N[C@H]1CCC[C@H]1[NH+]1CCC(O)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC001650739564 1173730498 /nfs/dbraw/zinc/73/04/98/1173730498.db2.gz NOKLUGVTEOBVTP-CMPLNLGQSA-N 1 0 323.353 0.426 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC001654517602 1173806312 /nfs/dbraw/zinc/80/63/12/1173806312.db2.gz LEQZEKKWFAMXED-LXTVHRRPSA-N 1 0 324.381 0.778 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC001654517603 1173806730 /nfs/dbraw/zinc/80/67/30/1173806730.db2.gz LEQZEKKWFAMXED-TUVASFSCSA-N 1 0 324.381 0.778 20 5 DCBDRO CC(C)(O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001655349604 1173819562 /nfs/dbraw/zinc/81/95/62/1173819562.db2.gz MTXXKDKNFSHTSV-CYBMUJFWSA-N 1 0 312.370 0.635 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001655439190 1173820168 /nfs/dbraw/zinc/82/01/68/1173820168.db2.gz JRRMSTAVPFSJMN-CMPLNLGQSA-N 1 0 304.310 0.631 20 5 DCBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H](CO)[C@H](CCO)C1 ZINC001655898378 1173830755 /nfs/dbraw/zinc/83/07/55/1173830755.db2.gz IJFZZGWFFJOKFI-CHWSQXEVSA-N 1 0 310.350 0.896 20 5 DCBDRO NC(=O)CC(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001663710434 1174344748 /nfs/dbraw/zinc/34/47/48/1174344748.db2.gz LBMZXFJQYLDAFU-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO Cc1cncc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)c1 ZINC001699650977 1178239890 /nfs/dbraw/zinc/23/98/90/1178239890.db2.gz IACBSLPZCIOUNS-CHWSQXEVSA-N 1 0 304.350 0.794 20 5 DCBDRO CCN(CC[NH2+]Cc1cccnc1OC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715731166 1181964850 /nfs/dbraw/zinc/96/48/50/1181964850.db2.gz LHJCWEVWHUJDLK-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO CCNC(=O)CC(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001753181308 1185173969 /nfs/dbraw/zinc/17/39/69/1185173969.db2.gz DUYJGFOSVXYUOJ-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC(C)(C)O ZINC001731905562 1185563383 /nfs/dbraw/zinc/56/33/83/1185563383.db2.gz JPXDJLZFGIYSRR-UHFFFAOYSA-N 1 0 313.358 0.037 20 5 DCBDRO O=C(NCC1(O)C[NH+](CC2CCCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733500489 1186308970 /nfs/dbraw/zinc/30/89/70/1186308970.db2.gz SGXGIIZUNRJJEB-CHWSQXEVSA-N 1 0 311.382 0.395 20 5 DCBDRO CN(CC(C)(C)C[NH2+]CCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755281005 1189068907 /nfs/dbraw/zinc/06/89/07/1189068907.db2.gz UQTCZTNZCBMCGH-CHWSQXEVSA-N 1 0 323.397 0.623 20 5 DCBDRO Cc1nc(Cl)nc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1[N+](=O)[O-] ZINC001164666389 719371080 /nfs/dbraw/zinc/37/10/80/719371080.db2.gz FXAFLQZKOLBKCO-BDAKNGLRSA-N 1 0 313.745 0.866 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164671286 719378890 /nfs/dbraw/zinc/37/88/90/719378890.db2.gz VXOKXAYBLHTFGX-DTWKUNHWSA-N 1 0 313.745 0.866 20 5 DCBDRO CN1CC[NH2+]C[C@H]1c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001212224453 751358365 /nfs/dbraw/zinc/35/83/65/751358365.db2.gz MORMGUQFFWIQQR-VIFPVBQESA-N 1 0 308.273 0.755 20 5 DCBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001167080422 746951637 /nfs/dbraw/zinc/95/16/37/746951637.db2.gz QRTGOPVSRQVRDI-QZHINBJYSA-N 1 0 317.349 0.685 20 5 DCBDRO Cn1oc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1=O ZINC001126292175 748385584 /nfs/dbraw/zinc/38/55/84/748385584.db2.gz NGGQYHQWJUQXRN-UHFFFAOYSA-N 1 0 320.305 0.406 20 5 DCBDRO Cn1ncc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001168325826 749917989 /nfs/dbraw/zinc/91/79/89/749917989.db2.gz CLJMUTILAIWKCF-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO CN1CCN(C(=[NH2+])Nc2cc([N+](=O)[O-])c3nncn3c2)CC1 ZINC001168741297 754049109 /nfs/dbraw/zinc/04/91/09/754049109.db2.gz WHPCCHCMVRWVBM-UHFFFAOYSA-N 1 0 304.314 0.232 20 5 DCBDRO [NH3+][C@H]1CCN(c2cc([N+](=O)[O-])cc(Br)[n+]2[O-])C1 ZINC001164281852 756635297 /nfs/dbraw/zinc/63/52/97/756635297.db2.gz PDJIXEVKZBUEHO-LURJTMIESA-N 1 0 303.116 0.528 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCN1C ZINC000823784650 758273959 /nfs/dbraw/zinc/27/39/59/758273959.db2.gz OFMGAWUKSYROII-GWCFXTLKSA-N 1 0 307.354 0.354 20 5 DCBDRO CCCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098365324 758767251 /nfs/dbraw/zinc/76/72/51/758767251.db2.gz KGJVENXKZBEOFR-ZIAGYGMSSA-N 1 0 313.398 0.737 20 5 DCBDRO CCc1nocc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086083156 759692766 /nfs/dbraw/zinc/69/27/66/759692766.db2.gz PNBQJHFCHIDNRA-RFVSLCSESA-N 1 0 322.365 0.887 20 5 DCBDRO [NH3+]CCN(CCNc1cc([N+](=O)[O-])cc(Cl)n1)N(O)N=O ZINC001161087277 767902944 /nfs/dbraw/zinc/90/29/44/767902944.db2.gz KRCMDJCTEVSDJW-UHFFFAOYSA-N 1 0 319.709 0.603 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCn2cccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363536 760102575 /nfs/dbraw/zinc/10/25/75/760102575.db2.gz ZWKBCRODISNSSH-FDYHWXHSSA-N 1 0 307.354 0.033 20 5 DCBDRO Cc1cnc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001086363936 760106450 /nfs/dbraw/zinc/10/64/50/760106450.db2.gz OHCYKELQEVRNLW-HBJVGIJOSA-N 1 0 319.365 0.435 20 5 DCBDRO CCOC(=O)c1cnc(-n2cc(CC[NH3+])cn2)c([N+](=O)[O-])c1 ZINC001168948316 760521343 /nfs/dbraw/zinc/52/13/43/760521343.db2.gz MFKRCMBAPWAHJT-UHFFFAOYSA-N 1 0 305.294 0.853 20 5 DCBDRO CC(=O)N[C@@H](CCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168977378 760527526 /nfs/dbraw/zinc/52/75/26/760527526.db2.gz BCQWTHPOTJEKSH-AGIUHOORSA-N 1 0 314.386 0.182 20 5 DCBDRO [NH3+]Cc1cccc(S(=O)(=O)N[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978788 760528175 /nfs/dbraw/zinc/52/81/75/760528175.db2.gz UFZYBMVEQBQZKB-NWDGAFQWSA-N 1 0 313.379 0.869 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCCC2)C1 ZINC001168978792 760528651 /nfs/dbraw/zinc/52/86/51/760528651.db2.gz UHIVCWTWNXZCML-NWDGAFQWSA-N 1 0 305.400 0.447 20 5 DCBDRO CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2O1 ZINC001168975491 760536390 /nfs/dbraw/zinc/53/63/90/760536390.db2.gz VYZCVLDBXBAHQC-RBBWPXTMSA-N 1 0 300.355 0.675 20 5 DCBDRO CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169002273 760541248 /nfs/dbraw/zinc/54/12/48/760541248.db2.gz JXSJYEMGXBIGNC-YFKTTZPYSA-N 1 0 314.386 0.036 20 5 DCBDRO CN(C)CC(=O)N[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001169056301 760565899 /nfs/dbraw/zinc/56/58/99/760565899.db2.gz RJUOVUGGKUIIHH-MGPQQGTHSA-N 1 0 312.414 0.574 20 5 DCBDRO COc1nc(C)c(-n2cncc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169075049 760574636 /nfs/dbraw/zinc/57/46/36/760574636.db2.gz UQUNWZZWARPAFH-SECBINFHSA-N 1 0 307.310 0.355 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cncc2C[C@@H]([NH3+])CO)c1 ZINC001169076079 760575824 /nfs/dbraw/zinc/57/58/24/760575824.db2.gz LMWMSJURIJJFJA-SNVBAGLBSA-N 1 0 320.305 0.429 20 5 DCBDRO O=C(CCn1cncn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123659899 768040921 /nfs/dbraw/zinc/04/09/21/768040921.db2.gz SIMBWWOCANEMAG-UHFFFAOYSA-N 1 0 324.366 0.544 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc(CC[NH3+])n1 ZINC001156898603 761547893 /nfs/dbraw/zinc/54/78/93/761547893.db2.gz SUGWVNAQYYJPNC-UHFFFAOYSA-N 1 0 305.294 0.853 20 5 DCBDRO CC[C@@]([NH3+])(CO)Nc1cc(OC)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001170864275 766155465 /nfs/dbraw/zinc/15/54/65/766155465.db2.gz SMPIWSHUTXAIPR-ZDUSSCGKSA-N 1 0 313.310 0.859 20 5 DCBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@H]2C[NH2+]C[C@@H]2CO)nc1Cl ZINC001159672298 766198894 /nfs/dbraw/zinc/19/88/94/766198894.db2.gz ODMMKYWUJOGSCY-RQJHMYQMSA-N 1 0 322.699 0.862 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001170995858 766386149 /nfs/dbraw/zinc/38/61/49/766386149.db2.gz DMPAHEVCRDHTOD-UHFFFAOYSA-N 1 0 323.353 0.695 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001118934862 766476779 /nfs/dbraw/zinc/47/67/79/766476779.db2.gz KKXMJIYGCSIZEW-UHFFFAOYSA-N 1 0 323.353 0.645 20 5 DCBDRO CC[N@H+](C)CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001093174795 768480884 /nfs/dbraw/zinc/48/08/84/768480884.db2.gz IDDHBMMGUZDQKR-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO C[NH+](C)CCOCC(=O)NCCNc1ccc([N+](=O)[O-])cn1 ZINC001093750427 768711737 /nfs/dbraw/zinc/71/17/37/768711737.db2.gz ZKLUHVWWQUFECY-UHFFFAOYSA-N 1 0 311.342 0.096 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc[nH]c2cc(=O)ccc1-2 ZINC001231117863 769175812 /nfs/dbraw/zinc/17/58/12/769175812.db2.gz GALQLFPZGGOHNL-LLVKDONJSA-O 1 0 306.342 0.698 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224482 769566521 /nfs/dbraw/zinc/56/65/21/769566521.db2.gz NKIVILWFESXVSP-QWRGUYRKSA-N 1 0 323.349 0.793 20 5 DCBDRO COC(=O)c1ccnc(N2CCOC[C@@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001154976557 770357949 /nfs/dbraw/zinc/35/79/49/770357949.db2.gz ILYWQXFZHANCCC-JTQLQIEISA-N 1 0 324.337 0.543 20 5 DCBDRO Cc1cc(Cl)nc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570247 770547687 /nfs/dbraw/zinc/54/76/87/770547687.db2.gz LJZUHYDQPVQMDB-MADCSZMMSA-N 1 0 311.729 0.942 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)N1 ZINC001155573191 770549765 /nfs/dbraw/zinc/54/97/65/770549765.db2.gz AJKLDQABVBEAAY-TVQRCGJNSA-N 1 0 302.294 0.461 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCOCCCO)CC2)cn1 ZINC001181697743 771337642 /nfs/dbraw/zinc/33/76/42/771337642.db2.gz NCGKBXHZQGKWJE-UHFFFAOYSA-N 1 0 324.381 0.947 20 5 DCBDRO CC(C)n1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767804 771666499 /nfs/dbraw/zinc/66/64/99/771666499.db2.gz VKAUSEGGGKBODC-GHMZBOCLSA-N 1 0 310.358 0.120 20 5 DCBDRO [NH3+]Cc1nnnn1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1 ZINC001158075140 771722055 /nfs/dbraw/zinc/72/20/55/771722055.db2.gz XHCJHNNUAPMGIC-UHFFFAOYSA-N 1 0 305.632 0.686 20 5 DCBDRO Cc1cc(-n2nnnc2C[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001158080217 771722882 /nfs/dbraw/zinc/72/28/82/771722882.db2.gz HYLQSOOHDRQGCF-UHFFFAOYSA-N 1 0 312.293 0.795 20 5 DCBDRO CCN(c1nc(OC)c([N+](=O)[O-])c(OC)n1)[C@@H]1CCC[NH2+]C1 ZINC001158205189 771740853 /nfs/dbraw/zinc/74/08/53/771740853.db2.gz NFOPZLGYMAAIHO-SECBINFHSA-N 1 0 311.342 0.980 20 5 DCBDRO CN1CC[NH+](CC2CN(C(=O)c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC001159367139 771902255 /nfs/dbraw/zinc/90/22/55/771902255.db2.gz WNHDOUZYOXENOW-UHFFFAOYSA-N 1 0 319.365 0.309 20 5 DCBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001159452329 771912585 /nfs/dbraw/zinc/91/25/85/771912585.db2.gz BHAORLWNENGYKD-UHFFFAOYSA-N 1 0 308.294 0.451 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001159488626 771917861 /nfs/dbraw/zinc/91/78/61/771917861.db2.gz FFPQCWBXBSCGLF-LDYMZIIASA-N 1 0 310.310 0.565 20 5 DCBDRO [NH3+]CCN(CCNc1ncc([N+](=O)[O-])cc1Cl)N(O)N=O ZINC001161086856 772164881 /nfs/dbraw/zinc/16/48/81/772164881.db2.gz FKDKJYBUJQTWSX-UHFFFAOYSA-N 1 0 319.709 0.603 20 5 DCBDRO COc1nc(NCCCN2CC[NH+](C)CC2)nc(C)c1[N+](=O)[O-] ZINC001161700469 772268175 /nfs/dbraw/zinc/26/81/75/772268175.db2.gz CXEGTGMLLQHHIT-UHFFFAOYSA-N 1 0 324.385 0.751 20 5 DCBDRO COC(=O)c1ccc(C[NH3+])n1-c1nc(OC)nc(C)c1[N+](=O)[O-] ZINC001161933994 772301627 /nfs/dbraw/zinc/30/16/27/772301627.db2.gz FSFBTLOHLJMFNP-UHFFFAOYSA-N 1 0 321.293 0.738 20 5 DCBDRO COC(=O)c1cnc(NC[C@H]2C[NH2+]CC(C)(C)O2)c([N+](=O)[O-])c1 ZINC001161954041 772305967 /nfs/dbraw/zinc/30/59/67/772305967.db2.gz KDXJYXQUFDHKME-SNVBAGLBSA-N 1 0 324.337 0.955 20 5 DCBDRO CCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])(COC)CC1 ZINC001162270389 772349862 /nfs/dbraw/zinc/34/98/62/772349862.db2.gz HZYYPVCCRLSYRR-CHWSQXEVSA-N 1 0 313.398 0.906 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC001162351457 772365408 /nfs/dbraw/zinc/36/54/08/772365408.db2.gz OUJBVXXIWZUPSE-JTQLQIEISA-N 1 0 310.358 0.328 20 5 DCBDRO COc1cc(NCc2nnn3c2C[NH2+]CCC3)cnc1[N+](=O)[O-] ZINC001162978008 772438832 /nfs/dbraw/zinc/43/88/32/772438832.db2.gz SODFFNNDXUHYIR-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163080400 772455481 /nfs/dbraw/zinc/45/54/81/772455481.db2.gz FQWLCKLFLUGTLU-NSHDSACASA-N 1 0 322.321 0.567 20 5 DCBDRO CN1CCc2c(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)ccc([N+](=O)[O-])c2C1 ZINC001163147290 772471851 /nfs/dbraw/zinc/47/18/51/772471851.db2.gz NHCIJFFZAPBHOP-BPLDGKMQSA-N 1 0 318.377 0.981 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163158302 772474281 /nfs/dbraw/zinc/47/42/81/772474281.db2.gz HTYZOOXTKORMEK-XPTSAGLGSA-N 1 0 322.321 0.424 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163191404 772479189 /nfs/dbraw/zinc/47/91/89/772479189.db2.gz LKJZWYQZTXJDCS-RDDDGLTNSA-N 1 0 300.702 0.424 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)N1 ZINC001163240150 772487945 /nfs/dbraw/zinc/48/79/45/772487945.db2.gz XKHOWNNVQHBVAS-SWLSCSKDSA-N 1 0 317.349 0.859 20 5 DCBDRO CCOC(=O)c1nc(Cl)nc(N(C)CC[NH2+]C)c1[N+](=O)[O-] ZINC001163717095 772561727 /nfs/dbraw/zinc/56/17/27/772561727.db2.gz GFBIDIFBUBTPKJ-UHFFFAOYSA-N 1 0 317.733 0.871 20 5 DCBDRO COc1nc(N2C[C@@H](C)CC[C@H]2C[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001164070918 772610525 /nfs/dbraw/zinc/61/05/25/772610525.db2.gz QETSOMOQIHQZNZ-IUCAKERBSA-N 1 0 311.342 0.966 20 5 DCBDRO COc1cnc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165288538 772718216 /nfs/dbraw/zinc/71/82/16/772718216.db2.gz OEJSZMKYHGTSNS-ZWNOBZJWSA-N 1 0 308.338 0.813 20 5 DCBDRO O=C1NCCN(c2nc3ccccc3cc2[N+](=O)[O-])C12C[NH2+]C2 ZINC001165302603 772721599 /nfs/dbraw/zinc/72/15/99/772721599.db2.gz UBMIOGUXHLSWDW-UHFFFAOYSA-N 1 0 313.317 0.421 20 5 DCBDRO Cc1nc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)ccc1[N+](=O)[O-] ZINC001165344180 772725703 /nfs/dbraw/zinc/72/57/03/772725703.db2.gz NXZAWWQVVLUMPC-OAHLLOKOSA-N 1 0 322.365 0.884 20 5 DCBDRO Cc1nc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)ncc1[N+](=O)[O-] ZINC001166703106 772844182 /nfs/dbraw/zinc/84/41/82/772844182.db2.gz XOGBUZBAEGBDKP-VIFPVBQESA-N 1 0 301.310 0.783 20 5 DCBDRO CC1(C(N)=O)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001166705386 772844621 /nfs/dbraw/zinc/84/46/21/772844621.db2.gz IMZAWIAFUGWWNY-UHFFFAOYSA-N 1 0 320.353 0.163 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N2C[C@@H]([NH3+])[C@@H](F)C2)c1[N+](=O)[O-] ZINC001166928658 772882465 /nfs/dbraw/zinc/88/24/65/772882465.db2.gz JTOJAIDFMNXVPN-CRCLSJGQSA-N 1 0 319.680 0.310 20 5 DCBDRO CCOC(=O)c1ccnc(N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001166940018 772884679 /nfs/dbraw/zinc/88/46/79/772884679.db2.gz PHBADRULTSUBSV-VIFPVBQESA-N 1 0 310.310 0.330 20 5 DCBDRO CS(=O)(=O)N(c1cnc2cc([N+](=O)[O-])ccc2n1)C1C[NH2+]C1 ZINC001166968229 772892724 /nfs/dbraw/zinc/89/27/24/772892724.db2.gz RJBOXLKAIWVDCN-UHFFFAOYSA-N 1 0 323.334 0.276 20 5 DCBDRO COC(=O)C1(Nc2cccc3ncc([N+](=O)[O-])n32)CC[NH2+]CC1 ZINC001166969244 772893727 /nfs/dbraw/zinc/89/37/27/772893727.db2.gz VGLNEOHRUHADKW-UHFFFAOYSA-N 1 0 319.321 0.950 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCOCC2CC2)CC1 ZINC001195768611 773471415 /nfs/dbraw/zinc/47/14/15/773471415.db2.gz FGEKIEQTLPCYED-ZIAGYGMSSA-N 1 0 311.382 0.613 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001196869605 773661639 /nfs/dbraw/zinc/66/16/39/773661639.db2.gz NRAOLPZWXZEGGO-CQSZACIVSA-N 1 0 311.338 0.910 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001218858999 774316622 /nfs/dbraw/zinc/31/66/22/774316622.db2.gz HSOZBLWRSZXREW-FVMDXXJSSA-N 1 0 323.356 0.884 20 5 DCBDRO CC(=O)N1CCC(COC(=O)C[C@@H](O)C[N+](C)(C)C)CC1 ZINC001224280432 775552159 /nfs/dbraw/zinc/55/21/59/775552159.db2.gz XKSZVYWRWZIAMW-CQSZACIVSA-N 1 0 301.407 0.245 20 5 DCBDRO Cn1c(=O)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c2ccccc21 ZINC001227089420 775924243 /nfs/dbraw/zinc/92/42/43/775924243.db2.gz VDFXFOQDRUDOMF-GFCCVEGCSA-N 1 0 319.381 0.901 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC1N=NC(=O)N1c1ccccc1 ZINC001228132307 776049762 /nfs/dbraw/zinc/04/97/62/776049762.db2.gz OEEPNVFTEBMRNB-GFCCVEGCSA-O 1 0 321.357 0.336 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Br)nn1 ZINC001228279267 776062955 /nfs/dbraw/zinc/06/29/55/776062955.db2.gz IDLZZAXWFYVOJK-MRVPVSSYSA-N 1 0 319.179 0.602 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(O)cc2oc(=O)ccc12 ZINC001229136726 776162795 /nfs/dbraw/zinc/16/27/95/776162795.db2.gz ZCAVOFMEFZHNRY-LLVKDONJSA-O 1 0 322.337 0.861 20 5 DCBDRO Cc1nsc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696931 939213089 /nfs/dbraw/zinc/21/30/89/939213089.db2.gz XJPNRRBUWBPEEY-ZYHUDNBSSA-N 1 0 312.395 0.973 20 5 DCBDRO COCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001267599396 939541461 /nfs/dbraw/zinc/54/14/61/939541461.db2.gz NKFPBWJPJVFFDJ-ZIAGYGMSSA-N 1 0 313.398 0.859 20 5 DCBDRO C[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]CC[C@@H]1O ZINC001247751839 945571554 /nfs/dbraw/zinc/57/15/54/945571554.db2.gz MHKQSOOMPIXFLO-ZANVPECISA-N 1 0 323.284 0.791 20 5 DCBDRO CC(CO)(CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464469 946396039 /nfs/dbraw/zinc/39/60/39/946396039.db2.gz FUXRMVKWSFDMKZ-UHFFFAOYSA-N 1 0 309.366 0.897 20 5 DCBDRO Cc1noc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001323438231 947082453 /nfs/dbraw/zinc/08/24/53/947082453.db2.gz YKJXSUFXRONCOH-ZYHUDNBSSA-N 1 0 308.338 0.695 20 5 DCBDRO CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001261495025 947321811 /nfs/dbraw/zinc/32/18/11/947321811.db2.gz OMEZLTFBPNNCBW-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO C[NH+](C)C1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC001324626870 947485383 /nfs/dbraw/zinc/48/53/83/947485383.db2.gz JQMSNAINTYJAHE-UHFFFAOYSA-N 1 0 303.322 0.717 20 5 DCBDRO Cc1nc(N2CC[NH+](CCCCCO)CC2)ncc1[N+](=O)[O-] ZINC001262372217 947665642 /nfs/dbraw/zinc/66/56/42/947665642.db2.gz KTPHAMRGJXTPOM-UHFFFAOYSA-N 1 0 309.370 0.978 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001263143783 947814641 /nfs/dbraw/zinc/81/46/41/947814641.db2.gz OGIGSFXULDWVEY-UHFFFAOYSA-N 1 0 323.397 0.739 20 5 DCBDRO C[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001325498837 947817603 /nfs/dbraw/zinc/81/76/03/947817603.db2.gz AFSSITWIDUPLSI-GFCCVEGCSA-N 1 0 320.349 0.421 20 5 DCBDRO [NH3+]CCCOC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC001326584718 948207066 /nfs/dbraw/zinc/20/70/66/948207066.db2.gz YISMOOZKPGABFE-UHFFFAOYSA-N 1 0 311.342 0.148 20 5 DCBDRO O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1)N1CC[NH2+]CC1 ZINC001328491685 948921240 /nfs/dbraw/zinc/92/12/40/948921240.db2.gz ISBYZAJSXWCSHS-UHFFFAOYSA-N 1 0 318.377 0.991 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC001328827369 949120047 /nfs/dbraw/zinc/12/00/47/949120047.db2.gz IHXRXKDHKUQIKR-NSHDSACASA-N 1 0 323.353 0.311 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001330308641 950266508 /nfs/dbraw/zinc/26/65/08/950266508.db2.gz ZXGCPNDCISFTBV-VXGBXAGGSA-N 1 0 320.349 0.452 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC001332523704 951679324 /nfs/dbraw/zinc/67/93/24/951679324.db2.gz VLYVNQLVXRULLN-CABCVRRESA-N 1 0 307.350 0.379 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC([NH+](C)C)C1 ZINC001333151292 951936480 /nfs/dbraw/zinc/93/64/80/951936480.db2.gz YJHDVYAHMLAHJP-UHFFFAOYSA-N 1 0 306.322 0.614 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001334868486 952405279 /nfs/dbraw/zinc/40/52/79/952405279.db2.gz QFJYSMRRADCFBX-GFCCVEGCSA-N 1 0 320.349 0.453 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]2C1 ZINC001339666215 953110538 /nfs/dbraw/zinc/11/05/38/953110538.db2.gz LKIHKEGNWMDMAK-GRYCIOLGSA-N 1 0 308.386 0.758 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341098893 953210089 /nfs/dbraw/zinc/21/00/89/953210089.db2.gz WNNQVQXKOHRWAI-MELADBBJSA-N 1 0 305.334 0.803 20 5 DCBDRO CN(CC(=O)N[C@@H]1COC2(C[NH2+]C2)C1)c1ccccc1[N+](=O)[O-] ZINC001342125483 953271329 /nfs/dbraw/zinc/27/13/29/953271329.db2.gz JMHYGRQMNJPJRS-NSHDSACASA-N 1 0 320.349 0.278 20 5 DCBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCNCC[NH2+]CC2)c1 ZINC001342720734 953304753 /nfs/dbraw/zinc/30/47/53/953304753.db2.gz OXIOMZGZLGHNJX-UHFFFAOYSA-N 1 0 324.406 0.952 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001343104320 953321956 /nfs/dbraw/zinc/32/19/56/953321956.db2.gz LZVFIFOSRAFDCC-LBPRGKRZSA-N 1 0 322.365 0.844 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001343299301 953336071 /nfs/dbraw/zinc/33/60/71/953336071.db2.gz JTMWVNPAOYZBIM-CJNGLKHVSA-N 1 0 319.361 0.880 20 5 DCBDRO CSc1ccc(C(=O)N2CC[NH2+]C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001344516476 953492627 /nfs/dbraw/zinc/49/26/27/953492627.db2.gz BHHKPFWIKLDLAH-SNVBAGLBSA-N 1 0 311.363 0.723 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001345121136 953596880 /nfs/dbraw/zinc/59/68/80/953596880.db2.gz WDSHYPPCMKQCIZ-UHFFFAOYSA-N 1 0 320.349 0.893 20 5 DCBDRO COc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001346532700 953912618 /nfs/dbraw/zinc/91/26/18/953912618.db2.gz USJAFPACSCAAHQ-MFKMUULPSA-N 1 0 320.349 0.930 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC001347174520 954038805 /nfs/dbraw/zinc/03/88/05/954038805.db2.gz FFSVMAGEEJNAMH-OAHLLOKOSA-N 1 0 323.349 0.499 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001348128480 954204637 /nfs/dbraw/zinc/20/46/37/954204637.db2.gz VQCFVCPPRPPFGP-IJLUTSLNSA-N 1 0 307.354 0.556 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348603065 954384740 /nfs/dbraw/zinc/38/47/40/954384740.db2.gz AGGQTTSZSPTTFA-ZDUSSCGKSA-N 1 0 320.349 0.537 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001348971319 954552534 /nfs/dbraw/zinc/55/25/34/954552534.db2.gz TUHVBNVSVIDPQH-VXGBXAGGSA-N 1 0 320.349 0.309 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(c3nnc(C[N+](=O)[O-])n3CC3CC3)CC[C@H]21 ZINC001350509441 955119671 /nfs/dbraw/zinc/11/96/71/955119671.db2.gz SGIKSYMMZXVUSH-QWHCGFSZSA-N 1 0 320.397 0.995 20 5 DCBDRO C[C@H](CNC(=O)[C@H]1C[NH2+]CCN1C)c1ccccc1[N+](=O)[O-] ZINC001355316821 956633071 /nfs/dbraw/zinc/63/30/71/956633071.db2.gz SFBGVSFTCKTQFG-BXUZGUMPSA-N 1 0 306.366 0.718 20 5 DCBDRO CC(C)[N@@H+]1CCCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001355391710 956641653 /nfs/dbraw/zinc/64/16/53/956641653.db2.gz KYNOFHDDZJVJQS-UHFFFAOYSA-N 1 0 310.402 0.945 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC001301746718 960011245 /nfs/dbraw/zinc/01/12/45/960011245.db2.gz OCDYNWWVBRTUEA-UHFFFAOYSA-N 1 0 323.353 0.101 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C(N)=O)CC1 ZINC001307646440 960158197 /nfs/dbraw/zinc/15/81/97/960158197.db2.gz YQKMEUJMTPJELN-UHFFFAOYSA-N 1 0 322.321 0.540 20 5 DCBDRO O=c1cc([C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]c(=O)[nH]1 ZINC001307891445 960164818 /nfs/dbraw/zinc/16/48/18/960164818.db2.gz RYCYUEPWYQPUIL-SECBINFHSA-N 1 0 320.309 0.482 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(O)(C3CCC3)CC2)c1 ZINC001308129987 960167950 /nfs/dbraw/zinc/16/79/50/960167950.db2.gz XEBMDEAAUMWKLQ-AWEZNQCLSA-N 1 0 324.381 0.779 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC001528680930 1014381490 /nfs/dbraw/zinc/38/14/90/1014381490.db2.gz QIJOIMGIUMKTJH-HNNXBMFYSA-N 1 0 323.349 0.742 20 5 DCBDRO CC[N@H+](C)C(C)(C)C(=O)NCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001522901762 1014465013 /nfs/dbraw/zinc/46/50/13/1014465013.db2.gz PRSXIYZUBNGLOP-GHMZBOCLSA-N 1 0 314.386 0.004 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001523751767 1014756037 /nfs/dbraw/zinc/75/60/37/1014756037.db2.gz JWORPYGREIMMPV-UHFFFAOYSA-N 1 0 308.338 0.526 20 5 DCBDRO O=C(c1cccc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001471641801 1016616843 /nfs/dbraw/zinc/61/68/43/1016616843.db2.gz VYIHKINFSCUKEM-UONOGXRCSA-N 1 0 305.334 0.876 20 5 DCBDRO O=C(NC[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001471798094 1016652212 /nfs/dbraw/zinc/65/22/12/1016652212.db2.gz HZAPKCCKRXZYKP-RFQIPJPRSA-N 1 0 311.382 0.659 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC001455777562 1009963537 /nfs/dbraw/zinc/96/35/37/1009963537.db2.gz AMPSHDDBOGSCQT-UHFFFAOYSA-N 1 0 323.349 0.598 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001559261254 1012411396 /nfs/dbraw/zinc/41/13/96/1012411396.db2.gz RJVWWMIGVJGRPA-AWEZNQCLSA-N 1 0 308.338 0.197 20 5 DCBDRO CC(C)(O)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001460753631 1012964548 /nfs/dbraw/zinc/96/45/48/1012964548.db2.gz YMCDLOQMSSNWJM-AAEUAGOBSA-N 1 0 312.370 0.635 20 5 DCBDRO CC(C)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001479281157 1017471999 /nfs/dbraw/zinc/47/19/99/1017471999.db2.gz XQLUULTXNFNGIM-PHIMTYICSA-N 1 0 309.370 0.969 20 5 DCBDRO CCN(CC[NH2+]Cc1ccnc(OC)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001497390200 1018105269 /nfs/dbraw/zinc/10/52/69/1018105269.db2.gz FTYFSSWYLRJFPE-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sn1 ZINC001497585853 1018253419 /nfs/dbraw/zinc/25/34/19/1018253419.db2.gz ZRUPBCCVAQRSKW-JGLYPNHGSA-N 1 0 310.379 0.879 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000349727486 282107283 /nfs/dbraw/zinc/10/72/83/282107283.db2.gz RRJQMIPZRVYHTM-UHFFFAOYSA-N 1 0 310.354 0.701 20 5 DCBDRO CN(C1C[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000090289928 185289596 /nfs/dbraw/zinc/28/95/96/185289596.db2.gz PYBMOCFYLIGEIH-UHFFFAOYSA-N 1 0 305.743 0.841 20 5 DCBDRO Cc1nn(CCC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000186794828 282302724 /nfs/dbraw/zinc/30/27/24/282302724.db2.gz NIJDZUFLRWRNMM-SKDRFNHKSA-N 1 0 309.370 0.912 20 5 DCBDRO C[NH+](C)C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330643587 231964775 /nfs/dbraw/zinc/96/47/75/231964775.db2.gz DCZMRGDDHDCHID-UHFFFAOYSA-N 1 0 308.338 0.309 20 5 DCBDRO C[NH2+]C[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000316952258 291254338 /nfs/dbraw/zinc/25/43/38/291254338.db2.gz LPKSQHBPCOCGQK-LLVKDONJSA-N 1 0 307.354 0.494 20 5 DCBDRO O=C(C[C@@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320755768 291257329 /nfs/dbraw/zinc/25/73/29/291257329.db2.gz FATBQNCREXJMNT-LBPRGKRZSA-N 1 0 319.365 0.781 20 5 DCBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566119786 291272399 /nfs/dbraw/zinc/27/23/99/291272399.db2.gz DBEJRHMGNKZZPE-MFKMUULPSA-N 1 0 308.342 0.107 20 5 DCBDRO Cc1c(NC(=O)C(=O)NCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000415556884 239599768 /nfs/dbraw/zinc/59/97/68/239599768.db2.gz HMQDGNMORCOLCR-UHFFFAOYSA-N 1 0 306.322 0.839 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CCN2C1=O ZINC000566630134 291316168 /nfs/dbraw/zinc/31/61/68/291316168.db2.gz OOJIAYFSHLMCLA-ONGXEEELSA-N 1 0 317.349 0.311 20 5 DCBDRO NC(=O)NC(=O)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000566910845 291328527 /nfs/dbraw/zinc/32/85/27/291328527.db2.gz JQWADKNRBGTRAM-UHFFFAOYSA-N 1 0 306.282 0.146 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1CN(C2CC2)CCO1 ZINC000420606100 240048707 /nfs/dbraw/zinc/04/87/07/240048707.db2.gz WLPHSHNXKMMUHS-NSHDSACASA-N 1 0 320.349 0.969 20 5 DCBDRO [NH3+][C@@H]1CN(C(=O)c2n[nH]cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000423616132 240225142 /nfs/dbraw/zinc/22/51/42/240225142.db2.gz VTUHLYLMIJUULC-WDEREUQCSA-N 1 0 301.306 0.885 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423686858 240237236 /nfs/dbraw/zinc/23/72/36/240237236.db2.gz ZNUAOYWHRLDGMF-TVQRCGJNSA-N 1 0 316.317 0.453 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1C[NH3+] ZINC000430546690 240398543 /nfs/dbraw/zinc/39/85/43/240398543.db2.gz JSMGMTBUUWRZCU-LLVKDONJSA-N 1 0 308.338 0.965 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2ccccc2F)c1 ZINC000567262138 291345794 /nfs/dbraw/zinc/34/57/94/291345794.db2.gz CLRWCDYGHLKKJX-LBPRGKRZSA-N 1 0 324.312 0.960 20 5 DCBDRO Nc1c(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc(F)cc1[N+](=O)[O-] ZINC000449710727 240617200 /nfs/dbraw/zinc/61/72/00/240617200.db2.gz NAWUXXKXZHBRTO-VIFPVBQESA-N 1 0 312.301 0.424 20 5 DCBDRO NC(=O)c1ccnc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000567531013 291360440 /nfs/dbraw/zinc/36/04/40/291360440.db2.gz XQKPBJKVCDJLSM-VIFPVBQESA-N 1 0 305.338 0.985 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCN(CC(F)F)C2)c1 ZINC000568384387 291425004 /nfs/dbraw/zinc/42/50/04/291425004.db2.gz CSECEZXKTRMPSX-MWLCHTKSSA-N 1 0 319.312 0.081 20 5 DCBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1CC[NH2+]C1 ZINC000569104353 291461998 /nfs/dbraw/zinc/46/19/98/291461998.db2.gz GCSAFCWPADKKJT-SECBINFHSA-N 1 0 322.321 0.556 20 5 DCBDRO COc1ccc(C[NH2+]C[C@H]2CN(C)CCN2C)cc1[N+](=O)[O-] ZINC000264791318 204158823 /nfs/dbraw/zinc/15/88/23/204158823.db2.gz XDAWKPIWLACQCE-ZDUSSCGKSA-N 1 0 308.382 0.939 20 5 DCBDRO O=C(NC1C[NH2+]C1)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000571506860 291517793 /nfs/dbraw/zinc/51/77/93/291517793.db2.gz JONBNEMHDPJSDB-UHFFFAOYSA-N 1 0 318.333 0.174 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@H]2C1 ZINC000282770929 217237985 /nfs/dbraw/zinc/23/79/85/217237985.db2.gz LUGCQTQTTQTCSR-DTORHVGOSA-N 1 0 308.313 0.950 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288535039 220213466 /nfs/dbraw/zinc/21/34/66/220213466.db2.gz ONOPXIDGTATDQZ-LLVKDONJSA-N 1 0 322.365 0.754 20 5 DCBDRO CN(C)[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000573282349 291622117 /nfs/dbraw/zinc/62/21/17/291622117.db2.gz BQRLNMOQPLBMGJ-STQMWFEESA-N 1 0 323.353 0.638 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](CO)C1CC1 ZINC000574204772 291680800 /nfs/dbraw/zinc/68/08/00/291680800.db2.gz MPDVESAGKCFISI-OLZOCXBDSA-N 1 0 310.350 0.943 20 5 DCBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274108551 211364031 /nfs/dbraw/zinc/36/40/31/211364031.db2.gz VKBZEEBMXIPGSF-SCVCMEIPSA-N 1 0 314.342 0.330 20 5 DCBDRO O=C1[C@H](N2C[C@H]3C[NH2+]C[C@@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000359273945 285001894 /nfs/dbraw/zinc/00/18/94/285001894.db2.gz JWQIZNVWJVDDIL-LALPHHSUSA-N 1 0 316.361 0.851 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000339247806 253046427 /nfs/dbraw/zinc/04/64/27/253046427.db2.gz XIUWJUZORMKUOV-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000273044727 210426324 /nfs/dbraw/zinc/42/63/24/210426324.db2.gz PUCUWUSLPNNZLO-WDEREUQCSA-N 1 0 320.349 0.439 20 5 DCBDRO Cc1n[nH]c(C(=O)NCC2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000340280476 253229642 /nfs/dbraw/zinc/22/96/42/253229642.db2.gz UZTUXDXSUNSMIX-UHFFFAOYSA-N 1 0 311.342 0.060 20 5 DCBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185072 254020542 /nfs/dbraw/zinc/02/05/42/254020542.db2.gz NSULXDRDCMOBFD-QJPTWQEYSA-N 1 0 322.369 0.375 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@@H]3CO2)no1 ZINC000346801701 254097126 /nfs/dbraw/zinc/09/71/26/254097126.db2.gz YLJCGVKAPMXMLR-PSASIEDQSA-N 1 0 320.309 0.914 20 5 DCBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000347388883 254153086 /nfs/dbraw/zinc/15/30/86/254153086.db2.gz JNUAUCIJWHWGEC-CYBMUJFWSA-N 1 0 321.381 0.982 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000349740439 254295181 /nfs/dbraw/zinc/29/51/81/254295181.db2.gz ACLKGPRKGABJCX-UHFFFAOYSA-N 1 0 321.337 0.779 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351531939 254343654 /nfs/dbraw/zinc/34/36/54/254343654.db2.gz FPDQZAXKASOFCB-LLVKDONJSA-N 1 0 306.322 0.710 20 5 DCBDRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296757403 533524761 /nfs/dbraw/zinc/52/47/61/533524761.db2.gz QGBDETPCVIWTGM-VHSXEESVSA-N 1 0 309.322 0.923 20 5 DCBDRO Nc1ccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000289326276 131374244 /nfs/dbraw/zinc/37/42/44/131374244.db2.gz VCXUSLKVZNHDSV-GFCCVEGCSA-N 1 0 319.365 0.297 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209474332 395835488 /nfs/dbraw/zinc/83/54/88/395835488.db2.gz LCEJFSIEXONTTD-PWSUYJOCSA-N 1 0 311.363 0.886 20 5 DCBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000118109731 395860260 /nfs/dbraw/zinc/86/02/60/395860260.db2.gz FXWDSVXBIJBYMD-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO COCC[NH2+]CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000271162277 395843451 /nfs/dbraw/zinc/84/34/51/395843451.db2.gz SGSZDGXUZOYIDN-UHFFFAOYSA-N 1 0 311.338 0.716 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000194192167 395791010 /nfs/dbraw/zinc/79/10/10/395791010.db2.gz WVEHBTXABLLBLN-UHFFFAOYSA-N 1 0 313.358 0.335 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273484397 395924777 /nfs/dbraw/zinc/92/47/77/395924777.db2.gz NHFIAJBRIYOXJN-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO CC(C)[N@@H+](CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000053420774 395883366 /nfs/dbraw/zinc/88/33/66/395883366.db2.gz KOYWHQHOHIXXKU-LBPRGKRZSA-N 1 0 311.338 0.530 20 5 DCBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000063831099 395983312 /nfs/dbraw/zinc/98/33/12/395983312.db2.gz FIYSFFYOGBAGDB-TXEJJXNPSA-N 1 0 324.385 0.671 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](Nc2ncc(C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000276933905 396037842 /nfs/dbraw/zinc/03/78/42/396037842.db2.gz SQRFPHWEHGBTQL-LLVKDONJSA-N 1 0 324.337 0.909 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261629738 396051123 /nfs/dbraw/zinc/05/11/23/396051123.db2.gz HLJKPGGGQHIKMX-WDEREUQCSA-N 1 0 311.363 0.825 20 5 DCBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000157436948 396063232 /nfs/dbraw/zinc/06/32/32/396063232.db2.gz CNLQXQNBSCSHNE-RISCZKNCSA-N 1 0 307.350 0.973 20 5 DCBDRO Nc1c(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000262384265 396133572 /nfs/dbraw/zinc/13/35/72/396133572.db2.gz YELVCURQRRZKGZ-LLVKDONJSA-N 1 0 319.365 0.297 20 5 DCBDRO C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C[NH3+])C1 ZINC000261875965 396074885 /nfs/dbraw/zinc/07/48/85/396074885.db2.gz SUUGAHOGSXDLPZ-PWSUYJOCSA-N 1 0 308.338 0.342 20 5 DCBDRO NC(=O)c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262484722 396145925 /nfs/dbraw/zinc/14/59/25/396145925.db2.gz KHYBAQOKLYAEJG-DRZSPHRISA-N 1 0 304.350 0.863 20 5 DCBDRO CC(C)(C[NH3+])NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000262548706 396153705 /nfs/dbraw/zinc/15/37/05/396153705.db2.gz OQDFXRCMABOSOR-UHFFFAOYSA-N 1 0 322.321 0.174 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)C[NH3+] ZINC000262551721 396154030 /nfs/dbraw/zinc/15/40/30/396154030.db2.gz RYXGFWGNSYBTLH-SECBINFHSA-N 1 0 308.338 0.567 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262559409 396155685 /nfs/dbraw/zinc/15/56/85/396155685.db2.gz UZMIDWOJBAVMFX-AAEUAGOBSA-N 1 0 304.350 0.735 20 5 DCBDRO C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000074165191 396159065 /nfs/dbraw/zinc/15/90/65/396159065.db2.gz KVKXPAOICLUWJB-LLVKDONJSA-N 1 0 320.349 0.943 20 5 DCBDRO COCC[N@@H+](Cc1ccco1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075624646 396183346 /nfs/dbraw/zinc/18/33/46/396183346.db2.gz MBJUUFZOVALQQX-CYBMUJFWSA-N 1 0 324.337 0.894 20 5 DCBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCN(C)CC1 ZINC000076267750 396199776 /nfs/dbraw/zinc/19/97/76/396199776.db2.gz LDWDQEULRTYUCT-LLVKDONJSA-N 1 0 323.401 0.651 20 5 DCBDRO CCOC(=O)C[C@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000182653516 396252630 /nfs/dbraw/zinc/25/26/30/396252630.db2.gz CEHMNFUVSGWBCT-JQWIXIFHSA-N 1 0 314.342 0.426 20 5 DCBDRO C[N@@H+]1CC[C@H](CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000264182354 396260513 /nfs/dbraw/zinc/26/05/13/396260513.db2.gz ZGLFPVSILVTQTI-SECBINFHSA-N 1 0 314.367 0.606 20 5 DCBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000264425619 396278756 /nfs/dbraw/zinc/27/87/56/396278756.db2.gz AFSPSIWKTGDOMQ-NSHDSACASA-N 1 0 308.338 0.215 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264639799 396298980 /nfs/dbraw/zinc/29/89/80/396298980.db2.gz FCYLWWPKLHXJRK-ZDUSSCGKSA-N 1 0 322.365 0.336 20 5 DCBDRO CC[N@H+](C)C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O ZINC000516315661 396513230 /nfs/dbraw/zinc/51/32/30/396513230.db2.gz QTZSXBJJMZMDQQ-QMMMGPOBSA-N 1 0 312.351 0.679 20 5 DCBDRO Cc1noc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000595304797 396583975 /nfs/dbraw/zinc/58/39/75/396583975.db2.gz CNGRXNSKVBMPGZ-RYUDHWBXSA-N 1 0 310.354 0.922 20 5 DCBDRO C[C@@H](O)[C@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000581245983 396536873 /nfs/dbraw/zinc/53/68/73/396536873.db2.gz COEFEOPJUDULLG-VHSXEESVSA-N 1 0 317.367 0.232 20 5 DCBDRO CCc1nn(C)c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000373177953 396572270 /nfs/dbraw/zinc/57/22/70/396572270.db2.gz RNPCSMMWTBIKQE-OLZOCXBDSA-N 1 0 323.397 0.926 20 5 DCBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293957062 396644383 /nfs/dbraw/zinc/64/43/83/396644383.db2.gz SRAIAONPHFRIFD-AWEZNQCLSA-N 1 0 306.322 0.863 20 5 DCBDRO O=C1C[C@@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1 ZINC000595374760 396597426 /nfs/dbraw/zinc/59/74/26/396597426.db2.gz JILBDJAIJXQRBO-MNOVXSKESA-N 1 0 305.338 0.612 20 5 DCBDRO O=C1COc2ccc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)cc2N1 ZINC000293495677 396613341 /nfs/dbraw/zinc/61/33/41/396613341.db2.gz BCPHLTIRVOQJLM-UHFFFAOYSA-N 1 0 317.305 0.912 20 5 DCBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595827280 396668281 /nfs/dbraw/zinc/66/82/81/396668281.db2.gz BHHMUTKCKJVFLV-GFCCVEGCSA-N 1 0 307.354 0.736 20 5 DCBDRO Cc1ccc(NCCCNC(=O)C2(O)C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000595939017 396687872 /nfs/dbraw/zinc/68/78/72/396687872.db2.gz SQVATMPLTGRJFL-UHFFFAOYSA-N 1 0 308.338 0.156 20 5 DCBDRO C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO[C@H]1C1CC1 ZINC000563011738 396693101 /nfs/dbraw/zinc/69/31/01/396693101.db2.gz OTHBVJTXEKJEIM-QLFBSQMISA-N 1 0 324.381 0.947 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000588869323 396696805 /nfs/dbraw/zinc/69/68/05/396696805.db2.gz MPIJZQLCHJLHGN-ZDUSSCGKSA-N 1 0 307.350 0.710 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)C[NH2+]C ZINC000595983005 396702855 /nfs/dbraw/zinc/70/28/55/396702855.db2.gz MKFNFUXJDLYTJW-PSASIEDQSA-N 1 0 312.374 0.551 20 5 DCBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000563160439 396710309 /nfs/dbraw/zinc/71/03/09/396710309.db2.gz MWPKSXYFELXLNF-ISTVAULSSA-N 1 0 308.338 0.259 20 5 DCBDRO C[N@@H+]1CCCN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)CC1 ZINC000596055719 396712675 /nfs/dbraw/zinc/71/26/75/396712675.db2.gz LPROQDGLYVTBDQ-UHFFFAOYSA-N 1 0 314.367 0.384 20 5 DCBDRO CN1CC[NH+](CCC(C)(C)Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000302244335 396718888 /nfs/dbraw/zinc/71/88/88/396718888.db2.gz KCFUYZLPXPECAS-UHFFFAOYSA-N 1 0 323.401 0.795 20 5 DCBDRO O=C([C@@H]1CSCN1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315778001 396791494 /nfs/dbraw/zinc/79/14/94/396791494.db2.gz SGPJMPDMLSGRCT-NSHDSACASA-N 1 0 323.378 0.301 20 5 DCBDRO COC(=O)c1cc(C)nc(N[C@@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000596244985 396742337 /nfs/dbraw/zinc/74/23/37/396742337.db2.gz UCJSLFVRITXIEB-SECBINFHSA-N 1 0 312.326 0.419 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000316674402 396796565 /nfs/dbraw/zinc/79/65/65/396796565.db2.gz VZNOIIHFSVNNHD-GXFFZTMASA-N 1 0 308.338 0.581 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H]1CCCC[C@@H]1O ZINC000305804329 396751898 /nfs/dbraw/zinc/75/18/98/396751898.db2.gz JAJLLMJNZXAFGO-XBFCOCLRSA-N 1 0 312.370 0.635 20 5 DCBDRO CNC(=O)C[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564444340 396835336 /nfs/dbraw/zinc/83/53/36/396835336.db2.gz RNDBLMROEFRUCH-GHMZBOCLSA-N 1 0 311.338 0.449 20 5 DCBDRO C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000611559066 396886424 /nfs/dbraw/zinc/88/64/24/396886424.db2.gz CDKQJGIKGHRHKD-TVQRCGJNSA-N 1 0 309.322 0.749 20 5 DCBDRO O=C(COc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC[C@@H](O)C1 ZINC000600543707 396886881 /nfs/dbraw/zinc/88/68/81/396886881.db2.gz CGYVOBSERABXSY-LLVKDONJSA-N 1 0 309.322 0.156 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000591353240 396905828 /nfs/dbraw/zinc/90/58/28/396905828.db2.gz CTJTVLYNNURNCR-SMDDNHRTSA-N 1 0 322.365 0.895 20 5 DCBDRO CNc1c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600809190 396947433 /nfs/dbraw/zinc/94/74/33/396947433.db2.gz VUOSAURNMJUQAT-JTQLQIEISA-N 1 0 308.338 0.433 20 5 DCBDRO CC[C@@H](CN1CCCC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591742831 396995524 /nfs/dbraw/zinc/99/55/24/396995524.db2.gz JDIXYZMOKJCMBU-JSGCOSHPSA-N 1 0 311.386 0.616 20 5 DCBDRO O=C1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])N1 ZINC000591763689 396999204 /nfs/dbraw/zinc/99/92/04/396999204.db2.gz BNHQNIABXZFHGU-VXGBXAGGSA-N 1 0 323.349 0.593 20 5 DCBDRO Cc1c(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572016421 397013081 /nfs/dbraw/zinc/01/30/81/397013081.db2.gz VDVVJHJHOQIMCI-CHWSQXEVSA-N 1 0 304.350 0.647 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H]2CCOC2)cc1 ZINC000612610453 397103290 /nfs/dbraw/zinc/10/32/90/397103290.db2.gz HVQFOWNSIIHVKT-NSHDSACASA-N 1 0 314.363 0.995 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198314 397123678 /nfs/dbraw/zinc/12/36/78/397123678.db2.gz NMSOAYAYHGYWLJ-TZMCWYRMSA-N 1 0 308.334 0.993 20 5 DCBDRO COc1ccc(CC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592308469 397148979 /nfs/dbraw/zinc/14/89/79/397148979.db2.gz MYDWGLSWVOIGCL-YGRLFVJLSA-N 1 0 323.349 0.721 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000592312290 397151115 /nfs/dbraw/zinc/15/11/15/397151115.db2.gz QRHUHJNYAQNTFO-RISCZKNCSA-N 1 0 322.365 0.971 20 5 DCBDRO CC[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592382037 397163700 /nfs/dbraw/zinc/16/37/00/397163700.db2.gz GHNYSVLCFHILLL-NXEZZACHSA-N 1 0 314.367 0.738 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601557286 397175747 /nfs/dbraw/zinc/17/57/47/397175747.db2.gz NLWPQRIDYVFORL-AAEUAGOBSA-N 1 0 307.354 0.782 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592474888 397185360 /nfs/dbraw/zinc/18/53/60/397185360.db2.gz JLTKYXFXBIHALP-RISCZKNCSA-N 1 0 322.365 0.890 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475101 397185524 /nfs/dbraw/zinc/18/55/24/397185524.db2.gz NXHRWVDKQPELNG-COPLHBTASA-N 1 0 322.365 0.970 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592474860 397185593 /nfs/dbraw/zinc/18/55/93/397185593.db2.gz GXLUFASXZIAENB-RISCZKNCSA-N 1 0 322.365 0.890 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592474859 397185893 /nfs/dbraw/zinc/18/58/93/397185893.db2.gz GXLUFASXZIAENB-FZMZJTMJSA-N 1 0 322.365 0.890 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000592477459 397187289 /nfs/dbraw/zinc/18/72/89/397187289.db2.gz WUELRSCUGUGESU-SMDDNHRTSA-N 1 0 323.349 0.938 20 5 DCBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000619787685 397192694 /nfs/dbraw/zinc/19/26/94/397192694.db2.gz YWKGSEQQRDZNBA-JTQLQIEISA-N 1 0 322.369 0.216 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000592551604 397209959 /nfs/dbraw/zinc/20/99/59/397209959.db2.gz WYTMFEIYUTYWNZ-CYBMUJFWSA-N 1 0 321.333 0.880 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666325 397271232 /nfs/dbraw/zinc/27/12/32/397271232.db2.gz XEVDCIJJKRANSU-VIFPVBQESA-N 1 0 309.326 0.570 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598668197 397272423 /nfs/dbraw/zinc/27/24/23/397272423.db2.gz MPBHAOVMVLJQDT-VHSXEESVSA-N 1 0 323.353 0.958 20 5 DCBDRO [NH3+]CC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000383551252 397278176 /nfs/dbraw/zinc/27/81/76/397278176.db2.gz OQTMRMMZWDWGQZ-ZETCQYMHSA-N 1 0 309.294 0.856 20 5 DCBDRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)F ZINC000383551251 397278868 /nfs/dbraw/zinc/27/88/68/397278868.db2.gz OQTMRMMZWDWGQZ-SSDOTTSWSA-N 1 0 309.294 0.856 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000574812907 397303158 /nfs/dbraw/zinc/30/31/58/397303158.db2.gz LMBVFPIYUDASBH-UWVGGRQHSA-N 1 0 322.365 0.761 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000598914070 397306597 /nfs/dbraw/zinc/30/65/97/397306597.db2.gz WXADSERHKDVAGO-LBPRGKRZSA-N 1 0 322.321 0.110 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598914474 397307965 /nfs/dbraw/zinc/30/79/65/397307965.db2.gz FOVXDYWXNFPGFA-ZJUUUORDSA-N 1 0 306.322 0.729 20 5 DCBDRO CCN(CC[NH3+])S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000599099438 397335868 /nfs/dbraw/zinc/33/58/68/397335868.db2.gz WHAWVTSWONUWEO-UHFFFAOYSA-N 1 0 301.368 0.748 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000578132189 397395198 /nfs/dbraw/zinc/39/51/98/397395198.db2.gz QVFBYJCCWAZCHI-VHSXEESVSA-N 1 0 312.351 0.362 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000602438437 397401159 /nfs/dbraw/zinc/40/11/59/397401159.db2.gz QMNOVLLNLADHDL-UHFFFAOYSA-N 1 0 307.354 0.028 20 5 DCBDRO CO[C@@]1(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCOC1 ZINC000602689677 397463661 /nfs/dbraw/zinc/46/36/61/397463661.db2.gz XFRCNLYHTUGGMZ-OAHLLOKOSA-N 1 0 322.365 0.917 20 5 DCBDRO C[NH+](C)CC[C@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000593904311 397473302 /nfs/dbraw/zinc/47/33/02/397473302.db2.gz UVKUXOFGHJXORG-ZDUSSCGKSA-N 1 0 310.354 0.369 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000602819404 397495069 /nfs/dbraw/zinc/49/50/69/397495069.db2.gz AXHLQUDGMXMZJA-GFCCVEGCSA-N 1 0 311.386 0.752 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1COCC[NH2+]1 ZINC000599920426 397540853 /nfs/dbraw/zinc/54/08/53/397540853.db2.gz JUCSXZQAUOAIDG-GFCCVEGCSA-N 1 0 308.338 0.425 20 5 DCBDRO Cn1c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938620 397545976 /nfs/dbraw/zinc/54/59/76/397545976.db2.gz QXIWQUQSVFRUEE-MNOVXSKESA-N 1 0 308.338 0.214 20 5 DCBDRO Cc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000579972671 397601674 /nfs/dbraw/zinc/60/16/74/397601674.db2.gz FTLDTMASHCWBCK-VXGBXAGGSA-N 1 0 318.333 0.287 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCn2cncn2)c1 ZINC000603632991 397618389 /nfs/dbraw/zinc/61/83/89/397618389.db2.gz YAQPNFIAYIYVDD-ZDUSSCGKSA-N 1 0 321.337 0.606 20 5 DCBDRO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](C)CC1 ZINC000609583493 397783678 /nfs/dbraw/zinc/78/36/78/397783678.db2.gz LVKWBXXPSLNWOM-LLVKDONJSA-N 1 0 322.365 0.603 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000131866918 158305813 /nfs/dbraw/zinc/30/58/13/158305813.db2.gz AELCUEGTBMTPLJ-SECBINFHSA-N 1 0 315.351 0.491 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000131867145 158305976 /nfs/dbraw/zinc/30/59/76/158305976.db2.gz AELCUEGTBMTPLJ-VIFPVBQESA-N 1 0 315.351 0.491 20 5 DCBDRO CC(C)C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000186593540 158532786 /nfs/dbraw/zinc/53/27/86/158532786.db2.gz VOCVQSPNVNUQNV-UHFFFAOYSA-N 1 0 307.354 0.986 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000261895226 158751336 /nfs/dbraw/zinc/75/13/36/158751336.db2.gz OFQWNUYBQWCGNG-AWEZNQCLSA-N 1 0 322.365 0.653 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000316982160 159003724 /nfs/dbraw/zinc/00/37/24/159003724.db2.gz DCBZOQVEZFNNTD-SUHUHFCYSA-N 1 0 305.334 0.896 20 5 DCBDRO COc1c(C(=O)NC[C@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000318454972 159006392 /nfs/dbraw/zinc/00/63/92/159006392.db2.gz GWOKVHWSFPZAMB-AWEZNQCLSA-N 1 0 311.338 0.646 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCOCC[NH+](C)C)n1 ZINC000318998446 159007350 /nfs/dbraw/zinc/00/73/50/159007350.db2.gz OUQAYXMBBFCMOJ-UHFFFAOYSA-N 1 0 312.326 0.767 20 5 DCBDRO NC(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654738 159010712 /nfs/dbraw/zinc/01/07/12/159010712.db2.gz QDNRZFJAOSIGFM-NWDGAFQWSA-N 1 0 320.349 0.969 20 5 DCBDRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000359281754 159261444 /nfs/dbraw/zinc/26/14/44/159261444.db2.gz IMUIFYLIGITLIE-BETUJISGSA-N 1 0 316.361 0.635 20 5 DCBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908556 159364078 /nfs/dbraw/zinc/36/40/78/159364078.db2.gz VWACOKJURKVNQG-WDEREUQCSA-N 1 0 321.337 0.396 20 5 DCBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362015499 287217241 /nfs/dbraw/zinc/21/72/41/287217241.db2.gz OHAXVGMUFVXXFS-JSGCOSHPSA-N 1 0 323.349 0.977 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000332148553 415269642 /nfs/dbraw/zinc/26/96/42/415269642.db2.gz OFKDJMAVZZLSAN-LLVKDONJSA-N 1 0 322.369 0.170 20 5 DCBDRO COC[C@H]1CCCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000342741277 415276386 /nfs/dbraw/zinc/27/63/86/415276386.db2.gz NABYZXZTGSMLSP-GXTWGEPZSA-N 1 0 312.370 0.901 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@@H]1CC[NH2+]C1 ZINC000342752188 415280372 /nfs/dbraw/zinc/28/03/72/415280372.db2.gz GWDCSQFBNYEEGL-SNVBAGLBSA-N 1 0 321.333 0.634 20 5 DCBDRO [NH3+]C1(CNC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000342593894 415221361 /nfs/dbraw/zinc/22/13/61/415221361.db2.gz QWGQDWOPEHYQEB-UHFFFAOYSA-N 1 0 320.349 0.712 20 5 DCBDRO COc1cc(OCC(=O)NC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000273052942 415303904 /nfs/dbraw/zinc/30/39/04/415303904.db2.gz RFYPPIFSFIWFBI-SNVBAGLBSA-N 1 0 309.322 0.708 20 5 DCBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000332231131 415308264 /nfs/dbraw/zinc/30/82/64/415308264.db2.gz MNGJACBIEZGEPI-GHMZBOCLSA-N 1 0 308.342 0.272 20 5 DCBDRO CN1CCO[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000332291242 415334260 /nfs/dbraw/zinc/33/42/60/415334260.db2.gz JMGUUYSJIVSABL-CABCVRRESA-N 1 0 307.350 0.988 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353221109 415479639 /nfs/dbraw/zinc/47/96/39/415479639.db2.gz WVRZMKJFLOXWRJ-IUCAKERBSA-N 1 0 317.371 0.217 20 5 DCBDRO CC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000343383242 415582157 /nfs/dbraw/zinc/58/21/57/415582157.db2.gz HQZINXBREVMBCV-UONOGXRCSA-N 1 0 312.370 0.947 20 5 DCBDRO C[C@@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[N@@H+]1C ZINC000343433709 415598369 /nfs/dbraw/zinc/59/83/69/415598369.db2.gz GSXWOAWNPUGBIT-PWSUYJOCSA-N 1 0 308.338 0.355 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124591406 415851866 /nfs/dbraw/zinc/85/18/66/415851866.db2.gz RSNZIOJEOADCJE-LLVKDONJSA-N 1 0 322.369 0.747 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000356738566 415980111 /nfs/dbraw/zinc/98/01/11/415980111.db2.gz MUINSLXKRCTYFC-NSHDSACASA-N 1 0 323.353 0.123 20 5 DCBDRO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[N@H+](C)C1 ZINC000153932648 415989679 /nfs/dbraw/zinc/98/96/79/415989679.db2.gz FFUSYONSQCKECC-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO CO[C@@H]1C[C@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)[N@H+](C)C1 ZINC000344510018 415934904 /nfs/dbraw/zinc/93/49/04/415934904.db2.gz KNIXUPFPQWYYMX-NXEZZACHSA-N 1 0 311.342 0.119 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000312644029 416106095 /nfs/dbraw/zinc/10/60/95/416106095.db2.gz DNIZXZJWUDCMGA-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000340593280 416191490 /nfs/dbraw/zinc/19/14/90/416191490.db2.gz IQSNRQDMAIRNJA-UHFFFAOYSA-N 1 0 321.381 0.777 20 5 DCBDRO CN(C(=O)CN1CCO[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000358119155 416195346 /nfs/dbraw/zinc/19/53/46/416195346.db2.gz JBAANQMUSZCYIL-ZDUSSCGKSA-N 1 0 308.338 0.217 20 5 DCBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH3+])C1 ZINC000358129027 416198614 /nfs/dbraw/zinc/19/86/14/416198614.db2.gz UIJOBBFAEHJHQU-QWRGUYRKSA-N 1 0 308.338 0.581 20 5 DCBDRO [NH3+]C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CCO1 ZINC000358132552 416199782 /nfs/dbraw/zinc/19/97/82/416199782.db2.gz DEBLFGQTMCCDHA-LBPRGKRZSA-N 1 0 319.321 0.804 20 5 DCBDRO O=[N+]([O-])c1cnc2ccc(NCC[NH+]3CCSCC3)nn21 ZINC000347863325 416225664 /nfs/dbraw/zinc/22/56/64/416225664.db2.gz CDRGRGKXWHJVOR-UHFFFAOYSA-N 1 0 308.367 1.098 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000331447431 416314042 /nfs/dbraw/zinc/31/40/42/416314042.db2.gz OHDDLWNKIQDSSO-GFCCVEGCSA-N 1 0 322.369 0.521 20 5 DCBDRO CO[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000359246702 416315659 /nfs/dbraw/zinc/31/56/59/416315659.db2.gz SXVVYFBCHIEKFN-ZYHUDNBSSA-N 1 0 311.342 0.146 20 5 DCBDRO COCC[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000415500885 416345843 /nfs/dbraw/zinc/34/58/43/416345843.db2.gz LVTJTNNVIINWQK-UHFFFAOYSA-N 1 0 312.326 0.961 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415815833 416355345 /nfs/dbraw/zinc/35/53/45/416355345.db2.gz LUEIXDRPQMEKGB-SKDRFNHKSA-N 1 0 304.306 0.354 20 5 DCBDRO [NH3+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000237992965 416329567 /nfs/dbraw/zinc/32/95/67/416329567.db2.gz CTADTEYAUOXODH-UHFFFAOYSA-N 1 0 313.257 0.851 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@H]3C[NH2+]CCCO3)n2)cc1 ZINC000420263649 416417731 /nfs/dbraw/zinc/41/77/31/416417731.db2.gz CIWHARVYJBLRFG-GFCCVEGCSA-N 1 0 319.321 1.435 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])cccc1[N+](=O)[O-] ZINC000419760965 416409523 /nfs/dbraw/zinc/40/95/23/416409523.db2.gz OWNZGNLFNZVONI-VIFPVBQESA-N 1 0 308.338 0.373 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000419765320 416409750 /nfs/dbraw/zinc/40/97/50/416409750.db2.gz WYONGWXWVBNTNN-VIFPVBQESA-N 1 0 308.338 0.230 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000361081250 416420320 /nfs/dbraw/zinc/42/03/20/416420320.db2.gz QMKUSKOCIAHIPD-MNOVXSKESA-N 1 0 307.354 0.755 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(Nc2cccnn2)CC1 ZINC000361942662 416527054 /nfs/dbraw/zinc/52/70/54/416527054.db2.gz HHGWHJGOXSVICI-UHFFFAOYSA-N 1 0 317.353 1.195 20 5 DCBDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000540975202 416601004 /nfs/dbraw/zinc/60/10/04/416601004.db2.gz CXZWKUKBSDSHAX-SNVBAGLBSA-N 1 0 314.367 0.562 20 5 DCBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000598341891 416602384 /nfs/dbraw/zinc/60/23/84/416602384.db2.gz HVAHZFMLYMUGRS-SNVBAGLBSA-N 1 0 307.354 1.246 20 5 DCBDRO CNc1nccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000598572938 416604691 /nfs/dbraw/zinc/60/46/91/416604691.db2.gz NHPXNGNCTHXSHB-LLVKDONJSA-N 1 0 307.354 1.102 20 5 DCBDRO CC(C)Oc1nc(NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000599175637 416610346 /nfs/dbraw/zinc/61/03/46/416610346.db2.gz FTVWVRMGFOUWTP-LLVKDONJSA-N 1 0 310.354 1.256 20 5 DCBDRO C[C@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000423894106 416583887 /nfs/dbraw/zinc/58/38/87/416583887.db2.gz DLSSOPPUKWYXJR-NEPJUHHUSA-N 1 0 309.370 0.933 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000547730193 416681011 /nfs/dbraw/zinc/68/10/11/416681011.db2.gz MUMUKQYJSPYMBF-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545312820 416673264 /nfs/dbraw/zinc/67/32/64/416673264.db2.gz GGONFFSIPDPKLZ-LBPRGKRZSA-N 1 0 323.397 0.689 20 5 DCBDRO Nc1nccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000548738468 416691403 /nfs/dbraw/zinc/69/14/03/416691403.db2.gz SMKQUFZFPHKLIS-GHMZBOCLSA-N 1 0 305.338 0.929 20 5 DCBDRO CNc1nccc(C(=O)N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000553142150 416702493 /nfs/dbraw/zinc/70/24/93/416702493.db2.gz PUDNPRFXTASKHA-UHFFFAOYSA-N 1 0 321.381 1.445 20 5 DCBDRO C[NH+]1CCC(C)(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000563389736 416879729 /nfs/dbraw/zinc/87/97/29/416879729.db2.gz IGKDOGUHQZBMCR-UHFFFAOYSA-N 1 0 307.354 1.034 20 5 DCBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000518230038 416846848 /nfs/dbraw/zinc/84/68/48/416846848.db2.gz PBNIPZZDZCDBGB-OAHLLOKOSA-N 1 0 305.334 0.781 20 5 DCBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])n2C)CC[N@@H+]1CC(C)(C)O ZINC000444545748 416847739 /nfs/dbraw/zinc/84/77/39/416847739.db2.gz LKKJSPKFHFVMQF-LLVKDONJSA-N 1 0 324.381 0.851 20 5 DCBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000561172121 416857515 /nfs/dbraw/zinc/85/75/15/416857515.db2.gz KBQSARSLPSOZDW-SNVBAGLBSA-N 1 0 307.354 1.103 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCN(C3CCCC3)C2)c1 ZINC000520396788 416959863 /nfs/dbraw/zinc/95/98/63/416959863.db2.gz LYHKYILAXJRTMN-WFASDCNBSA-N 1 0 323.397 0.759 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000428484300 416900340 /nfs/dbraw/zinc/90/03/40/416900340.db2.gz LTPAQEZRQBRCEY-SNVBAGLBSA-N 1 0 302.294 0.349 20 5 DCBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000565176551 416933601 /nfs/dbraw/zinc/93/36/01/416933601.db2.gz FXUXDNGIPDGNMC-JTQLQIEISA-N 1 0 307.354 1.032 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000565181862 416937858 /nfs/dbraw/zinc/93/78/58/416937858.db2.gz NXZWGRNNLOTLEV-NEPJUHHUSA-N 1 0 319.365 1.388 20 5 DCBDRO CCC[N@@H+](CC(N)=O)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429129159 416946577 /nfs/dbraw/zinc/94/65/77/416946577.db2.gz QZEPPBMHLRNGCH-GFCCVEGCSA-N 1 0 311.338 0.532 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[S@@](=O)C1 ZINC000521863244 417028961 /nfs/dbraw/zinc/02/89/61/417028961.db2.gz VHDLRKIADWFPHQ-WIFINTHYSA-N 1 0 314.363 0.445 20 5 DCBDRO COc1cc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000447240713 416972760 /nfs/dbraw/zinc/97/27/60/416972760.db2.gz SKYMHNWTNKVQFO-WPRPVWTQSA-N 1 0 315.351 0.571 20 5 DCBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429789341 416997392 /nfs/dbraw/zinc/99/73/92/416997392.db2.gz RTZLECUVCTTZMV-VXGBXAGGSA-N 1 0 320.349 0.698 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]([NH3+])C1 ZINC000430615641 417052021 /nfs/dbraw/zinc/05/20/21/417052021.db2.gz CUDHNHSPHUBMFB-JTQLQIEISA-N 1 0 308.338 0.965 20 5 DCBDRO CN(CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000449741783 417168783 /nfs/dbraw/zinc/16/87/83/417168783.db2.gz MAOGJJQYJUODTR-RISCZKNCSA-N 1 0 304.350 0.851 20 5 DCBDRO CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000449695853 417164728 /nfs/dbraw/zinc/16/47/28/417164728.db2.gz JCXJMIUZODCJED-LBPRGKRZSA-N 1 0 322.365 0.627 20 5 DCBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000449701312 417167518 /nfs/dbraw/zinc/16/75/18/417167518.db2.gz BTXUZAPDFLVLRW-GFCCVEGCSA-N 1 0 322.365 0.892 20 5 DCBDRO CC(C)n1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000569596139 417272719 /nfs/dbraw/zinc/27/27/19/417272719.db2.gz WIUCGYBXSJQBJA-ZDUSSCGKSA-N 1 0 308.342 0.719 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000415306900 417363833 /nfs/dbraw/zinc/36/38/33/417363833.db2.gz JBNQSFDSHJFPNH-UHFFFAOYSA-N 1 0 306.322 0.664 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)CN1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451100072 417298063 /nfs/dbraw/zinc/29/80/63/417298063.db2.gz PTQLDPXLARIDFR-SWLSCSKDSA-N 1 0 309.366 0.939 20 5 DCBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000452349591 417471220 /nfs/dbraw/zinc/47/12/20/417471220.db2.gz NBUDHVXSNSBFTN-JTQLQIEISA-N 1 0 324.337 0.272 20 5 DCBDRO CNc1nc(C(=O)NCC[N@H+](C)CCOC)ccc1[N+](=O)[O-] ZINC000455366459 417601092 /nfs/dbraw/zinc/60/10/92/417601092.db2.gz NRICJYOPFVYLBR-UHFFFAOYSA-N 1 0 311.342 0.340 20 5 DCBDRO CNc1nc(C(=O)NCCOCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455992229 417621537 /nfs/dbraw/zinc/62/15/37/417621537.db2.gz JQFYLIQOQHBEBM-UHFFFAOYSA-N 1 0 311.342 0.340 20 5 DCBDRO COC(=O)CNC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102212 287455702 /nfs/dbraw/zinc/45/57/02/287455702.db2.gz BPAIZUAJFWQRDX-JTQLQIEISA-N 1 0 309.322 0.925 20 5 DCBDRO [NH3+]CCN(Cc1ccccc1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000184195551 261117604 /nfs/dbraw/zinc/11/76/04/261117604.db2.gz YSECTVIZUCYNSQ-UHFFFAOYSA-N 1 0 303.322 0.779 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363391782 262113824 /nfs/dbraw/zinc/11/38/24/262113824.db2.gz YZCZBMKBMMQNEX-LLVKDONJSA-N 1 0 307.354 0.924 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000394770871 262162944 /nfs/dbraw/zinc/16/29/44/262162944.db2.gz LTLOQRNKODTDJP-NSHDSACASA-N 1 0 301.350 0.880 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000418776744 262289086 /nfs/dbraw/zinc/28/90/86/262289086.db2.gz GPVQDJMTDDFGBO-CMPLNLGQSA-N 1 0 320.349 0.592 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418777143 262289298 /nfs/dbraw/zinc/28/92/98/262289298.db2.gz HCLJKCXVCCOQGH-LLVKDONJSA-N 1 0 322.365 0.840 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420256841 262367690 /nfs/dbraw/zinc/36/76/90/262367690.db2.gz JOSSAGOOPIQHEB-KOLCDFICSA-N 1 0 306.322 0.822 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCO[C@@H](C[NH3+])C1 ZINC000420398840 262373541 /nfs/dbraw/zinc/37/35/41/262373541.db2.gz ZEALVRIBPMSGQN-ZDUSSCGKSA-N 1 0 322.365 0.891 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000424006685 262476953 /nfs/dbraw/zinc/47/69/53/262476953.db2.gz UPQBOKXYSGJTBP-CYBMUJFWSA-N 1 0 315.333 0.964 20 5 DCBDRO CO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@@H](C[NH3+])C1 ZINC000359230028 271107798 /nfs/dbraw/zinc/10/77/98/271107798.db2.gz OYUIAHORMAPQKR-ZJUUUORDSA-N 1 0 308.338 0.755 20 5 DCBDRO C[NH+](C)CCn1nccc1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000359499996 271121729 /nfs/dbraw/zinc/12/17/29/271121729.db2.gz NSYARZFNCHNLOI-UHFFFAOYSA-N 1 0 319.325 0.582 20 5 DCBDRO CNc1c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000360926644 271165530 /nfs/dbraw/zinc/16/55/30/271165530.db2.gz WYPMHYVHMWPAHS-AWEZNQCLSA-N 1 0 308.338 0.433 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000418875472 271260796 /nfs/dbraw/zinc/26/07/96/271260796.db2.gz WUWVALYWKDMQIG-GXFFZTMASA-N 1 0 320.349 0.059 20 5 DCBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000420043248 271354606 /nfs/dbraw/zinc/35/46/06/271354606.db2.gz OOFFDRVCKHYTFA-CYBMUJFWSA-N 1 0 312.326 0.128 20 5 DCBDRO CN1CCN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000493689097 272204759 /nfs/dbraw/zinc/20/47/59/272204759.db2.gz QQEZWARWMQNXRG-HSBHDXMMSA-N 1 0 322.340 0.848 20 5 DCBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000493713737 272205726 /nfs/dbraw/zinc/20/57/26/272205726.db2.gz YMHACQITJQOPNC-BUHQSOCUSA-N 1 0 303.318 0.807 20 5 DCBDRO C[C@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000494780739 272231375 /nfs/dbraw/zinc/23/13/75/272231375.db2.gz CRSSGTPVBJFYRI-QWRGUYRKSA-N 1 0 321.337 0.814 20 5 DCBDRO COC(C)(C)C[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000519764309 287681745 /nfs/dbraw/zinc/68/17/45/287681745.db2.gz WEQSNRPITBFYJL-PWSUYJOCSA-N 1 0 300.359 0.945 20 5 DCBDRO CNC(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000171681860 277258422 /nfs/dbraw/zinc/25/84/22/277258422.db2.gz SHJCBIPVNHWVBZ-UHFFFAOYSA-N 1 0 322.365 0.459 20 5 DCBDRO COC[C@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262338510 277594526 /nfs/dbraw/zinc/59/45/26/277594526.db2.gz UCOPBPLGJYWKRG-NSHDSACASA-N 1 0 308.338 0.217 20 5 DCBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])s1 ZINC000552026963 288260672 /nfs/dbraw/zinc/26/06/72/288260672.db2.gz NRJMPYLHEKXSHV-CYBMUJFWSA-N 1 0 311.363 0.843 20 5 DCBDRO C[C@H](C[S@](C)=O)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563530181 288683080 /nfs/dbraw/zinc/68/30/80/288683080.db2.gz CUOTYRUWSNHSLF-BJFPOWJFSA-N 1 0 316.379 0.691 20 5 DCBDRO Cn1cc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000563647182 288695413 /nfs/dbraw/zinc/69/54/13/288695413.db2.gz AKFCVZBIXQEYAU-LBPRGKRZSA-N 1 0 306.322 0.858 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000349993376 289475859 /nfs/dbraw/zinc/47/58/59/289475859.db2.gz QXBPSSKYILWGHC-SECBINFHSA-N 1 0 309.322 0.762 20 5 DCBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000575121870 332618486 /nfs/dbraw/zinc/61/84/86/332618486.db2.gz KRYYIXKVARQGOF-UHFFFAOYSA-N 1 0 317.309 0.375 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000582432000 336975213 /nfs/dbraw/zinc/97/52/13/336975213.db2.gz YOGJJNBUTRTLJS-WPRPVWTQSA-N 1 0 310.741 0.996 20 5 DCBDRO [NH3+]CC(=O)NCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000582604462 337112604 /nfs/dbraw/zinc/11/26/04/337112604.db2.gz GQYLICXSNBEOME-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000582904302 337213587 /nfs/dbraw/zinc/21/35/87/337213587.db2.gz LJCBZNAZWXEWRV-WDEREUQCSA-N 1 0 307.354 0.929 20 5 DCBDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000583083040 337237398 /nfs/dbraw/zinc/23/73/98/337237398.db2.gz IKWSXQGAGBPYDL-ZYHUDNBSSA-N 1 0 307.354 0.953 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000583258302 337292239 /nfs/dbraw/zinc/29/22/39/337292239.db2.gz RVIXGBRUJICYIG-NWDGAFQWSA-N 1 0 316.321 0.058 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000583278933 337302532 /nfs/dbraw/zinc/30/25/32/337302532.db2.gz ZIHZPRQYMHFGPC-MRXNPFEDSA-N 1 0 319.361 0.710 20 5 DCBDRO O=C(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000577172334 341893600 /nfs/dbraw/zinc/89/36/00/341893600.db2.gz PUPFKMBAGRDXIY-GFCCVEGCSA-N 1 0 323.349 0.547 20 5 DCBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298958297 517654849 /nfs/dbraw/zinc/65/48/49/517654849.db2.gz BJIGGRPITIZJPQ-GFCCVEGCSA-N 1 0 323.397 0.926 20 5 DCBDRO CC(C)(C(=O)N1CC[C@]2(CC[NH2+]C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000158171945 518518169 /nfs/dbraw/zinc/51/81/69/518518169.db2.gz ZBUPDAOWAQZHJE-AWEZNQCLSA-N 1 0 307.354 0.738 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000269914519 521855183 /nfs/dbraw/zinc/85/51/83/521855183.db2.gz QBEZIJMEHPOERM-HNNXBMFYSA-N 1 0 324.381 0.749 20 5 DCBDRO C[NH+](C)C1CN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000134948522 524041610 /nfs/dbraw/zinc/04/16/10/524041610.db2.gz OCSVIYCXACMZAI-UHFFFAOYSA-N 1 0 316.321 0.562 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000157375140 526087947 /nfs/dbraw/zinc/08/79/47/526087947.db2.gz JCRRTFKLVPOEDL-LLVKDONJSA-N 1 0 315.351 0.170 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000160132646 527212180 /nfs/dbraw/zinc/21/21/80/527212180.db2.gz TYYTYEPUZNTQFJ-NSHDSACASA-N 1 0 316.321 0.739 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000266775214 527415769 /nfs/dbraw/zinc/41/57/69/527415769.db2.gz YBLPESGVRVCGCL-AWEZNQCLSA-N 1 0 320.353 0.686 20 5 DCBDRO CC(C)C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000299553730 527994104 /nfs/dbraw/zinc/99/41/04/527994104.db2.gz WRNRRELZVWIWDA-UHFFFAOYSA-N 1 0 322.365 0.557 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415435452 529051289 /nfs/dbraw/zinc/05/12/89/529051289.db2.gz IPHKEEQESPFLET-LLVKDONJSA-N 1 0 312.301 0.772 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[N@@H+]3CCC[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC000738367960 598498745 /nfs/dbraw/zinc/49/87/45/598498745.db2.gz ACBOTMUSWHDJOB-VIFPVBQESA-N 1 0 316.325 0.454 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(F)F)C1 ZINC001021768505 658375656 /nfs/dbraw/zinc/37/56/56/658375656.db2.gz APUKGUPRZYXWSO-OCAPTIKFSA-N 1 0 317.296 0.720 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000933296233 658720091 /nfs/dbraw/zinc/72/00/91/658720091.db2.gz VPKCDFUMQPKYQF-GFCCVEGCSA-N 1 0 309.370 0.898 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064103 658816557 /nfs/dbraw/zinc/81/65/57/658816557.db2.gz WKNKMZMQOJKTND-RDBQEKCUSA-N 1 0 319.365 0.231 20 5 DCBDRO Cc1nc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)oc1C ZINC000983647651 661996514 /nfs/dbraw/zinc/99/65/14/661996514.db2.gz BDXDPGKCBNYIJH-FDYHWXHSSA-N 1 0 322.365 0.941 20 5 DCBDRO Cn1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000985432345 662443984 /nfs/dbraw/zinc/44/39/84/662443984.db2.gz ZYAZGYZCPRBADJ-ZIAGYGMSSA-N 1 0 321.381 0.508 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000903874486 663491104 /nfs/dbraw/zinc/49/11/04/663491104.db2.gz BUOGMXFNLWRFKT-CYBMUJFWSA-N 1 0 322.365 0.762 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)CNC[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000906614184 663624118 /nfs/dbraw/zinc/62/41/18/663624118.db2.gz JNHLHZXUWNQHSH-CABCVRRESA-N 1 0 309.366 0.675 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CSCCS2)c1 ZINC000229599901 664606543 /nfs/dbraw/zinc/60/65/43/664606543.db2.gz BVVQUPZJBWBWRW-MNOVXSKESA-N 1 0 318.424 0.590 20 5 DCBDRO O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662286 665273666 /nfs/dbraw/zinc/27/36/66/665273666.db2.gz ALDVOZJKAYEQBV-GHMZBOCLSA-N 1 0 303.309 0.745 20 5 DCBDRO CO[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000922614215 666495281 /nfs/dbraw/zinc/49/52/81/666495281.db2.gz FUPRDMDXFZVGQH-ZDUSSCGKSA-N 1 0 314.363 0.888 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cscn2)CC1 ZINC000996441393 666786642 /nfs/dbraw/zinc/78/66/42/666786642.db2.gz RKHJMLZMDVTTDV-VXGBXAGGSA-N 1 0 310.379 0.889 20 5 DCBDRO Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429678 666791233 /nfs/dbraw/zinc/79/12/33/666791233.db2.gz SGLSSLJHGCCYSG-CHWSQXEVSA-N 1 0 307.354 0.166 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH2+]CC23CCCCC3)c1 ZINC000923327388 667509848 /nfs/dbraw/zinc/50/98/48/667509848.db2.gz PGMDPGRXQNNEMP-AWEZNQCLSA-N 1 0 323.397 0.760 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000923380335 667521071 /nfs/dbraw/zinc/52/10/71/667521071.db2.gz HCBUOVYVUBAAPT-CORIIIEPSA-N 1 0 323.349 0.007 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC[C@H]([NH2+]CCO)C2)c1 ZINC000923409091 667528748 /nfs/dbraw/zinc/52/87/48/667528748.db2.gz PFGMUIDHTLDTFI-DZGCQCFKSA-N 1 0 309.366 0.675 20 5 DCBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC000923466305 667537646 /nfs/dbraw/zinc/53/76/46/667537646.db2.gz MRCYSWDWJQZMLC-GFCCVEGCSA-N 1 0 321.381 0.417 20 5 DCBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923522522 667555362 /nfs/dbraw/zinc/55/53/62/667555362.db2.gz ANHCXGCNRPSKDE-YPMHNXCESA-N 1 0 311.363 0.166 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000923531606 667556394 /nfs/dbraw/zinc/55/63/94/667556394.db2.gz TXHXJBUCODVHHA-KGLIPLIRSA-N 1 0 309.370 0.370 20 5 DCBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000841523348 667689095 /nfs/dbraw/zinc/68/90/95/667689095.db2.gz BDXPWXURQXOZGF-MRVPVSSYSA-N 1 0 305.381 0.886 20 5 DCBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])cn1 ZINC000885873813 667715120 /nfs/dbraw/zinc/71/51/20/667715120.db2.gz ZQVDRUZQOAVVIO-LBPRGKRZSA-N 1 0 320.349 0.973 20 5 DCBDRO CN1CC[NH+](C2CCN(Cn3nccc3[N+](=O)[O-])CC2)CC1 ZINC000872731696 667934446 /nfs/dbraw/zinc/93/44/46/667934446.db2.gz DUPAZNXTIVKQAA-UHFFFAOYSA-N 1 0 308.386 0.461 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC12CC[NH+](C)CC2 ZINC000889218772 667956549 /nfs/dbraw/zinc/95/65/49/667956549.db2.gz XFETZUIXFCFBOX-UHFFFAOYSA-N 1 0 307.354 0.796 20 5 DCBDRO O=C(NCCO)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000749673619 667960075 /nfs/dbraw/zinc/96/00/75/667960075.db2.gz KFCMMBLWONXQJS-UHFFFAOYSA-N 1 0 321.377 0.958 20 5 DCBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839722005 668136542 /nfs/dbraw/zinc/13/65/42/668136542.db2.gz STZJKMCCXGGUPF-RBSFLKMASA-N 1 0 319.361 0.535 20 5 DCBDRO C[C@H]1CN(Cn2nccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763336876 668405504 /nfs/dbraw/zinc/40/55/04/668405504.db2.gz NWSPDZWGMFFKNK-UONOGXRCSA-N 1 0 322.413 0.707 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877283984 668590659 /nfs/dbraw/zinc/59/06/59/668590659.db2.gz ZFLVRGBMJOFPCK-NWDGAFQWSA-N 1 0 306.322 0.109 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768891786 668626755 /nfs/dbraw/zinc/62/67/55/668626755.db2.gz MOCKUFHNLZQUAY-SNVBAGLBSA-N 1 0 321.380 0.001 20 5 DCBDRO CN1C(=O)[C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC000877720716 668642161 /nfs/dbraw/zinc/64/21/61/668642161.db2.gz VLPRVZRKGFFSCB-BETUJISGSA-N 1 0 303.318 0.684 20 5 DCBDRO O=C1C[C@@]2(CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000789355995 669488892 /nfs/dbraw/zinc/48/88/92/669488892.db2.gz WZFXQWFKXIGQBP-ZFWWWQNUSA-N 1 0 305.334 0.840 20 5 DCBDRO C[NH+]1CCC2(CCCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1 ZINC000799028856 670034978 /nfs/dbraw/zinc/03/49/78/670034978.db2.gz OXRJYBXKAADQEF-UHFFFAOYSA-N 1 0 322.369 0.521 20 5 DCBDRO Nc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000808218504 670399694 /nfs/dbraw/zinc/39/96/94/670399694.db2.gz IUJUSUXJDLLSOT-NSHDSACASA-N 1 0 308.338 0.364 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000808225294 670399973 /nfs/dbraw/zinc/39/99/73/670399973.db2.gz ZZWZJLZQSKRVGM-JTQLQIEISA-N 1 0 308.338 0.364 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808225295 670400365 /nfs/dbraw/zinc/40/03/65/670400365.db2.gz ZZWZJLZQSKRVGM-SNVBAGLBSA-N 1 0 308.338 0.364 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000817118361 670897019 /nfs/dbraw/zinc/89/70/19/670897019.db2.gz TXBHBPFKINABPR-QWRGUYRKSA-N 1 0 320.349 0.969 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@H]1C[NH2+]CCO1 ZINC000818011246 670962228 /nfs/dbraw/zinc/96/22/28/670962228.db2.gz CZXNATHKAICMMO-SNVBAGLBSA-N 1 0 313.285 0.217 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000819052996 671089952 /nfs/dbraw/zinc/08/99/52/671089952.db2.gz HUYPIBFNAFJUEN-AAEUAGOBSA-N 1 0 314.363 0.795 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000819172504 671100252 /nfs/dbraw/zinc/10/02/52/671100252.db2.gz YRQMJOAFYIJPFV-QWHCGFSZSA-N 1 0 314.363 0.795 20 5 DCBDRO NS(=O)(=O)CCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819333037 671112730 /nfs/dbraw/zinc/11/27/30/671112730.db2.gz ZWEHAURBGPIFIN-GFCCVEGCSA-N 1 0 317.367 0.287 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000827264430 671520006 /nfs/dbraw/zinc/52/00/06/671520006.db2.gz BQXFBZYSIKMFEG-QWRGUYRKSA-N 1 0 307.354 0.977 20 5 DCBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C[NH3+])C1 ZINC000834299554 671753239 /nfs/dbraw/zinc/75/32/39/671753239.db2.gz VRMORQVEVRWYFB-SNVBAGLBSA-N 1 0 312.757 0.963 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841198103 671919365 /nfs/dbraw/zinc/91/93/65/671919365.db2.gz YTYCYFLPXATNSD-SSDOTTSWSA-N 1 0 314.729 0.898 20 5 DCBDRO Cn1nccc1[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843107829 672062310 /nfs/dbraw/zinc/06/23/10/672062310.db2.gz LAEZCHOGTRFYLM-JSGCOSHPSA-N 1 0 306.322 0.685 20 5 DCBDRO Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000843483672 672102586 /nfs/dbraw/zinc/10/25/86/672102586.db2.gz VETAZJODKAQSTM-GDGBQDQQSA-N 1 0 306.278 0.759 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000843854574 672125171 /nfs/dbraw/zinc/12/51/71/672125171.db2.gz SWDFUQCIRZEEFI-CQSZACIVSA-N 1 0 311.313 0.839 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1=O ZINC000844762845 672201276 /nfs/dbraw/zinc/20/12/76/672201276.db2.gz MIXHMTSXTLDBAH-UHFFFAOYSA-N 1 0 314.386 0.054 20 5 DCBDRO Cn1cc(CN2C[C@H]3CC[C@@H](C2)N3C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001017545468 692934710 /nfs/dbraw/zinc/93/47/10/692934710.db2.gz JCJSWLXMYPOUCG-XJFOESAGSA-N 1 0 319.365 0.261 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001304661883 1159154725 /nfs/dbraw/zinc/15/47/25/1159154725.db2.gz PHSNCWODUNSHFM-STQMWFEESA-N 1 0 308.338 0.594 20 5 DCBDRO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)C(N)=O ZINC001570207150 1161492348 /nfs/dbraw/zinc/49/23/48/1161492348.db2.gz GKOJFDDCFMFGFJ-UHFFFAOYSA-N 1 0 308.338 0.360 20 5 DCBDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001573960061 1163604464 /nfs/dbraw/zinc/60/44/64/1163604464.db2.gz CQOLVQQUEYPZMM-UKRRQHHQSA-N 1 0 323.349 0.857 20 5 DCBDRO COCC[C@@H]([NH3+])C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001573976356 1163615242 /nfs/dbraw/zinc/61/52/42/1163615242.db2.gz QCASSQVHUQJUQW-CYBMUJFWSA-N 1 0 309.322 0.548 20 5 DCBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001576909120 1164526319 /nfs/dbraw/zinc/52/63/19/1164526319.db2.gz PIDFDSDVECXZKG-WDSKDSINSA-N 1 0 317.733 0.814 20 5 DCBDRO CO[C@@H](C[NH3+])CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001578907758 1165155805 /nfs/dbraw/zinc/15/58/05/1165155805.db2.gz MLMVSLWWFOAPPN-MRVPVSSYSA-N 1 0 303.265 0.853 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001579242634 1165247914 /nfs/dbraw/zinc/24/79/14/1165247914.db2.gz UZPYUOWFOWUDHP-LLVKDONJSA-N 1 0 321.333 0.854 20 5 DCBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CC[NH2+][C@@H](CCO)C1 ZINC001579992951 1165463555 /nfs/dbraw/zinc/46/35/55/1165463555.db2.gz ORPRBXDUYPVEIB-ZETCQYMHSA-N 1 0 323.275 0.508 20 5 DCBDRO [NH3+][C@@]1(CO)CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC001580155267 1165522301 /nfs/dbraw/zinc/52/23/01/1165522301.db2.gz SRPLSHAOFGBXCM-HNNXBMFYSA-N 1 0 307.350 0.840 20 5 DCBDRO O=C(N[C@H]1COC2(C[NH2+]C2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001580622433 1165662829 /nfs/dbraw/zinc/66/28/29/1165662829.db2.gz GHACWUIQTVNGHC-SECBINFHSA-N 1 0 321.289 0.184 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001591012220 1167079112 /nfs/dbraw/zinc/07/91/12/1167079112.db2.gz MNINNXMGUFXGJN-CYBMUJFWSA-N 1 0 321.341 0.499 20 5 DCBDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC001620964888 1167986467 /nfs/dbraw/zinc/98/64/67/1167986467.db2.gz JVBAOEJACZUPBC-LLVKDONJSA-N 1 0 307.310 0.346 20 5 DCBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 ZINC001604674810 1169650124 /nfs/dbraw/zinc/65/01/24/1169650124.db2.gz CLCIWNUEVOEWNI-UHFFFAOYSA-N 1 0 318.341 0.863 20 5 DCBDRO C[NH+](C)C[C@@H](CO)Nc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001604678028 1169653432 /nfs/dbraw/zinc/65/34/32/1169653432.db2.gz UJGLOTYVWUCQOW-VIFPVBQESA-N 1 0 307.314 0.109 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC001620524216 1171404336 /nfs/dbraw/zinc/40/43/36/1171404336.db2.gz OOSPKDDZVODKCH-KBXIAJHMSA-N 1 0 324.381 0.778 20 5 DCBDRO Nc1ncc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001624812052 1171461301 /nfs/dbraw/zinc/46/13/01/1171461301.db2.gz MURLJOMKQPLPLP-MNOVXSKESA-N 1 0 305.338 0.929 20 5 DCBDRO CCO[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001637702762 1171774743 /nfs/dbraw/zinc/77/47/43/1171774743.db2.gz KJKKYULEOAZRGU-LLVKDONJSA-N 1 0 310.354 0.874 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@@H]21 ZINC001640289207 1171874747 /nfs/dbraw/zinc/87/47/47/1171874747.db2.gz OXRWSJJYUGOUSA-ONGXEEELSA-N 1 0 305.338 0.619 20 5 DCBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001645374731 1172041006 /nfs/dbraw/zinc/04/10/06/1172041006.db2.gz DPFDJCHUBCYYPA-LLVKDONJSA-N 1 0 308.338 0.906 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@](C)(O)CC[NH+](C)C)n1 ZINC001650956421 1173737813 /nfs/dbraw/zinc/73/78/13/1173737813.db2.gz YRJCZTUQIZNLOJ-ZDUSSCGKSA-N 1 0 313.358 0.244 20 5 DCBDRO Cc1ccc(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)c(N)c1[N+](=O)[O-] ZINC001653218157 1173782878 /nfs/dbraw/zinc/78/28/78/1173782878.db2.gz VDENLEHCELWPNF-ZYHUDNBSSA-N 1 0 319.365 0.812 20 5 DCBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001654229439 1173802238 /nfs/dbraw/zinc/80/22/38/1173802238.db2.gz MXJISZGIWDMXEJ-INTQDDNPSA-N 1 0 306.322 0.174 20 5 DCBDRO Cn1nnnc1CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001654503596 1173806625 /nfs/dbraw/zinc/80/66/25/1173806625.db2.gz NREDMGOEPGBUKF-ZDUSSCGKSA-N 1 0 306.326 0.158 20 5 DCBDRO CS(=O)(=O)c1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC001657478772 1173912022 /nfs/dbraw/zinc/91/20/22/1173912022.db2.gz DUUIFZUBSPRAEI-UHFFFAOYSA-N 1 0 324.362 0.985 20 5 DCBDRO Cc1ccc(C[NH2+]C[C@@H](O)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001658694824 1173924639 /nfs/dbraw/zinc/92/46/39/1173924639.db2.gz LHIAARLAICLIAW-LLVKDONJSA-N 1 0 302.352 0.398 20 5 DCBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659189748 1173931909 /nfs/dbraw/zinc/93/19/09/1173931909.db2.gz OHRPLKSBIMOMTD-NTZNESFSSA-N 1 0 322.365 0.731 20 5 DCBDRO CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001661561031 1174135255 /nfs/dbraw/zinc/13/52/55/1174135255.db2.gz BQYOPDATLMBJBD-BETUJISGSA-N 1 0 320.349 0.468 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cn[nH]n1 ZINC001699280800 1178023321 /nfs/dbraw/zinc/02/33/21/1178023321.db2.gz ZRJXPGAJCZZYAH-ONEGZZNKSA-N 1 0 316.321 0.789 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccsn1 ZINC001713603486 1180960123 /nfs/dbraw/zinc/96/01/23/1180960123.db2.gz KVOZNSOKLIRUPS-UHFFFAOYSA-N 1 0 324.366 0.647 20 5 DCBDRO CCN(CC[NH2+]Cc1cnc(C)cn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716217515 1182260252 /nfs/dbraw/zinc/26/02/52/1182260252.db2.gz VRXBLUMJUYULHP-CHWSQXEVSA-N 1 0 307.354 0.388 20 5 DCBDRO O=C(NCC1([NH2+]CC2CCOCC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717150049 1182697106 /nfs/dbraw/zinc/69/71/06/1182697106.db2.gz MBMXFTJXEQCEIG-CHWSQXEVSA-N 1 0 311.382 0.707 20 5 DCBDRO Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001733772424 1186441590 /nfs/dbraw/zinc/44/15/90/1186441590.db2.gz CFJSXEWVJCOFJT-CHWSQXEVSA-N 1 0 310.354 0.929 20 5 DCBDRO O=[N+]([O-])c1ccc2ncnc(N3CCN4CC[NH2+]C[C@H]4C3)c2c1 ZINC001164398766 718833147 /nfs/dbraw/zinc/83/31/47/718833147.db2.gz LCFHMKTWZXJASG-LBPRGKRZSA-N 1 0 314.349 0.632 20 5 DCBDRO CCOc1nc(N2CCN3CC[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164402818 718837205 /nfs/dbraw/zinc/83/72/05/718837205.db2.gz HQDCESLMKIBHHI-NSHDSACASA-N 1 0 307.354 0.482 20 5 DCBDRO CC(C)Oc1nc(N2CCN3CC[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164404992 718840875 /nfs/dbraw/zinc/84/08/75/718840875.db2.gz OBACTSFQIIZKPX-GFCCVEGCSA-N 1 0 321.381 0.871 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]21 ZINC001164669312 719415253 /nfs/dbraw/zinc/41/52/53/719415253.db2.gz LNIWAZZREQYZOS-NWDGAFQWSA-N 1 0 303.322 0.990 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164923543 721859844 /nfs/dbraw/zinc/85/98/44/721859844.db2.gz ASHXNNNMSWCWPR-CHWSQXEVSA-N 1 0 320.397 0.908 20 5 DCBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925627 721868776 /nfs/dbraw/zinc/86/87/76/721868776.db2.gz OXGWENSKAFTQDB-NEPJUHHUSA-N 1 0 320.397 0.787 20 5 DCBDRO Cc1nc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001164932868 721886620 /nfs/dbraw/zinc/88/66/20/721886620.db2.gz KDAPWALXYCRSHY-STQMWFEESA-N 1 0 320.397 0.908 20 5 DCBDRO [NH3+]CCc1nnn(-c2nc3cc([N+](=O)[O-])ccc3nc2Cl)n1 ZINC001167790701 748312175 /nfs/dbraw/zinc/31/21/75/748312175.db2.gz CBIQVZBBGOATOY-UHFFFAOYSA-N 1 0 320.700 0.668 20 5 DCBDRO CC1(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001168184285 749603860 /nfs/dbraw/zinc/60/38/60/749603860.db2.gz WHXOYBCDYOFTAC-UHFFFAOYSA-N 1 0 322.369 0.775 20 5 DCBDRO Cc1ccccc1OCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938739 750152261 /nfs/dbraw/zinc/15/22/61/750152261.db2.gz IRVAKWFXJOXANU-CHWSQXEVSA-N 1 0 307.350 0.745 20 5 DCBDRO COc1nc(C)c(N(CC[NH3+])S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001162129392 754010729 /nfs/dbraw/zinc/01/07/29/754010729.db2.gz YNWWIQBGBXRLIZ-UHFFFAOYSA-N 1 0 304.328 0.032 20 5 DCBDRO [NH3+]Cc1ccnn1-c1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001162593222 754466472 /nfs/dbraw/zinc/46/64/72/754466472.db2.gz DAPAPLUAVGZBSZ-UHFFFAOYSA-N 1 0 314.099 0.635 20 5 DCBDRO Cc1ncoc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086084571 759694904 /nfs/dbraw/zinc/69/49/04/759694904.db2.gz WFGNXCLPNRGOKQ-WRWGMCAJSA-N 1 0 308.338 0.633 20 5 DCBDRO Cc1nccnc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363181 760101310 /nfs/dbraw/zinc/10/13/10/760101310.db2.gz GRIQIWHJOQXAAJ-HKUMRIAESA-N 1 0 319.365 0.435 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)C1 ZINC001168978791 760528259 /nfs/dbraw/zinc/52/82/59/760528259.db2.gz UHIVCWTWNXZCML-NEPJUHHUSA-N 1 0 305.400 0.447 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCCC2)C1 ZINC001168978794 760528520 /nfs/dbraw/zinc/52/85/20/760528520.db2.gz UHIVCWTWNXZCML-VXGBXAGGSA-N 1 0 305.400 0.447 20 5 DCBDRO CS(=O)(=O)N1CCC(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168993615 760538807 /nfs/dbraw/zinc/53/88/07/760538807.db2.gz NSEBBZOLQBMZPA-STQMWFEESA-N 1 0 319.427 0.693 20 5 DCBDRO COCCN1C[C@@H]2C[N@@H+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)C[C@@H]2C1=O ZINC001169020116 760559283 /nfs/dbraw/zinc/55/92/83/760559283.db2.gz IMUSWIWNWZKRKV-CRWXNKLISA-N 1 0 311.382 0.468 20 5 DCBDRO CN1CCN(C)C2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169018454 760559328 /nfs/dbraw/zinc/55/93/28/760559328.db2.gz CFPQHDKSDXBTOU-UONOGXRCSA-N 1 0 324.425 0.670 20 5 DCBDRO CN(C)C(=O)c1nn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2c1C[NH2+]CC2 ZINC001169018376 760559604 /nfs/dbraw/zinc/55/96/04/760559604.db2.gz AVVXYEHLNMRPIC-WDEREUQCSA-N 1 0 321.381 0.849 20 5 DCBDRO [NH3+]Cc1cnnn1-c1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001169310242 760641816 /nfs/dbraw/zinc/64/18/16/760641816.db2.gz RNTGVRGNRAFMGW-UHFFFAOYSA-N 1 0 315.087 0.030 20 5 DCBDRO Cn1c(=O)cc(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)[nH]c1=O ZINC001169998552 761406051 /nfs/dbraw/zinc/40/60/51/761406051.db2.gz JBVFSXQJKXLFQY-UHFFFAOYSA-N 1 0 303.278 0.741 20 5 DCBDRO CCOC(=O)c1cnc(NC[C@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170034736 761633215 /nfs/dbraw/zinc/63/32/15/761633215.db2.gz FMQQMEXGIBPQHW-JTQLQIEISA-N 1 0 310.310 0.567 20 5 DCBDRO C[NH+](C)C1CCN(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001149003561 768066106 /nfs/dbraw/zinc/06/61/06/768066106.db2.gz DNAUYWVJBVQNRT-UHFFFAOYSA-N 1 0 314.430 0.964 20 5 DCBDRO CN(CCNC(=O)C1(C[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cn1 ZINC001100288824 763460910 /nfs/dbraw/zinc/46/09/10/763460910.db2.gz SGOMEGIBIUUWKD-UHFFFAOYSA-N 1 0 321.381 0.884 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](Nc2nc(Cl)nc(C)c2[N+](=O)[O-])CN1 ZINC001158251538 763672466 /nfs/dbraw/zinc/67/24/66/763672466.db2.gz NCJANQCUUQBHIQ-RQJHMYQMSA-N 1 0 315.717 0.662 20 5 DCBDRO NC(=O)C1(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001133185173 764863968 /nfs/dbraw/zinc/86/39/68/764863968.db2.gz XDSJYARFIVOGIO-UHFFFAOYSA-N 1 0 306.322 0.066 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1n[nH]cc1F ZINC001133481139 764976681 /nfs/dbraw/zinc/97/66/81/764976681.db2.gz QZIBZYGODFVJAA-UHFFFAOYSA-N 1 0 307.285 0.977 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116342077 765862660 /nfs/dbraw/zinc/86/26/60/765862660.db2.gz MDLCTYPERCGVPC-VXGBXAGGSA-N 1 0 322.365 0.555 20 5 DCBDRO Nc1nccnc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125029001 768340809 /nfs/dbraw/zinc/34/08/09/768340809.db2.gz DVSWXXGUEBWVJI-UHFFFAOYSA-N 1 0 316.321 0.487 20 5 DCBDRO CCn1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1 ZINC001135994444 766201755 /nfs/dbraw/zinc/20/17/55/766201755.db2.gz UVPOFGYDQGZGFL-UHFFFAOYSA-N 1 0 318.337 0.726 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])c2nccn2c1 ZINC001170994921 766378964 /nfs/dbraw/zinc/37/89/64/766378964.db2.gz COPSALHBGJVURX-UHFFFAOYSA-N 1 0 307.310 0.571 20 5 DCBDRO NC(=O)CN1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001120559930 767078677 /nfs/dbraw/zinc/07/86/77/767078677.db2.gz ZQUUCBGVMGMCAC-AWEZNQCLSA-N 1 0 322.365 0.168 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)n1 ZINC001147352421 767722052 /nfs/dbraw/zinc/72/20/52/767722052.db2.gz LLKAQUIBFHBNLY-RISCZKNCSA-N 1 0 321.381 0.662 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1[N+](=O)[O-] ZINC001141281406 768573326 /nfs/dbraw/zinc/57/33/26/768573326.db2.gz XBQRVECZXAHIFW-JTQLQIEISA-N 1 0 311.342 0.203 20 5 DCBDRO C[NH+](C)CCOCC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001093750191 768711722 /nfs/dbraw/zinc/71/17/22/768711722.db2.gz OTOSXPYCSKXVRL-UHFFFAOYSA-N 1 0 310.354 0.701 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H](O)CO)c1F ZINC001173175406 769555522 /nfs/dbraw/zinc/55/55/22/769555522.db2.gz BSTIWKAFRHHBTE-RKDXNWHRSA-N 1 0 302.302 0.616 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H](CO)Cc1c[nH]cn1 ZINC001152486531 769575827 /nfs/dbraw/zinc/57/58/27/769575827.db2.gz XXSXYNAWPWEESP-LBPRGKRZSA-N 1 0 304.306 0.580 20 5 DCBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001153245683 769760388 /nfs/dbraw/zinc/76/03/88/769760388.db2.gz KRRXCXUQTUNALC-CYBMUJFWSA-N 1 0 320.349 0.535 20 5 DCBDRO COc1cc(C)nc(N(CC[NH3+])S(C)(=O)=O)c1[N+](=O)[O-] ZINC001154766149 770288128 /nfs/dbraw/zinc/28/81/28/770288128.db2.gz URQYHFWEPOPKGD-UHFFFAOYSA-N 1 0 304.328 0.032 20 5 DCBDRO COC(=O)c1cnc(N2CCOC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001154970873 770355686 /nfs/dbraw/zinc/35/56/86/770355686.db2.gz YGZYLKNGDWBDJW-NSHDSACASA-N 1 0 324.337 0.543 20 5 DCBDRO COC(=O)NCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155129684 770408934 /nfs/dbraw/zinc/40/89/34/770408934.db2.gz RWCLGKYFCGSBAK-UHFFFAOYSA-N 1 0 324.337 0.547 20 5 DCBDRO O=[N+]([O-])c1cnc(NCc2nnn3c2C[NH2+]CCC3)c(F)c1 ZINC001155394280 770490247 /nfs/dbraw/zinc/49/02/47/770490247.db2.gz RDJNXBGGHPMWDF-UHFFFAOYSA-N 1 0 307.289 0.826 20 5 DCBDRO COc1nc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ncc1[N+](=O)[O-] ZINC001155515438 770531244 /nfs/dbraw/zinc/53/12/44/770531244.db2.gz XTWPPGLQJDVAIR-FXPVBKGRSA-N 1 0 309.326 0.430 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cnc3cc([N+](=O)[O-])ccc3n2)N1 ZINC001155570404 770547682 /nfs/dbraw/zinc/54/76/82/770547682.db2.gz MSQLKJTUCPQFIP-SMDDNHRTSA-N 1 0 314.305 0.528 20 5 DCBDRO COc1nc(-n2ccc(C[NH3+])cc2=N)nc(OC)c1[N+](=O)[O-] ZINC001156850032 770943392 /nfs/dbraw/zinc/94/33/92/770943392.db2.gz AIKFVESKRWLLSG-UHFFFAOYSA-N 1 0 306.282 0.131 20 5 DCBDRO COc1c(O)ccc(CNC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001180594549 771146525 /nfs/dbraw/zinc/14/65/25/771146525.db2.gz SVNPNLHYVIZIKJ-AWEZNQCLSA-N 1 0 311.338 0.465 20 5 DCBDRO [NH3+]Cc1nnnn1-c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001158074499 771722078 /nfs/dbraw/zinc/72/20/78/771722078.db2.gz DTSOOKFDDOCNMW-UHFFFAOYSA-N 1 0 306.673 0.626 20 5 DCBDRO COc1cc(N2CC([N@H+](C)[C@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001158731788 771815652 /nfs/dbraw/zinc/81/56/52/771815652.db2.gz YWQKHXGLCSECOZ-JTQLQIEISA-N 1 0 308.338 0.908 20 5 DCBDRO Nc1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC001159092168 771860105 /nfs/dbraw/zinc/86/01/05/771860105.db2.gz VOTFXWKEVKRMOY-NSHDSACASA-N 1 0 323.353 0.149 20 5 DCBDRO CSc1nc(Cl)nc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001159679064 771943550 /nfs/dbraw/zinc/94/35/50/771943550.db2.gz SEVQETRBELYMFA-PHDIDXHHSA-N 1 0 319.774 0.752 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001159683256 771944591 /nfs/dbraw/zinc/94/45/91/771944591.db2.gz RXHOFGABVBOQBB-WPRPVWTQSA-N 1 0 310.310 0.159 20 5 DCBDRO [NH3+]CCN(CCNc1ncc([N+](=O)[O-])cc1F)N(O)N=O ZINC001161086754 772164884 /nfs/dbraw/zinc/16/48/84/772164884.db2.gz AUUHJVCRYZVFJR-UHFFFAOYSA-N 1 0 303.254 0.089 20 5 DCBDRO [NH3+]CCN(CCNc1ncc(Cl)cc1[N+](=O)[O-])N(O)N=O ZINC001161087834 772165726 /nfs/dbraw/zinc/16/57/26/772165726.db2.gz UDIGYTGHQDYBBK-UHFFFAOYSA-N 1 0 319.709 0.603 20 5 DCBDRO Cc1noc(C2(Nc3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)CC2)n1 ZINC001161312834 772202354 /nfs/dbraw/zinc/20/23/54/772202354.db2.gz WRWQFGKLVOWNSL-UHFFFAOYSA-N 1 0 317.309 0.864 20 5 DCBDRO [NH3+][C@H]1COC[C@H]1Nc1cc([N+](=O)[O-])cc(Br)n1 ZINC001162921008 772432299 /nfs/dbraw/zinc/43/22/99/772432299.db2.gz JILFBRRZYWIGIZ-NKWVEPMBSA-N 1 0 303.116 0.890 20 5 DCBDRO NC(=O)c1ccnc(NCc2noc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001163129769 772468966 /nfs/dbraw/zinc/46/89/66/772468966.db2.gz NWYNJMIBTFVTRM-UHFFFAOYSA-N 1 0 318.293 0.335 20 5 DCBDRO COc1nc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)nc(C)c1[N+](=O)[O-] ZINC001163164027 772475561 /nfs/dbraw/zinc/47/55/61/772475561.db2.gz OQCVTFMWHDIMLT-GMTAPVOTSA-N 1 0 323.353 0.738 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163196791 772480721 /nfs/dbraw/zinc/48/07/21/772480721.db2.gz HWDCMQIQTUBVGD-YMTOWFKASA-N 1 0 322.321 0.628 20 5 DCBDRO COc1nc(C)c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163250327 772490844 /nfs/dbraw/zinc/49/08/44/772490844.db2.gz NHRJFYHFEIZWPY-ZWNOBZJWSA-N 1 0 307.310 0.297 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001163273003 772497701 /nfs/dbraw/zinc/49/77/01/772497701.db2.gz XHUXPFMIHLFHDG-YGRLFVJLSA-N 1 0 323.353 0.964 20 5 DCBDRO Cn1cc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1=O ZINC001163281169 772498295 /nfs/dbraw/zinc/49/82/95/772498295.db2.gz WGYUAENBTWYILV-ABAIWWIYSA-N 1 0 322.365 0.864 20 5 DCBDRO CCOC(=O)c1cn(-c2c(C)c([N+](=O)[O-])cc[n+]2[O-])nc1C[NH3+] ZINC001163525098 772535156 /nfs/dbraw/zinc/53/51/56/772535156.db2.gz RXZHUHSDBOCTHU-UHFFFAOYSA-N 1 0 321.293 0.358 20 5 DCBDRO COC(=O)c1cnc(-n2cnc3c2C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001164313645 772644665 /nfs/dbraw/zinc/64/46/65/772644665.db2.gz NETVMJRIPKQAJR-UHFFFAOYSA-N 1 0 303.278 0.608 20 5 DCBDRO NC(=O)c1ccnc(NC[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001164350292 772648925 /nfs/dbraw/zinc/64/89/25/772648925.db2.gz IDSGZKHFCQNUOD-JTQLQIEISA-N 1 0 305.338 0.842 20 5 DCBDRO [NH3+][C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]1O ZINC001165147206 772700725 /nfs/dbraw/zinc/70/07/25/772700725.db2.gz HPGVQPDQWDEHPC-IYSWYEEDSA-N 1 0 308.672 0.696 20 5 DCBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1nccnc1[N+](=O)[O-] ZINC001166452853 772813239 /nfs/dbraw/zinc/81/32/39/772813239.db2.gz LGZCWQMGVAKOOG-UHFFFAOYSA-N 1 0 323.334 0.941 20 5 DCBDRO CO[C@@H]1CCCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001166952436 772886885 /nfs/dbraw/zinc/88/68/85/772886885.db2.gz XQZCWDWVPAPKHF-LLVKDONJSA-N 1 0 322.369 0.410 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]([NH3+])C(F)(F)C1 ZINC001166959264 772889731 /nfs/dbraw/zinc/88/97/31/772889731.db2.gz DBHIOVWLVNEBFZ-VIFPVBQESA-N 1 0 316.264 0.949 20 5 DCBDRO CNC(=O)[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001195307809 773374421 /nfs/dbraw/zinc/37/44/21/773374421.db2.gz YFLCIDZLTWNLRZ-NWDGAFQWSA-N 1 0 323.349 0.402 20 5 DCBDRO C[N@@H+]1CCN[C@H](c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C1 ZINC001211457653 773808548 /nfs/dbraw/zinc/80/85/48/773808548.db2.gz SVZQPPRFZFVFHS-QMMMGPOBSA-N 1 0 308.273 0.755 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc(-n2cncn2)cc1 ZINC001223381246 775486672 /nfs/dbraw/zinc/48/66/72/775486672.db2.gz GOPLCXVLMPWNCJ-OAHLLOKOSA-N 1 0 319.385 0.768 20 5 DCBDRO CO[C@@H]1O[C@H](COCCC[N+](C)(C)C)[C@H]2OC(C)(C)O[C@@H]12 ZINC001224623305 775590938 /nfs/dbraw/zinc/59/09/38/775590938.db2.gz LWLQWCRVHGGMLH-AAVRWANBSA-N 1 0 304.407 0.991 20 5 DCBDRO CCO[C@H](CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C[NH+](C)C ZINC001595150870 1167968925 /nfs/dbraw/zinc/96/89/25/1167968925.db2.gz OEYZSPBHKXEMRS-CYBMUJFWSA-N 1 0 311.338 0.997 20 5 DCBDRO COCCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001490981190 943694476 /nfs/dbraw/zinc/69/44/76/943694476.db2.gz AZEDQLPGTUBNOU-AOOOYVTPSA-N 1 0 311.342 0.102 20 5 DCBDRO CC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001317562888 945055188 /nfs/dbraw/zinc/05/51/88/945055188.db2.gz MALFPTJCCMLWIK-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H](N1CCN[C@]3(CC[NH2+]C3)C1)C2 ZINC001246641975 945452712 /nfs/dbraw/zinc/45/27/12/945452712.db2.gz KKUPVLSWCFAYNJ-HOTGVXAUSA-N 1 0 302.378 0.699 20 5 DCBDRO CC[NH+]1CCC(N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001319475747 945597114 /nfs/dbraw/zinc/59/71/14/945597114.db2.gz XTDDNVLEKQUZJC-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([N@@H+]3C[C@H](CO)[C@H](O)C3)CC2)cc1 ZINC001254474450 946397265 /nfs/dbraw/zinc/39/72/65/946397265.db2.gz QPZIBAGPRPONEB-MLGOLLRUSA-N 1 0 321.377 0.849 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585996 946412023 /nfs/dbraw/zinc/41/20/23/946412023.db2.gz ZDEHPIZGBCFMSY-GXTWGEPZSA-N 1 0 307.350 0.932 20 5 DCBDRO CON(C)C(=O)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001462361933 1013067345 /nfs/dbraw/zinc/06/73/45/1013067345.db2.gz PIRYIELEGPHQIF-SNVBAGLBSA-N 1 0 324.337 0.921 20 5 DCBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C2)C1 ZINC001324303530 947386129 /nfs/dbraw/zinc/38/61/29/947386129.db2.gz VRXUVGQCZKRJSB-OAHLLOKOSA-N 1 0 320.349 0.311 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001324438514 947425383 /nfs/dbraw/zinc/42/53/83/947425383.db2.gz MFBBSIKURKVGST-LLVKDONJSA-N 1 0 308.338 0.745 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262035089 947536779 /nfs/dbraw/zinc/53/67/79/947536779.db2.gz YGVVPTMTKDQBKN-JTQLQIEISA-N 1 0 320.349 0.333 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)N1CC[NH2+]CC1)C2 ZINC001262195960 947596636 /nfs/dbraw/zinc/59/66/36/947596636.db2.gz SRKDHBVVOSBUEG-UHFFFAOYSA-N 1 0 312.351 0.060 20 5 DCBDRO COC(=O)[C@@]1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCOC1 ZINC001462675945 1013082010 /nfs/dbraw/zinc/08/20/10/1013082010.db2.gz QXTAIJUQUUOKIM-QIMFLAQGSA-N 1 0 324.337 0.664 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001326048396 948031699 /nfs/dbraw/zinc/03/16/99/948031699.db2.gz SXIGUISLUOJKGQ-JTQLQIEISA-N 1 0 318.337 0.903 20 5 DCBDRO C[NH2+]CCNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001328745337 949062933 /nfs/dbraw/zinc/06/29/33/949062933.db2.gz FHUDSBAIKMCVRU-UHFFFAOYSA-N 1 0 314.729 0.200 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001329445989 949599437 /nfs/dbraw/zinc/59/94/37/949599437.db2.gz FDQBDYNZWHOWSX-GHMZBOCLSA-N 1 0 322.365 0.886 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329611652 949716151 /nfs/dbraw/zinc/71/61/51/949716151.db2.gz FCCIDPGRCYYTJT-SECBINFHSA-N 1 0 306.322 0.243 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)C1 ZINC001329760586 949851015 /nfs/dbraw/zinc/85/10/15/949851015.db2.gz RWFCMDKUGZDXBD-HOSYDEDBSA-N 1 0 323.353 0.676 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC001332523721 951678736 /nfs/dbraw/zinc/67/87/36/951678736.db2.gz VLYVNQLVXRULLN-HUUCEWRRSA-N 1 0 307.350 0.379 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001333615666 952114979 /nfs/dbraw/zinc/11/49/79/952114979.db2.gz URZMYARCPBHUHJ-VXGBXAGGSA-N 1 0 320.349 0.597 20 5 DCBDRO CNc1ccc(C(=O)N2CC[NH2+]C[C@@H]2COC)cc1[N+](=O)[O-] ZINC001341622309 953241065 /nfs/dbraw/zinc/24/10/65/953241065.db2.gz DDVQMVUTEKYEQU-LLVKDONJSA-N 1 0 308.338 0.697 20 5 DCBDRO CN1CC[NH2+]C[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001342127469 953271038 /nfs/dbraw/zinc/27/10/38/953271038.db2.gz HZKYPZWDGOMOGT-HNNXBMFYSA-N 1 0 318.377 0.989 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001343057254 953320093 /nfs/dbraw/zinc/32/00/93/953320093.db2.gz XRPKUOMISBSOPF-AWEZNQCLSA-N 1 0 307.350 0.974 20 5 DCBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cs1 ZINC001345246278 953622991 /nfs/dbraw/zinc/62/29/91/953622991.db2.gz GVZGQRXKOBDHOO-UHFFFAOYSA-N 1 0 320.392 0.686 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@@H+]2CCN1C[C@H]2C ZINC001347704846 954153533 /nfs/dbraw/zinc/15/35/33/954153533.db2.gz NNKUSMIDYXQSDD-QMTHXVAHSA-N 1 0 319.365 0.963 20 5 DCBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC001355016964 956579213 /nfs/dbraw/zinc/57/92/13/956579213.db2.gz YBMCHSNJKQMHBT-LSDHHAIUSA-N 1 0 318.377 0.720 20 5 DCBDRO C[C@H](NC(=O)N1CCNCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001357547298 957316062 /nfs/dbraw/zinc/31/60/62/957316062.db2.gz SPNLHSWYBATFTM-LBPRGKRZSA-N 1 0 321.381 0.860 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001357740625 957371619 /nfs/dbraw/zinc/37/16/19/957371619.db2.gz DYAAIKZEBZUNAD-LLVKDONJSA-N 1 0 322.365 0.822 20 5 DCBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1CO ZINC001358040373 957419025 /nfs/dbraw/zinc/41/90/25/957419025.db2.gz YPGYGTZWISCLCG-BFHYXJOUSA-N 1 0 305.334 0.491 20 5 DCBDRO COC[C@H](O)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001308359679 960174384 /nfs/dbraw/zinc/17/43/84/960174384.db2.gz HLAHALFLNQFMQV-SNVBAGLBSA-N 1 0 300.311 0.796 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001523580901 1014723903 /nfs/dbraw/zinc/72/39/03/1014723903.db2.gz LIHOFUVBPNQRAF-LBPRGKRZSA-N 1 0 309.322 0.420 20 5 DCBDRO CN1CCCC[C@H]1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001464733592 1015942607 /nfs/dbraw/zinc/94/26/07/1015942607.db2.gz WRLYPYKJKGICIP-JTQLQIEISA-N 1 0 314.367 0.752 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1C[N@H+](C)CCN1C ZINC001465293011 1015994145 /nfs/dbraw/zinc/99/41/45/1015994145.db2.gz GKXCVLOZESSJIQ-IINYFYTJSA-N 1 0 321.381 0.541 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001471373987 1016566345 /nfs/dbraw/zinc/56/63/45/1016566345.db2.gz OAZKAMNOLVGDNT-AWEZNQCLSA-N 1 0 308.338 0.316 20 5 DCBDRO C[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001440649208 1007938164 /nfs/dbraw/zinc/93/81/64/1007938164.db2.gz WZPQZBVFPILMNC-UHFFFAOYSA-N 1 0 321.381 0.544 20 5 DCBDRO C[N@@H+]1C[C@H](NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001456161336 1010109183 /nfs/dbraw/zinc/10/91/83/1010109183.db2.gz XIGOGQKCKPMXBU-NSHDSACASA-N 1 0 309.370 0.983 20 5 DCBDRO CCO[C@H](CNc1nccc(C(N)=O)c1[N+](=O)[O-])C[NH+](C)C ZINC001458590136 1012224047 /nfs/dbraw/zinc/22/40/47/1012224047.db2.gz GJIQNIPNGPNMCK-SECBINFHSA-N 1 0 311.342 0.467 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@H]21 ZINC001557976353 1012310829 /nfs/dbraw/zinc/31/08/29/1012310829.db2.gz IGKBXEHLHOMOJS-GXSJLCMTSA-N 1 0 305.338 0.738 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC001558358793 1012351355 /nfs/dbraw/zinc/35/13/55/1012351355.db2.gz FEELFPXVRJURJN-UHFFFAOYSA-N 1 0 322.365 0.823 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[NH+]2CCC1CC2 ZINC001558679421 1012378868 /nfs/dbraw/zinc/37/88/68/1012378868.db2.gz NRHRTXJXYGPIKM-LBPRGKRZSA-N 1 0 307.354 0.639 20 5 DCBDRO O=C(CC[N@@H+]1CC[C@H](O)[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001559915256 1012436348 /nfs/dbraw/zinc/43/63/48/1012436348.db2.gz JVWOONRDYKEKTP-FZMZJTMJSA-N 1 0 323.349 0.599 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCC(CO)(CO)CC2)cc1 ZINC001560128464 1012439480 /nfs/dbraw/zinc/43/94/80/1012439480.db2.gz GADYLKACYGVMEM-CQSZACIVSA-N 1 0 310.350 0.695 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001515551956 1017123539 /nfs/dbraw/zinc/12/35/39/1017123539.db2.gz IBJYNQUDQMOTKA-IMRBUKKESA-N 1 0 304.350 0.951 20 5 DCBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cnnn1C ZINC001493535298 1019499629 /nfs/dbraw/zinc/49/96/29/1019499629.db2.gz VCLMMNHYPUJAQD-UHFFFAOYSA-N 1 0 324.366 0.647 20 5 DCBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCO1 ZINC000279102070 214638357 /nfs/dbraw/zinc/63/83/57/214638357.db2.gz RDHWIPSGIAKBMW-OLZOCXBDSA-N 1 0 311.338 0.540 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131873273 529772199 /nfs/dbraw/zinc/77/21/99/529772199.db2.gz HWHKTUKWZNZNPN-UHFFFAOYSA-N 1 0 310.329 0.711 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415404244 529981290 /nfs/dbraw/zinc/98/12/90/529981290.db2.gz BCVNIKDDBDNEIE-SECBINFHSA-N 1 0 308.338 0.813 20 5 DCBDRO C[C@H]1C[N@H+](C)CCN1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789602 232070852 /nfs/dbraw/zinc/07/08/52/232070852.db2.gz BFKLTQVDTZPDEB-STQMWFEESA-N 1 0 309.366 0.970 20 5 DCBDRO COC(=O)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174652226 198365216 /nfs/dbraw/zinc/36/52/16/198365216.db2.gz QNCOBQMZCAOILK-LBPRGKRZSA-N 1 0 312.326 0.037 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000290985365 283079134 /nfs/dbraw/zinc/07/91/34/283079134.db2.gz SHESSCWXNPNHOI-MWLCHTKSSA-N 1 0 305.338 0.619 20 5 DCBDRO C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000180415779 199156586 /nfs/dbraw/zinc/15/65/86/199156586.db2.gz XIVRNWCRPXRXJI-SNVBAGLBSA-N 1 0 318.333 0.843 20 5 DCBDRO COc1cccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000323147346 291258396 /nfs/dbraw/zinc/25/83/96/291258396.db2.gz LYBNSVQRTCOJLL-AWEZNQCLSA-N 1 0 320.349 0.993 20 5 DCBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000566091298 291268472 /nfs/dbraw/zinc/26/84/72/291268472.db2.gz TZHJWDYTZCJJJR-KGLIPLIRSA-N 1 0 323.349 0.857 20 5 DCBDRO CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000566116087 291271903 /nfs/dbraw/zinc/27/19/03/291271903.db2.gz TYNAVGSBBGBYFG-JSGCOSHPSA-N 1 0 323.349 0.545 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000567111169 291337636 /nfs/dbraw/zinc/33/76/36/291337636.db2.gz MAOXQCZRGNXRTC-YNEHKIRRSA-N 1 0 308.334 0.861 20 5 DCBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000567262446 291345806 /nfs/dbraw/zinc/34/58/06/291345806.db2.gz OZVKBRKPCRMQAI-ABAIWWIYSA-N 1 0 323.349 0.593 20 5 DCBDRO NC(=O)c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000450798402 240646947 /nfs/dbraw/zinc/64/69/47/240646947.db2.gz YYKXPVXIIATTMH-TXEJJXNPSA-N 1 0 320.349 0.969 20 5 DCBDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000567725654 291373010 /nfs/dbraw/zinc/37/30/10/291373010.db2.gz DJZLWUATDTWXIA-UHIISALHSA-N 1 0 309.370 0.367 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264753511 204128958 /nfs/dbraw/zinc/12/89/58/204128958.db2.gz SUCWPOZFGSFRBZ-LBPRGKRZSA-N 1 0 322.365 0.336 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000264970103 204312993 /nfs/dbraw/zinc/31/29/93/204312993.db2.gz DXLNMZFBFRUWMB-LLVKDONJSA-N 1 0 322.369 0.071 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000020557202 182231821 /nfs/dbraw/zinc/23/18/21/182231821.db2.gz YBCSVVUVBARNIC-UHFFFAOYSA-N 1 0 315.351 0.587 20 5 DCBDRO COc1ccc(C[NH2+]CCCNS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000106466288 194218722 /nfs/dbraw/zinc/21/87/22/194218722.db2.gz PMKLOMKVSRYAOJ-UHFFFAOYSA-N 1 0 317.367 0.632 20 5 DCBDRO CC[N@H+](C)CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000109817552 194290149 /nfs/dbraw/zinc/29/01/49/194290149.db2.gz YIMNKDRJPFFDSF-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000065841968 184381285 /nfs/dbraw/zinc/38/12/85/184381285.db2.gz QVNZCHPWVHWDRV-UHFFFAOYSA-N 1 0 307.354 0.843 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000339034054 253023090 /nfs/dbraw/zinc/02/30/90/253023090.db2.gz PLMDDBTUNYJXGA-SNVBAGLBSA-N 1 0 310.358 0.328 20 5 DCBDRO C[C@@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000340778417 253302537 /nfs/dbraw/zinc/30/25/37/253302537.db2.gz JOAXZVJJKUJLDA-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO COc1cc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347552185 254167218 /nfs/dbraw/zinc/16/72/18/254167218.db2.gz GOKMCTRMSOOROJ-MFKMUULPSA-N 1 0 321.337 0.907 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349950968 254306021 /nfs/dbraw/zinc/30/60/21/254306021.db2.gz LAUDJEGHIORATN-JTQLQIEISA-N 1 0 308.338 0.568 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351517388 254341662 /nfs/dbraw/zinc/34/16/62/254341662.db2.gz NIDSVSHXYYJYEE-VIFPVBQESA-N 1 0 324.312 0.740 20 5 DCBDRO CNC(=O)NC(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285235055 131150060 /nfs/dbraw/zinc/15/00/60/131150060.db2.gz GFHZSXRBBRCDPA-UHFFFAOYSA-N 1 0 308.338 0.915 20 5 DCBDRO Nc1ccc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000289326278 131374266 /nfs/dbraw/zinc/37/42/66/131374266.db2.gz VCXUSLKVZNHDSV-LBPRGKRZSA-N 1 0 319.365 0.297 20 5 DCBDRO C[NH2+]CCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000121521490 132155909 /nfs/dbraw/zinc/15/59/09/132155909.db2.gz KFJRDVPXTPCLKY-UHFFFAOYSA-N 1 0 304.310 0.515 20 5 DCBDRO CNS(=O)(=O)c1ccc(NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000015206885 395689881 /nfs/dbraw/zinc/68/98/81/395689881.db2.gz IDZBNENORZYXFB-UHFFFAOYSA-N 1 0 302.356 0.476 20 5 DCBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000091461226 395725393 /nfs/dbraw/zinc/72/53/93/395725393.db2.gz CAOZZQKURCLTCT-UHFFFAOYSA-N 1 0 302.356 0.606 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108300943 395788093 /nfs/dbraw/zinc/78/80/93/395788093.db2.gz AMJCRFJXLVFHEY-GFCCVEGCSA-N 1 0 320.349 0.357 20 5 DCBDRO CCOC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000233773583 395887317 /nfs/dbraw/zinc/88/73/17/395887317.db2.gz IGIVZINMXKYJJV-OLZOCXBDSA-N 1 0 300.359 0.803 20 5 DCBDRO O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000053991335 395892061 /nfs/dbraw/zinc/89/20/61/395892061.db2.gz LCONSEDDWVOKCL-ZIAGYGMSSA-N 1 0 304.350 0.827 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])c1 ZINC000054375003 395898844 /nfs/dbraw/zinc/89/88/44/395898844.db2.gz USAKYEGPCSHMHF-SECBINFHSA-N 1 0 314.367 0.301 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000125819165 395906333 /nfs/dbraw/zinc/90/63/33/395906333.db2.gz YOSUGXYFFHVISY-QWRGUYRKSA-N 1 0 320.349 0.533 20 5 DCBDRO C[NH2+]CC1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000237315993 395909395 /nfs/dbraw/zinc/90/93/95/395909395.db2.gz DMLKUGMHOZSMCZ-UHFFFAOYSA-N 1 0 309.370 0.984 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237478005 395913299 /nfs/dbraw/zinc/91/32/99/395913299.db2.gz UABYRAFTAKYOEB-VIFPVBQESA-N 1 0 304.310 0.595 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000230052893 395877399 /nfs/dbraw/zinc/87/73/99/395877399.db2.gz AELQBPLTRVNGIG-UHFFFAOYSA-N 1 0 315.351 0.763 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000065945410 395999028 /nfs/dbraw/zinc/99/90/28/395999028.db2.gz ZXHAOXRFZSFWDL-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO CC(C)N(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000151873997 395994812 /nfs/dbraw/zinc/99/48/12/395994812.db2.gz AOJRTDJFDQNKSO-UHFFFAOYSA-N 1 0 310.354 0.555 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000261597832 396048290 /nfs/dbraw/zinc/04/82/90/396048290.db2.gz PEDLKWSYYQBZQN-WCBMZHEXSA-N 1 0 315.351 0.571 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000068203216 396048975 /nfs/dbraw/zinc/04/89/75/396048975.db2.gz CJHOLFRWFMGJAB-NSHDSACASA-N 1 0 309.370 0.948 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000262001422 396089282 /nfs/dbraw/zinc/08/92/82/396089282.db2.gz HFRXXMZUUDTQAY-NSHDSACASA-N 1 0 320.349 0.535 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000071310510 396112860 /nfs/dbraw/zinc/11/28/60/396112860.db2.gz VOQBNBWTWWYHSB-JTQLQIEISA-N 1 0 315.351 0.586 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)C1 ZINC000262298770 396119406 /nfs/dbraw/zinc/11/94/06/396119406.db2.gz ZSFNQRVYDHRAIP-SNVBAGLBSA-N 1 0 301.306 0.954 20 5 DCBDRO O=C(C[C@H]1COCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262333246 396125662 /nfs/dbraw/zinc/12/56/62/396125662.db2.gz DWGROQMHXKSLCW-ZDUSSCGKSA-N 1 0 305.334 0.858 20 5 DCBDRO C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C[NH3+])C1 ZINC000261875964 396074859 /nfs/dbraw/zinc/07/48/59/396074859.db2.gz SUUGAHOGSXDLPZ-JQWIXIFHSA-N 1 0 308.338 0.342 20 5 DCBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000177031663 396164817 /nfs/dbraw/zinc/16/48/17/396164817.db2.gz AVBRUBAQEAGJNH-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO COC(=O)[C@]1(C)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177465434 396176851 /nfs/dbraw/zinc/17/68/51/396176851.db2.gz BSLZUQSPYUSFLY-WCQYABFASA-N 1 0 312.326 0.037 20 5 DCBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075749084 396186627 /nfs/dbraw/zinc/18/66/27/396186627.db2.gz CZVSPKSRGVHIHU-SCVCMEIPSA-N 1 0 300.384 0.978 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000076177566 396197297 /nfs/dbraw/zinc/19/72/97/396197297.db2.gz CJTPMVLUFQJYCG-ZDUSSCGKSA-N 1 0 310.354 0.655 20 5 DCBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000280492330 396204367 /nfs/dbraw/zinc/20/43/67/396204367.db2.gz BITMGGWSMIMBER-BXKDBHETSA-N 1 0 321.333 0.935 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000183951657 396279157 /nfs/dbraw/zinc/27/91/57/396279157.db2.gz MUUDMIHAYHXQBB-UHFFFAOYSA-N 1 0 311.338 0.647 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000264432103 396279430 /nfs/dbraw/zinc/27/94/30/396279430.db2.gz AUAGKBNILLGOPV-GFCCVEGCSA-N 1 0 323.349 0.811 20 5 DCBDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000280722218 396216348 /nfs/dbraw/zinc/21/63/48/396216348.db2.gz KGLDDILZWOUJKL-CQSZACIVSA-N 1 0 306.322 0.391 20 5 DCBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000083244453 396314724 /nfs/dbraw/zinc/31/47/24/396314724.db2.gz DANPXCVDDVOZLS-INIZCTEOSA-N 1 0 323.393 0.762 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184384884 396293472 /nfs/dbraw/zinc/29/34/72/396293472.db2.gz WNUHRHANVPJCIS-NSHDSACASA-N 1 0 321.381 0.543 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000184845328 396308667 /nfs/dbraw/zinc/30/86/67/396308667.db2.gz CSSGFZJNQMBAFM-RYUDHWBXSA-N 1 0 320.349 0.827 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265371061 396310928 /nfs/dbraw/zinc/31/09/28/396310928.db2.gz HWUVVTOVIVQLMH-UHFFFAOYSA-N 1 0 324.337 0.228 20 5 DCBDRO O=C(c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](CC2CC2)CC1 ZINC000186975937 396361386 /nfs/dbraw/zinc/36/13/86/396361386.db2.gz FBJPSRFDYLYXKX-UHFFFAOYSA-N 1 0 306.322 0.863 20 5 DCBDRO CN(C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000269147661 396389488 /nfs/dbraw/zinc/38/94/88/396389488.db2.gz HTEXCOWPDDUSOL-ZDUSSCGKSA-N 1 0 320.349 0.535 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000269265255 396402183 /nfs/dbraw/zinc/40/21/83/396402183.db2.gz KKNXQACKLRFBSZ-CABZTGNLSA-N 1 0 309.370 0.994 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000191233011 396417389 /nfs/dbraw/zinc/41/73/89/396417389.db2.gz ZPHNVGWSRXTIKF-CHWSQXEVSA-N 1 0 324.381 0.143 20 5 DCBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000288423968 396446653 /nfs/dbraw/zinc/44/66/53/396446653.db2.gz NXQUNSPWKOTDAL-RYUDHWBXSA-N 1 0 307.354 0.877 20 5 DCBDRO O=C([C@H]1C[NH2+]CCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000188107252 396379060 /nfs/dbraw/zinc/37/90/60/396379060.db2.gz UKBYMDQFHHVBPZ-CQSZACIVSA-N 1 0 320.349 0.232 20 5 DCBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000288423956 396446932 /nfs/dbraw/zinc/44/69/32/396446932.db2.gz NXQUNSPWKOTDAL-NEPJUHHUSA-N 1 0 307.354 0.877 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000193296059 396448312 /nfs/dbraw/zinc/44/83/12/396448312.db2.gz JOMYUBQBFGKSNS-UHFFFAOYSA-N 1 0 321.330 0.758 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595223846 396566122 /nfs/dbraw/zinc/56/61/22/396566122.db2.gz BVKGNEDHHXBAAW-NWDGAFQWSA-N 1 0 322.369 0.567 20 5 DCBDRO CC(C)OC[C@H]([NH3+])C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595252094 396571693 /nfs/dbraw/zinc/57/16/93/396571693.db2.gz CJJPPXFRYDNWMY-ZDUSSCGKSA-N 1 0 311.338 0.842 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000581883753 396590641 /nfs/dbraw/zinc/59/06/41/396590641.db2.gz XNVTYJSMPNQDSS-UHFFFAOYSA-N 1 0 318.337 0.857 20 5 DCBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1[N+](=O)[O-] ZINC000560508560 396618654 /nfs/dbraw/zinc/61/86/54/396618654.db2.gz MFORAKTULLAXNJ-OAHLLOKOSA-N 1 0 305.334 0.781 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000584780222 396622747 /nfs/dbraw/zinc/62/27/47/396622747.db2.gz DYPPWRXGCRRXJT-OCCSQVGLSA-N 1 0 322.365 0.902 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](C2CC2)C2(CO)CCC2)c1 ZINC000595532739 396625947 /nfs/dbraw/zinc/62/59/47/396625947.db2.gz ACGZGMOUOGGCLW-ZDUSSCGKSA-N 1 0 310.354 0.532 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N(C)CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000595933110 396686214 /nfs/dbraw/zinc/68/62/14/396686214.db2.gz GXLUDIQHQKNLLF-UHFFFAOYSA-N 1 0 322.365 0.829 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCCN2C2CC2)c1 ZINC000563003880 396692089 /nfs/dbraw/zinc/69/20/89/396692089.db2.gz XYULCVGTCAJOPO-HIFRSBDPSA-N 1 0 323.397 0.759 20 5 DCBDRO COc1cc(OCC(=O)NCC23CC(C2)C[NH2+]3)ccc1[N+](=O)[O-] ZINC000595951281 396692565 /nfs/dbraw/zinc/69/25/65/396692565.db2.gz PFKKZLLUHRYHRW-UHFFFAOYSA-N 1 0 321.333 0.850 20 5 DCBDRO CCc1cnccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563013309 396693275 /nfs/dbraw/zinc/69/32/75/396693275.db2.gz IHDKMCXXEGSCOC-CQSZACIVSA-N 1 0 305.338 0.899 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863556 396695757 /nfs/dbraw/zinc/69/57/57/396695757.db2.gz QBRACHCNBULZLO-KBPBESRZSA-N 1 0 305.334 0.876 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000588864761 396697081 /nfs/dbraw/zinc/69/70/81/396697081.db2.gz QPDYJMLFJHXQSC-QMMMGPOBSA-N 1 0 301.730 0.901 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000588866142 396697314 /nfs/dbraw/zinc/69/73/14/396697314.db2.gz BTZXRNSPHOKSGN-QMMMGPOBSA-N 1 0 307.310 0.123 20 5 DCBDRO COCC[N@@H+]1CCC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000589571163 396718512 /nfs/dbraw/zinc/71/85/12/396718512.db2.gz YVBLUOVPJDIABU-JTQLQIEISA-N 1 0 323.353 0.611 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596128864 396721406 /nfs/dbraw/zinc/72/14/06/396721406.db2.gz PDECMVILFOZUNF-AWEZNQCLSA-N 1 0 306.322 0.710 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)C1 ZINC000596129261 396722402 /nfs/dbraw/zinc/72/24/02/396722402.db2.gz SEKDWEZJPYPGAZ-GFCCVEGCSA-N 1 0 321.381 0.912 20 5 DCBDRO C[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000596542241 396792707 /nfs/dbraw/zinc/79/27/07/396792707.db2.gz OMPFAIMJFKSLKC-BPNCWPANSA-N 1 0 322.365 0.972 20 5 DCBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CCN2CCOCC2)cc1 ZINC000304741020 396732993 /nfs/dbraw/zinc/73/29/93/396732993.db2.gz UDBIJKZGOXDGNT-UHFFFAOYSA-N 1 0 309.366 0.721 20 5 DCBDRO C[C@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000596224276 396735706 /nfs/dbraw/zinc/73/57/06/396735706.db2.gz YOTKKUMITIQINE-JTQLQIEISA-N 1 0 310.354 0.977 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000316674404 396796064 /nfs/dbraw/zinc/79/60/64/396796064.db2.gz VZNOIIHFSVNNHD-MFKMUULPSA-N 1 0 308.338 0.581 20 5 DCBDRO C[C@@H](CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596428627 396771799 /nfs/dbraw/zinc/77/17/99/396771799.db2.gz FVMZWWCORXRKOJ-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611242274 396844109 /nfs/dbraw/zinc/84/41/09/396844109.db2.gz TYMFEXAGRCOCRT-LBPRGKRZSA-N 1 0 319.365 0.908 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600532869 396885286 /nfs/dbraw/zinc/88/52/86/396885286.db2.gz OWDXRLCTHTZNOE-GFCCVEGCSA-N 1 0 309.322 0.156 20 5 DCBDRO CC(C)CC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600759111 396939477 /nfs/dbraw/zinc/93/94/77/396939477.db2.gz ZEJAYTJTSDZRCR-WCQYABFASA-N 1 0 300.359 0.539 20 5 DCBDRO CCc1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000377593229 397108100 /nfs/dbraw/zinc/10/81/00/397108100.db2.gz MJCXTRYGUJTCBQ-UWVGGRQHSA-N 1 0 323.353 0.473 20 5 DCBDRO Cc1nn(CCC(=O)N2CCC3(C[NH+](C)C3)C2)c(C)c1[N+](=O)[O-] ZINC000618920865 397042806 /nfs/dbraw/zinc/04/28/06/397042806.db2.gz CUVBDKLJPDFWHN-UHFFFAOYSA-N 1 0 321.381 0.962 20 5 DCBDRO C[NH+](C)CCCS(=O)(=O)NCc1ccccc1[N+](=O)[O-] ZINC000601308833 397049335 /nfs/dbraw/zinc/04/93/35/397049335.db2.gz FBPLUAJBUNQISS-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198311 397123194 /nfs/dbraw/zinc/12/31/94/397123194.db2.gz NMSOAYAYHGYWLJ-GXTWGEPZSA-N 1 0 308.334 0.993 20 5 DCBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000592286699 397141597 /nfs/dbraw/zinc/14/15/97/397141597.db2.gz IZPFCKHVPVUVCG-SNVBAGLBSA-N 1 0 319.321 0.767 20 5 DCBDRO COC(=O)c1cc(C(=O)NCC[NH2+]C2CC2)cc([N+](=O)[O-])c1 ZINC000592295544 397144538 /nfs/dbraw/zinc/14/45/38/397144538.db2.gz WTCYGSXZBKIAJS-UHFFFAOYSA-N 1 0 307.306 0.863 20 5 DCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000592442449 397179504 /nfs/dbraw/zinc/17/95/04/397179504.db2.gz PRQSEPNARLLZDO-GHMZBOCLSA-N 1 0 322.365 0.496 20 5 DCBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592383789 397164732 /nfs/dbraw/zinc/16/47/32/397164732.db2.gz FRBUNWOUELBJJT-SECBINFHSA-N 1 0 317.367 0.880 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000592431367 397175125 /nfs/dbraw/zinc/17/51/25/397175125.db2.gz XPXKADYIAFWSGR-XVYDVKMFSA-N 1 0 312.248 0.054 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000572986534 397121680 /nfs/dbraw/zinc/12/16/80/397121680.db2.gz KUMGOQHEONVLRK-UHFFFAOYSA-N 1 0 310.310 0.349 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000592468980 397184564 /nfs/dbraw/zinc/18/45/64/397184564.db2.gz SNXFLBNUVUNGIB-UHFFFAOYSA-N 1 0 322.365 0.337 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475155 397187121 /nfs/dbraw/zinc/18/71/21/397187121.db2.gz WKIXYVJXWBASMV-FZMZJTMJSA-N 1 0 322.365 0.971 20 5 DCBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000592485404 397189021 /nfs/dbraw/zinc/18/90/21/397189021.db2.gz OHTSHKSSTUEKNQ-RTXFEEFZSA-N 1 0 317.349 0.389 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000592547223 397207868 /nfs/dbraw/zinc/20/78/68/397207868.db2.gz UAATXJNKEYGWAP-IUCAKERBSA-N 1 0 310.310 0.256 20 5 DCBDRO CN1CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)[C@H](C[NH3+])C1 ZINC000573962930 397222825 /nfs/dbraw/zinc/22/28/25/397222825.db2.gz PDPWETPTZBWGED-SNVBAGLBSA-N 1 0 318.337 0.186 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000389931323 397299245 /nfs/dbraw/zinc/29/92/45/397299245.db2.gz WBXAZYAZVPNTJP-NSHDSACASA-N 1 0 307.354 0.053 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCC1 ZINC000598899133 397304558 /nfs/dbraw/zinc/30/45/58/397304558.db2.gz HUVMPXRMAKHHOH-UHFFFAOYSA-N 1 0 321.337 0.538 20 5 DCBDRO C[C@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])C[NH+](C)C ZINC000598627289 397263819 /nfs/dbraw/zinc/26/38/19/397263819.db2.gz KKDDLRYPEUVZMP-LLVKDONJSA-N 1 0 324.385 0.831 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000599110988 397341450 /nfs/dbraw/zinc/34/14/50/397341450.db2.gz IQPOLTXRWPJKRH-UHFFFAOYSA-N 1 0 317.367 0.499 20 5 DCBDRO C[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1CC[NH3+] ZINC000593917655 397479795 /nfs/dbraw/zinc/47/97/95/397479795.db2.gz XHJKNVFJRVINOI-AAEUAGOBSA-N 1 0 322.365 0.732 20 5 DCBDRO CCOCC[NH+]1CCN(CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602777941 397482587 /nfs/dbraw/zinc/48/25/87/397482587.db2.gz WTJKMLIGFMBLPD-UHFFFAOYSA-N 1 0 311.386 0.754 20 5 DCBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C2 ZINC000593926802 397483024 /nfs/dbraw/zinc/48/30/24/397483024.db2.gz PCLKUZABJDZNAO-XPTSAGLGSA-N 1 0 306.322 0.896 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000600000431 397559926 /nfs/dbraw/zinc/55/99/26/397559926.db2.gz WHBBKBGAGLGRCN-YABSGUDNSA-N 1 0 307.354 0.508 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000599903327 397537494 /nfs/dbraw/zinc/53/74/94/397537494.db2.gz AARHIEBQNHHSDE-MRVPVSSYSA-N 1 0 308.294 0.020 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599907439 397538764 /nfs/dbraw/zinc/53/87/64/397538764.db2.gz PAWVQBIAEFZHAL-LLVKDONJSA-N 1 0 324.337 0.391 20 5 DCBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@@H]1CC[NH2+]C1 ZINC000599920280 397541005 /nfs/dbraw/zinc/54/10/05/397541005.db2.gz ZZAXIXUREGJOKE-MRVPVSSYSA-N 1 0 304.310 0.632 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000123149231 158227098 /nfs/dbraw/zinc/22/70/98/158227098.db2.gz KNFRQQJEGQRERX-QMMMGPOBSA-N 1 0 301.324 0.244 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126854459 158269141 /nfs/dbraw/zinc/26/91/41/158269141.db2.gz CJXAGRIUUDLOLM-UHFFFAOYSA-N 1 0 321.330 0.248 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261595900 158721364 /nfs/dbraw/zinc/72/13/64/158721364.db2.gz ISDXAFQTRKFZQZ-PSASIEDQSA-N 1 0 315.351 0.571 20 5 DCBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C[NH+]1CCN(C)CC1 ZINC000330558526 159193075 /nfs/dbraw/zinc/19/30/75/159193075.db2.gz XGCOZTCORZZEDT-NSHDSACASA-N 1 0 309.370 0.536 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000408370123 160093873 /nfs/dbraw/zinc/09/38/73/160093873.db2.gz HFPWTCYCZPHIOK-MNOVXSKESA-N 1 0 307.354 0.977 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000126350876 286971212 /nfs/dbraw/zinc/97/12/12/286971212.db2.gz DLUDBAXXSJGXIA-NXEZZACHSA-N 1 0 322.321 0.271 20 5 DCBDRO CCCC[N@H+](C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151304031 287032611 /nfs/dbraw/zinc/03/26/11/287032611.db2.gz SXZWQJUBIAIDRX-UHFFFAOYSA-N 1 0 312.374 0.822 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418389571 287246919 /nfs/dbraw/zinc/24/69/19/287246919.db2.gz UBATVXCLMFYVDU-NSHDSACASA-N 1 0 306.322 0.861 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419046755 287263801 /nfs/dbraw/zinc/26/38/01/287263801.db2.gz YZWZZYNHSGAQGO-GFCCVEGCSA-N 1 0 322.365 0.353 20 5 DCBDRO O=[N+]([O-])c1ccc(OCCN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352504910 415196432 /nfs/dbraw/zinc/19/64/32/415196432.db2.gz WAGHTSLBAFQSIQ-OAHLLOKOSA-N 1 0 320.393 0.953 20 5 DCBDRO COC[C@@H]1CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000342741282 415277029 /nfs/dbraw/zinc/27/70/29/415277029.db2.gz NABYZXZTGSMLSP-OCCSQVGLSA-N 1 0 312.370 0.901 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332082921 415232174 /nfs/dbraw/zinc/23/21/74/415232174.db2.gz ATXJMXKMUYDGGM-GFCCVEGCSA-N 1 0 309.370 0.482 20 5 DCBDRO COC[C@](C)([NH3+])CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273533423 415321681 /nfs/dbraw/zinc/32/16/81/415321681.db2.gz ZNIJXOGBOFQHNF-LLVKDONJSA-N 1 0 318.355 0.018 20 5 DCBDRO CS(=O)(=O)c1cc(C(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000353090738 415433352 /nfs/dbraw/zinc/43/33/52/415433352.db2.gz UBVWNORJAFYTFK-UHFFFAOYSA-N 1 0 313.335 0.044 20 5 DCBDRO NC(=O)C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551483 415530316 /nfs/dbraw/zinc/53/03/16/415530316.db2.gz OWAWJGQPWQPTRI-NSHDSACASA-N 1 0 308.338 0.344 20 5 DCBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000288864650 415696726 /nfs/dbraw/zinc/69/67/26/415696726.db2.gz LGTNCTGVRMVDID-NSHDSACASA-N 1 0 324.385 0.871 20 5 DCBDRO C[NH+](C)CCn1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000354133096 415764065 /nfs/dbraw/zinc/76/40/65/415764065.db2.gz ZZNGGHONQOPFKM-UHFFFAOYSA-N 1 0 317.349 1.534 20 5 DCBDRO C[C@]1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO[C@@H]1C1CC1 ZINC000344333143 415889150 /nfs/dbraw/zinc/88/91/50/415889150.db2.gz FNRAHZYLQHYHKS-MJBXVCDLSA-N 1 0 310.354 0.699 20 5 DCBDRO CC[NH+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000344424679 415913043 /nfs/dbraw/zinc/91/30/43/415913043.db2.gz MSTOKTPLYJRHND-VXGBXAGGSA-N 1 0 322.365 0.698 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCNc1cc[nH+]cc1 ZINC000344691804 415972906 /nfs/dbraw/zinc/97/29/06/415972906.db2.gz PVCQESBIZODSLA-UHFFFAOYSA-N 1 0 304.310 0.145 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000153494647 415982385 /nfs/dbraw/zinc/98/23/85/415982385.db2.gz LQAPUFHPBOPWIL-OAHLLOKOSA-N 1 0 309.366 0.956 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncccc2[N+](=O)[O-])C1 ZINC000301201690 416077717 /nfs/dbraw/zinc/07/77/17/416077717.db2.gz WUWUZEKJJJVNOS-LLVKDONJSA-N 1 0 307.354 0.989 20 5 DCBDRO CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000170791871 416031678 /nfs/dbraw/zinc/03/16/78/416031678.db2.gz RIWRXDOIJOKIJI-JTQLQIEISA-N 1 0 308.338 0.990 20 5 DCBDRO CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@@H]1CC[NH2+]C1 ZINC000179103685 416183120 /nfs/dbraw/zinc/18/31/20/416183120.db2.gz LAUZQBRMJYVIQQ-GFCCVEGCSA-N 1 0 316.321 0.609 20 5 DCBDRO Cc1nn(CCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000186794781 416258139 /nfs/dbraw/zinc/25/81/39/416258139.db2.gz NIJDZUFLRWRNMM-JOYOIKCWSA-N 1 0 309.370 0.912 20 5 DCBDRO COC(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000191858506 416291327 /nfs/dbraw/zinc/29/13/27/416291327.db2.gz CGNPGLNJSXIPLR-AAEUAGOBSA-N 1 0 323.349 0.888 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415509488 416345845 /nfs/dbraw/zinc/34/58/45/416345845.db2.gz HRJOQRRLJUJOJN-ZETCQYMHSA-N 1 0 314.729 0.898 20 5 DCBDRO Cc1c(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000415677554 416351066 /nfs/dbraw/zinc/35/10/66/416351066.db2.gz UXNXMTGULVARDQ-PHIMTYICSA-N 1 0 318.333 0.520 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000415795393 416354217 /nfs/dbraw/zinc/35/42/17/416354217.db2.gz YEOBWNCLWXMDEJ-UHFFFAOYSA-N 1 0 322.321 0.490 20 5 DCBDRO C[NH+](C)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1O ZINC000359965991 416367337 /nfs/dbraw/zinc/36/73/37/416367337.db2.gz ILDOJNMEIMUTJS-VXGBXAGGSA-N 1 0 303.322 0.649 20 5 DCBDRO COc1cccc(C(=O)NCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000583498682 416467859 /nfs/dbraw/zinc/46/78/59/416467859.db2.gz JUFFURDOGWYOQQ-UHFFFAOYSA-N 1 0 308.338 0.238 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423634518 416532584 /nfs/dbraw/zinc/53/25/84/416532584.db2.gz QPMJZJQGYBMZCZ-NSHDSACASA-N 1 0 322.365 0.769 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000423669362 416535661 /nfs/dbraw/zinc/53/56/61/416535661.db2.gz LVASGIDFYHLPDI-LBPRGKRZSA-N 1 0 320.349 0.503 20 5 DCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000436054535 416545850 /nfs/dbraw/zinc/54/58/50/416545850.db2.gz HQKXJRDBWALGBH-LBPRGKRZSA-N 1 0 324.385 0.111 20 5 DCBDRO CNc1nccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000594344906 416560209 /nfs/dbraw/zinc/56/02/09/416560209.db2.gz IYPMPPYIQSXTGI-LBPRGKRZSA-N 1 0 321.381 1.444 20 5 DCBDRO CC(C)(O)C[NH+]1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000362104782 416564640 /nfs/dbraw/zinc/56/46/40/416564640.db2.gz DCYYMRBDPJZLSP-UHFFFAOYSA-N 1 0 324.337 0.224 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423993987 416601959 /nfs/dbraw/zinc/60/19/59/416601959.db2.gz RMNFHZGDVANLTD-JTQLQIEISA-N 1 0 316.317 0.861 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)C[NH3+] ZINC000441597597 416675820 /nfs/dbraw/zinc/67/58/20/416675820.db2.gz KLHLYRCGKZXEEZ-WPRPVWTQSA-N 1 0 312.374 0.538 20 5 DCBDRO COCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000425275824 416689081 /nfs/dbraw/zinc/68/90/81/416689081.db2.gz FVAJXBCWIQDUCA-UHFFFAOYSA-N 1 0 310.358 0.514 20 5 DCBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(CO)COC2)n1 ZINC000517215502 416785439 /nfs/dbraw/zinc/78/54/39/416785439.db2.gz PFIYTFXHTOGMGS-RYUDHWBXSA-N 1 0 310.354 0.874 20 5 DCBDRO O=C(CC[N@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284126 416807908 /nfs/dbraw/zinc/80/79/08/416807908.db2.gz YJYDUCHAJXTFIQ-SMDDNHRTSA-N 1 0 323.349 0.599 20 5 DCBDRO [NH3+]C[C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000429075209 287333871 /nfs/dbraw/zinc/33/38/71/287333871.db2.gz QLSLRFCADSLZRI-SNVBAGLBSA-N 1 0 321.333 0.716 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000428135852 416877702 /nfs/dbraw/zinc/87/77/02/416877702.db2.gz RVCQFVFRDDIYFX-GHMZBOCLSA-N 1 0 324.385 0.695 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428434732 416896098 /nfs/dbraw/zinc/89/60/98/416896098.db2.gz AZFIFAUYTWHZFG-MNOVXSKESA-N 1 0 324.385 0.648 20 5 DCBDRO O=C(C[C@@H]1C[NH2+]CCO1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429718221 416992538 /nfs/dbraw/zinc/99/25/38/416992538.db2.gz JGYBTFGVGNKVHW-CYBMUJFWSA-N 1 0 308.338 0.501 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000525292371 417135837 /nfs/dbraw/zinc/13/58/37/417135837.db2.gz NUHIIXVTRIPKPN-NSHDSACASA-N 1 0 309.370 0.948 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000449521584 417150293 /nfs/dbraw/zinc/15/02/93/417150293.db2.gz IPYCVIUXICPESY-TXEJJXNPSA-N 1 0 319.317 0.698 20 5 DCBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000525804193 417152031 /nfs/dbraw/zinc/15/20/31/417152031.db2.gz LROCQNOPEVTFDA-LLVKDONJSA-N 1 0 308.338 0.215 20 5 DCBDRO C[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000568981381 417200354 /nfs/dbraw/zinc/20/03/54/417200354.db2.gz RSOBCJJQEXRFET-AAEUAGOBSA-N 1 0 310.354 0.796 20 5 DCBDRO CS(=O)(=O)C[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000433077673 417226630 /nfs/dbraw/zinc/22/66/30/417226630.db2.gz SMAZEPNVHLUNEM-LLVKDONJSA-N 1 0 316.383 0.548 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000415299968 417361528 /nfs/dbraw/zinc/36/15/28/417361528.db2.gz NNPZTWOOTFIHOO-NSHDSACASA-N 1 0 320.349 0.970 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000415316459 417365863 /nfs/dbraw/zinc/36/58/63/417365863.db2.gz JRDWEOCNEMCAON-UHFFFAOYSA-N 1 0 320.349 0.972 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000415344220 417368490 /nfs/dbraw/zinc/36/84/90/417368490.db2.gz NBXAJXNMGMTIMD-JTQLQIEISA-N 1 0 306.322 0.662 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000570663713 417377916 /nfs/dbraw/zinc/37/79/16/417377916.db2.gz SIMDXVQCSQVVDL-LLVKDONJSA-N 1 0 323.353 0.710 20 5 DCBDRO CNc1nc(C(=O)NCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000454420946 417559638 /nfs/dbraw/zinc/55/96/38/417559638.db2.gz JUAWEJYUTUTQRA-UHFFFAOYSA-N 1 0 322.369 0.009 20 5 DCBDRO O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)Nc1ccncc1[N+](=O)[O-] ZINC000455046841 417592549 /nfs/dbraw/zinc/59/25/49/417592549.db2.gz TUTFTHMCYWSIFP-PHIMTYICSA-N 1 0 321.337 0.396 20 5 DCBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000576050731 417576366 /nfs/dbraw/zinc/57/63/66/417576366.db2.gz QNDVLGQPCGJEAC-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DCBDRO O=C([C@H]1CCCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320237335 261177229 /nfs/dbraw/zinc/17/72/29/261177229.db2.gz NOOFIJZVYSDHIP-CYBMUJFWSA-N 1 0 319.365 0.781 20 5 DCBDRO CC[N@H+](CCO)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355607276 261352793 /nfs/dbraw/zinc/35/27/93/261352793.db2.gz NRXHTMJZEBWFCV-UHFFFAOYSA-N 1 0 312.322 0.961 20 5 DCBDRO C[C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000362553542 262046645 /nfs/dbraw/zinc/04/66/45/262046645.db2.gz VMEKYKBIWVTEFZ-JTQLQIEISA-N 1 0 323.349 0.975 20 5 DCBDRO [NH3+]CC[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000394800538 262162764 /nfs/dbraw/zinc/16/27/64/262162764.db2.gz SWJVOMSITMIRMT-SECBINFHSA-N 1 0 309.294 0.856 20 5 DCBDRO CC[NH2+]CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418079965 262269378 /nfs/dbraw/zinc/26/93/78/262269378.db2.gz BDZRWPURGQXLNJ-UHFFFAOYSA-N 1 0 306.326 0.880 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000420267704 262368319 /nfs/dbraw/zinc/36/83/19/262368319.db2.gz HASBHBITWCXNKW-JTQLQIEISA-N 1 0 323.353 0.482 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCO[C@H](C[NH3+])C1 ZINC000420394515 262373136 /nfs/dbraw/zinc/37/31/36/262373136.db2.gz RUOOIYOJBSBJEE-CYBMUJFWSA-N 1 0 322.365 0.891 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000420402436 262373863 /nfs/dbraw/zinc/37/38/63/262373863.db2.gz IVKPIZDAORUTQD-LBPRGKRZSA-N 1 0 313.379 0.809 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419043494 271269752 /nfs/dbraw/zinc/26/97/52/271269752.db2.gz RGKQYYQYDJWBDK-LLVKDONJSA-N 1 0 322.365 0.368 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419267634 271280344 /nfs/dbraw/zinc/28/03/44/271280344.db2.gz JGOPCNJLDWYTOK-ZYHUDNBSSA-N 1 0 320.349 0.559 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419266179 271280495 /nfs/dbraw/zinc/28/04/95/271280495.db2.gz GROJNBLIDXKBBA-QWRGUYRKSA-N 1 0 322.365 0.805 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000419270360 271281688 /nfs/dbraw/zinc/28/16/88/271281688.db2.gz NHLWREZKFHTCFI-WDEREUQCSA-N 1 0 322.365 0.934 20 5 DCBDRO [NH3+]CCCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420432060 271368795 /nfs/dbraw/zinc/36/87/95/271368795.db2.gz XSWMPNYEVWTPJE-UHFFFAOYSA-N 1 0 301.368 0.796 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000420445990 271371536 /nfs/dbraw/zinc/37/15/36/271371536.db2.gz NQTQZDMMVSTCGS-JTQLQIEISA-N 1 0 321.305 0.870 20 5 DCBDRO [NH3+]CCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422711484 271378777 /nfs/dbraw/zinc/37/87/77/271378777.db2.gz MSZQONHSEKUQIS-UHFFFAOYSA-N 1 0 308.338 0.510 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC(C)(C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000424049766 271395002 /nfs/dbraw/zinc/39/50/02/271395002.db2.gz YTKCXWYCDSJQGG-UHFFFAOYSA-N 1 0 322.365 0.877 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429216863 271452441 /nfs/dbraw/zinc/45/24/41/271452441.db2.gz DWARZUHLOOXDBS-SECBINFHSA-N 1 0 309.322 0.951 20 5 DCBDRO CC(C)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1C ZINC000487074037 272037004 /nfs/dbraw/zinc/03/70/04/272037004.db2.gz AOCRXDQAOGQFTQ-LBPRGKRZSA-N 1 0 307.354 0.865 20 5 DCBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000493487478 272192019 /nfs/dbraw/zinc/19/20/19/272192019.db2.gz NWUKIBIWXWNBEO-XVQPDXDWSA-N 1 0 321.308 0.946 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000514722424 272405130 /nfs/dbraw/zinc/40/51/30/272405130.db2.gz RHPCMJTXEGNUBT-NSHDSACASA-N 1 0 322.369 0.416 20 5 DCBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000519759128 287681067 /nfs/dbraw/zinc/68/10/67/287681067.db2.gz JEPJYXJVSYBQPI-LOWVWBTDSA-N 1 0 324.333 0.876 20 5 DCBDRO COC(C)(C)C[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000519764306 287681418 /nfs/dbraw/zinc/68/14/18/287681418.db2.gz WEQSNRPITBFYJL-JQWIXIFHSA-N 1 0 300.359 0.945 20 5 DCBDRO C[NH+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000128424632 276791026 /nfs/dbraw/zinc/79/10/26/276791026.db2.gz ZTFXRFZIMSVTFC-UHFFFAOYSA-N 1 0 322.365 0.723 20 5 DCBDRO C[C@@H](C[NH+](C)C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000286516133 278240005 /nfs/dbraw/zinc/24/00/05/278240005.db2.gz TXUVGNZGGOSTCR-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000441615882 278245129 /nfs/dbraw/zinc/24/51/29/278245129.db2.gz SJMUXGWSORLULL-UWVGGRQHSA-N 1 0 324.337 0.503 20 5 DCBDRO [NH3+]CC[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000565595504 288864957 /nfs/dbraw/zinc/86/49/57/288864957.db2.gz ACYZZNKRJCTLOC-JTQLQIEISA-N 1 0 314.367 0.739 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000584300936 332228874 /nfs/dbraw/zinc/22/88/74/332228874.db2.gz FKSSRCSNPKRWMJ-UHFFFAOYSA-N 1 0 322.369 0.521 20 5 DCBDRO Cc1nc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000580182933 332989750 /nfs/dbraw/zinc/98/97/50/332989750.db2.gz LVQWVQRGZNXBHR-GFCCVEGCSA-N 1 0 309.326 0.589 20 5 DCBDRO CC1(C)C[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000582721029 337124961 /nfs/dbraw/zinc/12/49/61/337124961.db2.gz RIERNVOTXKRXQO-WCQYABFASA-N 1 0 312.370 0.947 20 5 DCBDRO Cc1cc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000584670831 337381450 /nfs/dbraw/zinc/38/14/50/337381450.db2.gz SUHNATNCBONHFE-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331426969 534240311 /nfs/dbraw/zinc/24/03/11/534240311.db2.gz SOKVFOZUKRZNBX-MNOVXSKESA-N 1 0 308.342 0.272 20 5 DCBDRO CN(CC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000153488740 521856945 /nfs/dbraw/zinc/85/69/45/521856945.db2.gz AANUBZVGOXKRMT-HNNXBMFYSA-N 1 0 324.381 0.460 20 5 DCBDRO COc1cc(CCNC(=O)[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000262056254 522333461 /nfs/dbraw/zinc/33/34/61/522333461.db2.gz HZJLAUDYEATOPJ-VIFPVBQESA-N 1 0 311.338 0.866 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237581904 524307870 /nfs/dbraw/zinc/30/78/70/524307870.db2.gz SRLHANPYOPJKMN-SECBINFHSA-N 1 0 304.310 0.500 20 5 DCBDRO [NH3+]C[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000269186965 527226317 /nfs/dbraw/zinc/22/63/17/527226317.db2.gz CQRNBDMVCCWFOG-ZDUSSCGKSA-N 1 0 320.349 0.568 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(C2OCCO2)CC1 ZINC000131725694 527487427 /nfs/dbraw/zinc/48/74/27/527487427.db2.gz LKPAGIGTLGHWSZ-UHFFFAOYSA-N 1 0 323.349 0.841 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298088090 535876240 /nfs/dbraw/zinc/87/62/40/535876240.db2.gz HWQUCYKODCETGB-UHFFFAOYSA-N 1 0 320.393 0.843 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284532042 535972677 /nfs/dbraw/zinc/97/26/77/535972677.db2.gz WTNIPQRDHVQYDY-CYBMUJFWSA-N 1 0 314.317 0.359 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000892489985 658718993 /nfs/dbraw/zinc/71/89/93/658718993.db2.gz LMCCAXVISRIRRW-NSHDSACASA-N 1 0 308.386 0.909 20 5 DCBDRO COc1ccnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001022063679 658814165 /nfs/dbraw/zinc/81/41/65/658814165.db2.gz GOTQJZBFGYJOKI-RDBQEKCUSA-N 1 0 320.349 0.492 20 5 DCBDRO CCn1cc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001022063925 658817120 /nfs/dbraw/zinc/81/71/20/658817120.db2.gz PIHTYLDQOPAZTL-XJFOESAGSA-N 1 0 321.381 0.348 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000841195795 661950991 /nfs/dbraw/zinc/95/09/91/661950991.db2.gz DCSYMCBAMHXTET-SSDOTTSWSA-N 1 0 312.301 0.692 20 5 DCBDRO Cc1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC000983652941 661998232 /nfs/dbraw/zinc/99/82/32/661998232.db2.gz FFHVJWYPTMMUAA-FMKGYKFTSA-N 1 0 319.365 0.435 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1C[N@H+](C)CCN1C ZINC000896575910 662294477 /nfs/dbraw/zinc/29/44/77/662294477.db2.gz DBWCXKGYBAPGSH-JQWIXIFHSA-N 1 0 309.370 0.297 20 5 DCBDRO COCC(=O)N1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000989830572 662981873 /nfs/dbraw/zinc/98/18/73/662981873.db2.gz JGGPAKASNFIYMU-UHFFFAOYSA-N 1 0 311.342 0.055 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000899736549 663184545 /nfs/dbraw/zinc/18/45/45/663184545.db2.gz JTSKHVXRFGWGHM-UHFFFAOYSA-N 1 0 309.366 0.913 20 5 DCBDRO O=C(C1CCCCC1)N1CCN(CC[NH2+]CC[N+](=O)[O-])CC1 ZINC000905114652 663532062 /nfs/dbraw/zinc/53/20/62/663532062.db2.gz QFRHAWARNYTFQF-UHFFFAOYSA-N 1 0 312.414 0.577 20 5 DCBDRO O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)N1CC[NH2+]CC1 ZINC000911648429 664097851 /nfs/dbraw/zinc/09/78/51/664097851.db2.gz JAPRSMZJZZIMEM-UHFFFAOYSA-N 1 0 315.333 0.885 20 5 DCBDRO CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000911879032 664118630 /nfs/dbraw/zinc/11/86/30/664118630.db2.gz KJBBNLHROZIIRB-SOUVJXGZSA-N 1 0 318.377 0.800 20 5 DCBDRO CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000911879031 664118709 /nfs/dbraw/zinc/11/87/09/664118709.db2.gz KJBBNLHROZIIRB-RRFJBIMHSA-N 1 0 318.377 0.800 20 5 DCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000912273569 664155623 /nfs/dbraw/zinc/15/56/23/664155623.db2.gz FRIAVYQMXUKUDJ-DOMZBBRYSA-N 1 0 305.334 0.837 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CSCCS2)c1 ZINC000229599882 664606525 /nfs/dbraw/zinc/60/65/25/664606525.db2.gz BVVQUPZJBWBWRW-GHMZBOCLSA-N 1 0 318.424 0.590 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000917789881 665144407 /nfs/dbraw/zinc/14/44/07/665144407.db2.gz XXSRGKDOOLYQGE-GFCCVEGCSA-N 1 0 308.338 0.977 20 5 DCBDRO CO[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000922616460 666496065 /nfs/dbraw/zinc/49/60/65/666496065.db2.gz XPXJLAGTVOFWQA-ZDUSSCGKSA-N 1 0 314.363 0.888 20 5 DCBDRO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000996428467 666790474 /nfs/dbraw/zinc/79/04/74/666790474.db2.gz FQQJDAKYIQUBOB-ZIAGYGMSSA-N 1 0 319.365 0.531 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996428864 666790709 /nfs/dbraw/zinc/79/07/09/666790709.db2.gz JOCTUVGIYVTTKM-ZIAGYGMSSA-N 1 0 322.340 0.967 20 5 DCBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000861344913 666920103 /nfs/dbraw/zinc/92/01/03/666920103.db2.gz VVOOCRLFQMILIE-DGCLKSJQSA-N 1 0 312.326 0.444 20 5 DCBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000861349316 666920340 /nfs/dbraw/zinc/92/03/40/666920340.db2.gz RXELYKCYTNANGA-NOZJJQNGSA-N 1 0 312.326 0.594 20 5 DCBDRO Cc1nn(C[N@@H+](C)[C@H]2C[C@@H](C(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000863322215 667128745 /nfs/dbraw/zinc/12/87/45/667128745.db2.gz BULNQOTYDHUQIQ-AOOOYVTPSA-N 1 0 318.337 0.801 20 5 DCBDRO CN1CC[NH+](C2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)CC1 ZINC000866213183 667368571 /nfs/dbraw/zinc/36/85/71/667368571.db2.gz NISDHRDZEILHDV-UHFFFAOYSA-N 1 0 320.397 0.788 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290405 667496739 /nfs/dbraw/zinc/49/67/39/667496739.db2.gz MVLKTVKXAJSEIQ-STQMWFEESA-N 1 0 309.366 0.876 20 5 DCBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC000923466306 667537840 /nfs/dbraw/zinc/53/78/40/667537840.db2.gz MRCYSWDWJQZMLC-LBPRGKRZSA-N 1 0 321.381 0.417 20 5 DCBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)Cn2ccnn2)c1 ZINC000839178962 667734974 /nfs/dbraw/zinc/73/49/74/667734974.db2.gz JMDWIXWLRFZKGL-NSHDSACASA-N 1 0 311.729 0.990 20 5 DCBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)(COCCO)CC1 ZINC000886734930 667792871 /nfs/dbraw/zinc/79/28/71/667792871.db2.gz TYPMIIVMOYMVTL-UHFFFAOYSA-N 1 0 310.350 0.931 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886830452 667804208 /nfs/dbraw/zinc/80/42/08/667804208.db2.gz RFPWXOBBMUXTPQ-MRVWCRGKSA-N 1 0 310.354 0.653 20 5 DCBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1cccnc1[N+](=O)[O-] ZINC000886837639 667804757 /nfs/dbraw/zinc/80/47/57/667804757.db2.gz KZVPCMMVSVZUOU-GFCCVEGCSA-N 1 0 302.338 0.870 20 5 DCBDRO NC(=O)C1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000746475029 667879411 /nfs/dbraw/zinc/87/94/11/667879411.db2.gz RCHDVMMBWGQEPD-LBPRGKRZSA-N 1 0 323.349 0.722 20 5 DCBDRO CC(C)(CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[N+](=O)[O-] ZINC000889751704 667989141 /nfs/dbraw/zinc/98/91/41/667989141.db2.gz RYFGEPAKMUAIPO-CHWSQXEVSA-N 1 0 313.398 0.880 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(C)c1[N+](=O)[O-] ZINC000877375698 668611552 /nfs/dbraw/zinc/61/15/52/668611552.db2.gz DOVCPCIOHVULOS-SWLSCSKDSA-N 1 0 321.381 0.866 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCCN3CCCO)C2)c1 ZINC000877559759 668628152 /nfs/dbraw/zinc/62/81/52/668628152.db2.gz VAPBSNMBSAPBTC-ROKHWSDSSA-N 1 0 323.397 0.931 20 5 DCBDRO C[C@@H]1CN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000778356408 668898501 /nfs/dbraw/zinc/89/85/01/668898501.db2.gz NLYUMSWQIBKVRF-DOMZBBRYSA-N 1 0 309.366 0.627 20 5 DCBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000879694031 669089311 /nfs/dbraw/zinc/08/93/11/669089311.db2.gz OABJZZHEDZLQNW-BETUJISGSA-N 1 0 310.350 0.896 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)n1 ZINC000879930876 669127221 /nfs/dbraw/zinc/12/72/21/669127221.db2.gz ILJNAHFTNYNVJU-GHMZBOCLSA-N 1 0 314.367 0.158 20 5 DCBDRO CC1([NH+]2CCC2)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000880473452 669215434 /nfs/dbraw/zinc/21/54/34/669215434.db2.gz ZUIPQURWEYJKHM-AWEZNQCLSA-N 1 0 323.397 0.712 20 5 DCBDRO CS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000786775173 669329350 /nfs/dbraw/zinc/32/93/50/669329350.db2.gz FILFJEZEGCFBST-AOOOYVTPSA-N 1 0 311.363 0.654 20 5 DCBDRO Cn1cc(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])n1 ZINC000934277056 669590814 /nfs/dbraw/zinc/59/08/14/669590814.db2.gz YEUZKZKGOQKBGN-OLZOCXBDSA-N 1 0 309.370 0.359 20 5 DCBDRO [NH3+]CCc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000818533660 671028850 /nfs/dbraw/zinc/02/88/50/671028850.db2.gz RVPJWUHDEIVKLV-UHFFFAOYSA-N 1 0 303.322 0.609 20 5 DCBDRO COCCN1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819040470 671087887 /nfs/dbraw/zinc/08/78/87/671087887.db2.gz YZBAWHGAPOJSJO-HIFRSBDPSA-N 1 0 309.366 0.939 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCS(=O)(=O)C2CC2)cc1 ZINC000819369449 671114673 /nfs/dbraw/zinc/11/46/73/671114673.db2.gz KEMDWMASFMQBCO-ZDUSSCGKSA-N 1 0 314.363 0.795 20 5 DCBDRO [NH3+]C[C@H]1CC(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)=NO1 ZINC000852838619 671170635 /nfs/dbraw/zinc/17/06/35/671170635.db2.gz LLMHQXOABXQVSM-LLVKDONJSA-N 1 0 308.294 0.193 20 5 DCBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000825743416 671471201 /nfs/dbraw/zinc/47/12/01/671471201.db2.gz WISFEHFHOGXZCF-OAHLLOKOSA-N 1 0 322.340 0.945 20 5 DCBDRO Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000834316126 671753871 /nfs/dbraw/zinc/75/38/71/671753871.db2.gz AQJNBWSOIRCXCA-BXKDBHETSA-N 1 0 308.338 0.674 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834452406 671761100 /nfs/dbraw/zinc/76/11/00/671761100.db2.gz IEZHZGWQUVGKIZ-LLVKDONJSA-N 1 0 322.365 0.899 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000841202336 671919604 /nfs/dbraw/zinc/91/96/04/671919604.db2.gz BRIJOPBZJOWUMA-ZETCQYMHSA-N 1 0 312.301 0.834 20 5 DCBDRO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](C)C[N@@H+]1CCO ZINC000841456763 671934154 /nfs/dbraw/zinc/93/41/54/671934154.db2.gz LWQLALUBEQRCOH-NEPJUHHUSA-N 1 0 301.387 0.735 20 5 DCBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)C[NH3+] ZINC000842475179 672013503 /nfs/dbraw/zinc/01/35/03/672013503.db2.gz LBLGNTMSCSKXAQ-VIFPVBQESA-N 1 0 316.745 0.438 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139138 693709782 /nfs/dbraw/zinc/70/97/82/693709782.db2.gz SETOUIZBJWYPMM-FDYHWXHSSA-N 1 0 308.313 0.623 20 5 DCBDRO Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001020140385 693711176 /nfs/dbraw/zinc/71/11/76/693711176.db2.gz DTGRVBSLBFZUQO-CNVPUSNMSA-N 1 0 310.379 0.854 20 5 DCBDRO Cc1ncc(C[N@@H+]2CCC3(CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C3)C2)o1 ZINC001072725228 694657287 /nfs/dbraw/zinc/65/72/87/694657287.db2.gz KRJFDKSGALLKBN-CHWSQXEVSA-N 1 0 320.349 0.683 20 5 DCBDRO Cc1nn(C)cc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001670781409 1158001568 /nfs/dbraw/zinc/00/15/68/1158001568.db2.gz JGMMUWARDCQZNA-VXGBXAGGSA-N 1 0 307.354 0.132 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)CN1CC[NH2+]CC1 ZINC001573806340 1163558034 /nfs/dbraw/zinc/55/80/34/1163558034.db2.gz IEWQDFUJHHXHSI-UHFFFAOYSA-N 1 0 308.338 0.837 20 5 DCBDRO C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001576023569 1164214492 /nfs/dbraw/zinc/21/44/92/1164214492.db2.gz QGVRGNZWDLQLAC-RYUDHWBXSA-N 1 0 322.365 0.986 20 5 DCBDRO CC1(C)CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[NH2+]C1 ZINC001576416936 1164335630 /nfs/dbraw/zinc/33/56/30/1164335630.db2.gz MZVGMEMZBUYYAQ-NSHDSACASA-N 1 0 322.365 0.651 20 5 DCBDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001578638904 1165073345 /nfs/dbraw/zinc/07/33/45/1165073345.db2.gz XAEJFZIHFJBFOI-FZMZJTMJSA-N 1 0 309.366 0.812 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC001578652306 1165081407 /nfs/dbraw/zinc/08/14/07/1165081407.db2.gz HAWFKIZJHJDZIG-JTQLQIEISA-N 1 0 317.367 0.104 20 5 DCBDRO COc1cccc(C(=O)NC2(C[NH3+])CCOCC2)c1[N+](=O)[O-] ZINC001579260126 1165252622 /nfs/dbraw/zinc/25/26/22/1165252622.db2.gz PAKVVUWZNVDYFF-UHFFFAOYSA-N 1 0 309.322 0.841 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001579537327 1165339856 /nfs/dbraw/zinc/33/98/56/1165339856.db2.gz NMRDJIMCECAILC-VIFPVBQESA-N 1 0 309.297 0.903 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@]2(O)CC[NH2+]C2)c1F ZINC001579642659 1165370438 /nfs/dbraw/zinc/37/04/38/1165370438.db2.gz OMKMTFFULOVSKW-ZDUSSCGKSA-N 1 0 315.276 0.636 20 5 DCBDRO NC(=O)c1ccnc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001580107177 1165507018 /nfs/dbraw/zinc/50/70/18/1165507018.db2.gz RHJKNFVLOFPMJX-MNOVXSKESA-N 1 0 319.365 0.915 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001580755480 1165712184 /nfs/dbraw/zinc/71/21/84/1165712184.db2.gz OJEAZEDSZDORPX-YABSGUDNSA-N 1 0 313.317 0.728 20 5 DCBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC[N@@H+]1C ZINC001590175199 1166800632 /nfs/dbraw/zinc/80/06/32/1166800632.db2.gz MPVRDMRYINGRAF-JGVFFNPUSA-N 1 0 318.341 0.862 20 5 DCBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC[N@@H+]1C ZINC001590175201 1166801546 /nfs/dbraw/zinc/80/15/46/1166801546.db2.gz MPVRDMRYINGRAF-YUMQZZPRSA-N 1 0 318.341 0.862 20 5 DCBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001590213247 1166815195 /nfs/dbraw/zinc/81/51/95/1166815195.db2.gz CWEVBALGIUIPJI-RKDXNWHRSA-N 1 0 304.310 0.730 20 5 DCBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001591011498 1167079666 /nfs/dbraw/zinc/07/96/66/1167079666.db2.gz CELROVYMTOAEEG-VIFPVBQESA-N 1 0 307.314 0.109 20 5 DCBDRO C[NH+](C)[C@H]1C[C@@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001591025171 1167085114 /nfs/dbraw/zinc/08/51/14/1167085114.db2.gz QOZRLMXIOXVTHT-DTORHVGOSA-N 1 0 318.341 0.922 20 5 DCBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591058545 1167097091 /nfs/dbraw/zinc/09/70/91/1167097091.db2.gz UUNFPPJOWRYQKV-JTQLQIEISA-N 1 0 318.341 0.700 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001591171455 1167126256 /nfs/dbraw/zinc/12/62/56/1167126256.db2.gz NPYDKEFWUIJKAL-UHFFFAOYSA-N 1 0 304.314 0.168 20 5 DCBDRO COc1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001596969930 1167999106 /nfs/dbraw/zinc/99/91/06/1167999106.db2.gz BPFZBJNYKUZRFP-ABAIWWIYSA-N 1 0 323.349 0.675 20 5 DCBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001603839959 1169407826 /nfs/dbraw/zinc/40/78/26/1169407826.db2.gz OQTFEBVNFALNGZ-OIBJUYFYSA-N 1 0 304.314 0.674 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H](CO)[C@@H]3CCOC3)C2)c1 ZINC001621286379 1171409215 /nfs/dbraw/zinc/40/92/15/1171409215.db2.gz XSKVXLARCUTWSD-IALDZJHCSA-N 1 0 310.354 0.729 20 5 DCBDRO C[NH+](C)C1CCN(CCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001635105956 1171693211 /nfs/dbraw/zinc/69/32/11/1171693211.db2.gz UGGNSQBLWNQGLO-UHFFFAOYSA-N 1 0 310.358 0.074 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)n1 ZINC001635226090 1171696470 /nfs/dbraw/zinc/69/64/70/1171696470.db2.gz VKWCKWIFSYXEQL-GFCCVEGCSA-N 1 0 322.365 0.875 20 5 DCBDRO CC1(C)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC(C)(C)[NH2+]1 ZINC001637730135 1171775889 /nfs/dbraw/zinc/77/58/89/1171775889.db2.gz DYLILFFPRKGZCL-UHFFFAOYSA-N 1 0 310.358 0.565 20 5 DCBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2nn(C)cc2[N+](=O)[O-])CC1 ZINC001639430017 1171837896 /nfs/dbraw/zinc/83/78/96/1171837896.db2.gz MIYFMRVUPBPYTI-UHFFFAOYSA-N 1 0 324.385 0.683 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC001640965554 1171901124 /nfs/dbraw/zinc/90/11/24/1171901124.db2.gz PBMGFEGZSGBGST-NSHDSACASA-N 1 0 322.365 0.754 20 5 DCBDRO COC(=O)C12CCC(CC1)N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001644144688 1171997545 /nfs/dbraw/zinc/99/75/45/1171997545.db2.gz XPTCZFUXIMUYSM-KSGYAGIASA-N 1 0 324.337 0.322 20 5 DCBDRO COC1(OC)CCOC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC001648204852 1173070251 /nfs/dbraw/zinc/07/02/51/1173070251.db2.gz VQVBSMDOVCOOMH-LLVKDONJSA-N 1 0 300.315 0.159 20 5 DCBDRO NC(=O)c1ccnc(N2CC([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001652229572 1173765507 /nfs/dbraw/zinc/76/55/07/1173765507.db2.gz SANODJASUGLWSI-UHFFFAOYSA-N 1 0 321.337 0.046 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@]3(O)CCOC3)CC2)cn1 ZINC001652278745 1173765912 /nfs/dbraw/zinc/76/59/12/1173765912.db2.gz HNUGHSPKUBXYSI-OAHLLOKOSA-N 1 0 322.365 0.700 20 5 DCBDRO Cc1ccc(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)c(N)c1[N+](=O)[O-] ZINC001653218156 1173783547 /nfs/dbraw/zinc/78/35/47/1173783547.db2.gz VDENLEHCELWPNF-PWSUYJOCSA-N 1 0 319.365 0.812 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC001655627436 1173824550 /nfs/dbraw/zinc/82/45/50/1173824550.db2.gz DOMCLOHYAFYBIJ-BFHYXJOUSA-N 1 0 310.354 0.389 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCOC23CCCC3)c1 ZINC001655823718 1173828975 /nfs/dbraw/zinc/82/89/75/1173828975.db2.gz JNGQUCYSQPYJKW-QWHCGFSZSA-N 1 0 310.354 0.844 20 5 DCBDRO O=C(NC1(C[NH2+]CCn2cccn2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001665921738 1174572989 /nfs/dbraw/zinc/57/29/89/1174572989.db2.gz UEYKAKJBFYWPCU-CHWSQXEVSA-N 1 0 321.381 0.567 20 5 DCBDRO CCC(CC)[NH2+]CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001680392813 1175814004 /nfs/dbraw/zinc/81/40/04/1175814004.db2.gz YGDBPWVPQPMGJA-UHFFFAOYSA-N 1 0 312.374 0.869 20 5 DCBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CNC(C)=O ZINC001715714460 1181953815 /nfs/dbraw/zinc/95/38/15/1181953815.db2.gz ODXMLRIEEBNVEL-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1ccccc1[N+](=O)[O-])c1nnc[nH]1 ZINC001732918839 1186058601 /nfs/dbraw/zinc/05/86/01/1186058601.db2.gz MULJDEWMIPTBEU-ARJAWSKDSA-N 1 0 316.321 0.789 20 5 DCBDRO CCC(=O)N(CCO)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001733605798 1186358368 /nfs/dbraw/zinc/35/83/68/1186358368.db2.gz LFUPWRGEHDKESI-UHFFFAOYSA-N 1 0 301.368 0.977 20 5 DCBDRO O=C(C(F)F)N(CCO)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001733608484 1186360511 /nfs/dbraw/zinc/36/05/11/1186360511.db2.gz LDUGUQKKLPYXDK-UHFFFAOYSA-N 1 0 323.321 0.832 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]Cc1ccccc1 ZINC001733616427 1186370051 /nfs/dbraw/zinc/37/00/51/1186370051.db2.gz VCCUPEORYSVGKR-ZIAGYGMSSA-N 1 0 307.350 0.262 20 5 DCBDRO O=C(NCC1([NH2+]CCOC2CCC2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733716241 1186412609 /nfs/dbraw/zinc/41/26/09/1186412609.db2.gz HFPHBXAUPBBXPB-CHWSQXEVSA-N 1 0 311.382 0.849 20 5 DCBDRO Cc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001753188175 1188527405 /nfs/dbraw/zinc/52/74/05/1188527405.db2.gz LVHHOHMPCIRWEG-GHMZBOCLSA-N 1 0 312.395 0.973 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1nccn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755280442 1189069016 /nfs/dbraw/zinc/06/90/16/1189069016.db2.gz HWPYNGRDHZXYAC-VXGBXAGGSA-N 1 0 323.397 0.660 20 5 DCBDRO COc1cc(C)nc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1[N+](=O)[O-] ZINC001164666511 719389952 /nfs/dbraw/zinc/38/99/52/719389952.db2.gz KSJYYYDXNSITLM-PWSUYJOCSA-N 1 0 308.338 0.826 20 5 DCBDRO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001164919605 721848696 /nfs/dbraw/zinc/84/86/96/721848696.db2.gz BIHSLODNQOQTJL-KGLIPLIRSA-N 1 0 321.381 0.443 20 5 DCBDRO CN(C(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C1(C[NH3+])CCOCC1 ZINC001578387620 1164995226 /nfs/dbraw/zinc/99/52/26/1164995226.db2.gz RLUDLJUCEZCEOX-UHFFFAOYSA-N 1 0 317.733 0.551 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001125511379 747261515 /nfs/dbraw/zinc/26/15/15/747261515.db2.gz LJXMGCQBUZSADH-UHFFFAOYSA-N 1 0 321.341 0.497 20 5 DCBDRO CN1CCc2c(N[C@H]3CCC(=O)NC3=O)ccc([N+](=O)[O-])c2C1 ZINC001167579232 747403009 /nfs/dbraw/zinc/40/30/09/747403009.db2.gz YAEXJKAEEKAWEC-LBPRGKRZSA-N 1 0 318.333 0.800 20 5 DCBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)C[NH+]1CCCC1 ZINC001105405202 749186556 /nfs/dbraw/zinc/18/65/56/749186556.db2.gz QSPKTGYSCHAMQM-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001168049950 749227429 /nfs/dbraw/zinc/22/74/29/749227429.db2.gz YBCVTIACZLBTEF-DZUCGIPZSA-N 1 0 309.430 0.797 20 5 DCBDRO Cn1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001126649666 749523742 /nfs/dbraw/zinc/52/37/42/749523742.db2.gz FJPIRIOUKROQKP-UHFFFAOYSA-N 1 0 304.310 0.243 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2ccnc2C(N)=[NH2+])cc1OC ZINC001168418077 750711620 /nfs/dbraw/zinc/71/16/20/750711620.db2.gz UFNLKLUZULSXNX-UHFFFAOYSA-N 1 0 319.277 0.860 20 5 DCBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CNC(=O)CO2)c([N+](=O)[O-])c1 ZINC001170304889 762596931 /nfs/dbraw/zinc/59/69/31/762596931.db2.gz HIXOURMJVPPPDI-ZWNOBZJWSA-N 1 0 323.349 0.639 20 5 DCBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170315291 762608341 /nfs/dbraw/zinc/60/83/41/762608341.db2.gz WQFHXTLLWHQBPY-CYZMBNFOSA-N 1 0 310.350 0.962 20 5 DCBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H](O)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170315292 762608697 /nfs/dbraw/zinc/60/86/97/762608697.db2.gz WQFHXTLLWHQBPY-RAIGVLPGSA-N 1 0 310.350 0.962 20 5 DCBDRO Cn1nccc1CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363140 760101350 /nfs/dbraw/zinc/10/13/50/760101350.db2.gz DIZPAAYJIIXMPP-HBJVGIJOSA-N 1 0 321.381 0.112 20 5 DCBDRO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363309 760101621 /nfs/dbraw/zinc/10/16/21/760101621.db2.gz NKDXMRYJFQINBN-FMKGYKFTSA-N 1 0 321.381 0.378 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168817334 760457930 /nfs/dbraw/zinc/45/79/30/760457930.db2.gz JVMIAEOLUIXXNS-SECBINFHSA-N 1 0 317.305 0.778 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168817344 760458209 /nfs/dbraw/zinc/45/82/09/760458209.db2.gz JXZXQYAOZYAQDR-VIFPVBQESA-N 1 0 317.305 0.778 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N(CC[NH3+])c1cccnc1 ZINC001168830877 760473888 /nfs/dbraw/zinc/47/38/88/760473888.db2.gz BAJYKKREZGLWIU-UHFFFAOYSA-N 1 0 302.294 0.581 20 5 DCBDRO COc1cc(C)nc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-] ZINC001156236384 760519043 /nfs/dbraw/zinc/51/90/43/760519043.db2.gz IAPQADGLWSWEMS-UHFFFAOYSA-N 1 0 304.328 0.032 20 5 DCBDRO CN(C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)S(C)(=O)=O ZINC001169033897 760551494 /nfs/dbraw/zinc/55/14/94/760551494.db2.gz DUACYAZZACQMQS-AAEUAGOBSA-N 1 0 319.427 0.788 20 5 DCBDRO O=C1CC2(CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC(=O)N1 ZINC001169039593 760556125 /nfs/dbraw/zinc/55/61/25/760556125.db2.gz REDMUPXYGJRZBY-VXGBXAGGSA-N 1 0 309.366 0.951 20 5 DCBDRO CNC(=O)[C@@]12CCO[C@@H]1CC[N@@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169025860 760560502 /nfs/dbraw/zinc/56/05/02/760560502.db2.gz ZJJQUGLFTNSMKC-QVHKTLOISA-N 1 0 311.382 0.659 20 5 DCBDRO O=C(CN1CCCC1=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001123335381 767965230 /nfs/dbraw/zinc/96/52/30/767965230.db2.gz OYBNAOKOZLSYRB-UHFFFAOYSA-N 1 0 320.349 0.423 20 5 DCBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 ZINC001169918546 760932549 /nfs/dbraw/zinc/93/25/49/760932549.db2.gz WDOGYXZVSFTBGU-CYBMUJFWSA-N 1 0 324.385 0.074 20 5 DCBDRO CN1C[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1=O ZINC001156569763 761203024 /nfs/dbraw/zinc/20/30/24/761203024.db2.gz BJMPATZHVKTHNF-SECBINFHSA-N 1 0 306.326 0.104 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(-n2c(C)ncc(C[NH3+])c2=N)n1 ZINC001156829051 761495558 /nfs/dbraw/zinc/49/55/58/761495558.db2.gz HEMTXFADXYDVLI-UHFFFAOYSA-N 1 0 305.298 0.134 20 5 DCBDRO [NH3+]CCOCCOCCNc1ncc2cccc([N+](=O)[O-])c2n1 ZINC001170508753 763408058 /nfs/dbraw/zinc/40/80/58/763408058.db2.gz XJIATTOLPIKRRL-UHFFFAOYSA-N 1 0 321.337 0.942 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170574697 763901790 /nfs/dbraw/zinc/90/17/90/763901790.db2.gz NUQUZYGGIRSIFX-GZMMTYOYSA-N 1 0 310.310 0.565 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)n1 ZINC001135244447 765849702 /nfs/dbraw/zinc/84/97/02/765849702.db2.gz ABFBNKQDFIXKPG-HBNTYKKESA-N 1 0 307.354 0.881 20 5 DCBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC001116422880 765869792 /nfs/dbraw/zinc/86/97/92/765869792.db2.gz LRMFWYUCHAJLHB-JTQLQIEISA-N 1 0 323.353 0.549 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001116487213 765875760 /nfs/dbraw/zinc/87/57/60/765875760.db2.gz XMWLQSUMXAWFKX-GHMZBOCLSA-N 1 0 307.354 0.993 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ncccn1 ZINC001135602656 766002716 /nfs/dbraw/zinc/00/27/16/766002716.db2.gz ZYGBXESORVHPBK-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001118038195 766203095 /nfs/dbraw/zinc/20/30/95/766203095.db2.gz JKNOTNCKHKTYHB-LLVKDONJSA-N 1 0 322.365 0.368 20 5 DCBDRO NC(=O)C1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001118502209 766335900 /nfs/dbraw/zinc/33/59/00/766335900.db2.gz SOBYIBNCUDQRII-LBPRGKRZSA-N 1 0 309.322 0.252 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCNC2=O)CC1 ZINC001119324238 766632927 /nfs/dbraw/zinc/63/29/27/766632927.db2.gz SQAGFZKWPSMPSQ-UHFFFAOYSA-N 1 0 307.354 0.702 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119533421 766716407 /nfs/dbraw/zinc/71/64/07/766716407.db2.gz VTKXROHOJQVEFS-ZBFHGGJFSA-N 1 0 319.361 0.935 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119533419 766716518 /nfs/dbraw/zinc/71/65/18/766716518.db2.gz VTKXROHOJQVEFS-GOEBONIOSA-N 1 0 319.361 0.935 20 5 DCBDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001144204636 766828587 /nfs/dbraw/zinc/82/85/87/766828587.db2.gz STDSJBHGSZSKDD-UHFFFAOYSA-N 1 0 324.385 0.416 20 5 DCBDRO C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)[C@@H]1C[N@H+](C)CCN1C ZINC001120873073 767282966 /nfs/dbraw/zinc/28/29/66/767282966.db2.gz CJMGSGXKCGVPLM-QWRGUYRKSA-N 1 0 319.369 0.684 20 5 DCBDRO CCOC(=O)[C@H](C)CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160891369 767380028 /nfs/dbraw/zinc/38/00/28/767380028.db2.gz CLJDOGKOZJXEBY-MRVPVSSYSA-N 1 0 309.326 0.683 20 5 DCBDRO CC(C)[NH2+]C1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001121381719 767535573 /nfs/dbraw/zinc/53/55/73/767535573.db2.gz WAOYLEWHYVJSOA-UHFFFAOYSA-N 1 0 310.402 0.991 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001122333384 767773489 /nfs/dbraw/zinc/77/34/89/767773489.db2.gz YPRGZQWFYIEQIY-LBPRGKRZSA-N 1 0 322.365 0.478 20 5 DCBDRO CC[NH+](CC)CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093646729 768668257 /nfs/dbraw/zinc/66/82/57/768668257.db2.gz IDHKJOPOTAASRO-UHFFFAOYSA-N 1 0 311.342 0.565 20 5 DCBDRO C[N@H+](CCCNC(=O)CNC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001233705871 769430278 /nfs/dbraw/zinc/43/02/78/769430278.db2.gz OKSXZAZKLZNNAI-UHFFFAOYSA-N 1 0 323.353 0.201 20 5 DCBDRO O=C1CO[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CN1 ZINC001172912327 769521383 /nfs/dbraw/zinc/52/13/83/769521383.db2.gz NELZHOJMYLVQSX-DZGCQCFKSA-N 1 0 319.361 0.947 20 5 DCBDRO COC(=O)CC[C@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001173226667 769567969 /nfs/dbraw/zinc/56/79/69/769567969.db2.gz YPESZSHKWJXNDR-GWCFXTLKSA-N 1 0 323.349 0.923 20 5 DCBDRO Cc1ccc(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC001234581126 769693831 /nfs/dbraw/zinc/69/38/31/769693831.db2.gz ASAATGCZCQJFEC-ZDUSSCGKSA-N 1 0 322.365 0.769 20 5 DCBDRO C[C@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC001154043168 770055123 /nfs/dbraw/zinc/05/51/23/770055123.db2.gz RYJNFXPVMUYSGQ-VIFPVBQESA-N 1 0 305.338 0.952 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@H]1COCCC12C[NH2+]C2 ZINC001155468839 770512209 /nfs/dbraw/zinc/51/22/09/770512209.db2.gz LQZXIEHTELXAFE-VIFPVBQESA-N 1 0 314.729 0.672 20 5 DCBDRO COC(=O)c1ccnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1[N+](=O)[O-] ZINC001155543201 770538341 /nfs/dbraw/zinc/53/83/41/770538341.db2.gz FNYZBQOLAMZXBP-AMIZOPFISA-N 1 0 308.294 0.319 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)nc1Cl ZINC001155570953 770547437 /nfs/dbraw/zinc/54/74/37/770547437.db2.gz PLSVNCFVUPBVLN-QPUJVOFHSA-N 1 0 311.729 0.942 20 5 DCBDRO CC(C)Oc1nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155581864 770555098 /nfs/dbraw/zinc/55/50/98/770555098.db2.gz VMWRSIBQKGPZTB-QMTHXVAHSA-N 1 0 321.337 0.767 20 5 DCBDRO CCC(=O)NCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001155801828 770622695 /nfs/dbraw/zinc/62/26/95/770622695.db2.gz CACWPVXGDHVXDX-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO Cc1cc(Cl)nc(N(C)S(=O)(=O)CC[NH3+])c1[N+](=O)[O-] ZINC001156237040 770759792 /nfs/dbraw/zinc/75/97/92/770759792.db2.gz VKSNGKMONZJQOY-UHFFFAOYSA-N 1 0 308.747 0.676 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC001181441742 771291872 /nfs/dbraw/zinc/29/18/72/771291872.db2.gz IOAYLPBIKWAYRI-UWJYBYFXSA-N 1 0 305.338 0.642 20 5 DCBDRO Cn1ccc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001151083690 771409448 /nfs/dbraw/zinc/40/94/48/771409448.db2.gz DGJOEXRCHJVRME-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO CN1C(=O)CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC001182498482 771500504 /nfs/dbraw/zinc/50/05/04/771500504.db2.gz IYJVXFXERBATHQ-NWGYLPEXSA-N 1 0 307.310 0.232 20 5 DCBDRO O=[N+]([O-])c1c(NC2(CO)CCCC2)ncnc1N1CC[NH2+]CC1 ZINC001157002700 771516234 /nfs/dbraw/zinc/51/62/34/771516234.db2.gz FOYXALJECBRXQZ-UHFFFAOYSA-N 1 0 322.369 0.511 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(N(c2cnccn2)C2CC[NH2+]CC2)c1 ZINC001157537883 771627529 /nfs/dbraw/zinc/62/75/29/771627529.db2.gz PUPHGRHYIZSODH-UHFFFAOYSA-N 1 0 316.321 0.908 20 5 DCBDRO COc1ncccc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766847 771666155 /nfs/dbraw/zinc/66/61/55/771666155.db2.gz ASDCIWTWAALBHM-VXGBXAGGSA-N 1 0 308.338 0.351 20 5 DCBDRO O=C(NCCC[NH2+]CCOCC(F)(F)F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775030 771670568 /nfs/dbraw/zinc/67/05/68/771670568.db2.gz ILRWSORHWVUCSJ-RKDXNWHRSA-N 1 0 313.276 0.326 20 5 DCBDRO O=C(N[C@@H]1CCCN(CCF)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001183849079 771707772 /nfs/dbraw/zinc/70/77/72/771707772.db2.gz DCHYZXADSMUKSY-SECBINFHSA-N 1 0 312.301 0.859 20 5 DCBDRO COc1nc(N2CCC[C@](C)(C[NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001158678387 771806833 /nfs/dbraw/zinc/80/68/33/771806833.db2.gz HJQIVTJKBCBVFC-CYBMUJFWSA-N 1 0 311.342 0.967 20 5 DCBDRO CCOC(=O)c1ccnc(N2C[C@@H]([NH3+])C3(COC3)C2)c1[N+](=O)[O-] ZINC001158769539 771820020 /nfs/dbraw/zinc/82/00/20/771820020.db2.gz QTKYRTPKFUDXCP-SNVBAGLBSA-N 1 0 322.321 0.330 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccns1 ZINC001159113629 771862812 /nfs/dbraw/zinc/86/28/12/771862812.db2.gz OCXJCBLPDDHFHG-UHFFFAOYSA-N 1 0 324.366 0.695 20 5 DCBDRO COc1cc2ncnc(N[C@H]3C[NH2+]C[C@H]3CO)c2cc1[N+](=O)[O-] ZINC001159677584 771943251 /nfs/dbraw/zinc/94/32/51/771943251.db2.gz LAEWYDNOXQDUOC-KWQFWETISA-N 1 0 319.321 0.539 20 5 DCBDRO CC(C)(C)NC(=O)CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160418104 772035201 /nfs/dbraw/zinc/03/52/01/772035201.db2.gz PHQXHPPDTQODFB-UHFFFAOYSA-N 1 0 322.369 0.788 20 5 DCBDRO COc1nc(NC2CCN([C@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001161462606 772227561 /nfs/dbraw/zinc/22/75/61/772227561.db2.gz BQRRJHLKSZZVSF-NSHDSACASA-N 1 0 322.369 0.632 20 5 DCBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn[nH]n1 ZINC001161691872 772266997 /nfs/dbraw/zinc/26/69/97/772266997.db2.gz ZQLTZAXOVOTEIY-UHFFFAOYSA-N 1 0 304.310 0.623 20 5 DCBDRO C[NH+]1CCN(CCCNc2c(F)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001161703270 772269219 /nfs/dbraw/zinc/26/92/19/772269219.db2.gz BDLFBAZUSDSFBL-UHFFFAOYSA-N 1 0 313.333 0.417 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cnc([N+](=O)[O-])c(OC)c1 ZINC001162536863 772388615 /nfs/dbraw/zinc/38/86/15/772388615.db2.gz IBLRPEDSKOPIAE-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO COc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)nc(OC)c1[N+](=O)[O-] ZINC001162792912 772418821 /nfs/dbraw/zinc/41/88/21/772418821.db2.gz JAHMAUUSNRYLQX-HRDYMLBCSA-N 1 0 307.310 0.588 20 5 DCBDRO COC(=O)c1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001162795481 772419117 /nfs/dbraw/zinc/41/91/17/772419117.db2.gz WOTCYIVCSDXUGF-DVVUODLYSA-N 1 0 304.306 0.962 20 5 DCBDRO O=[N+]([O-])c1cncc(Cl)c1NCc1nnn2c1C[NH2+]CCC2 ZINC001162978032 772438674 /nfs/dbraw/zinc/43/86/74/772438674.db2.gz UJQASSBWAHUNCV-UHFFFAOYSA-N 1 0 323.744 0.762 20 5 DCBDRO CC[NH+](CC)CCNC(=N)Nc1ncc([N+](=O)[O-])c(OC)n1 ZINC001163122086 772468260 /nfs/dbraw/zinc/46/82/60/772468260.db2.gz BGXHPFUVJUWMBK-UHFFFAOYSA-N 1 0 311.346 0.671 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1 ZINC001163252707 772492599 /nfs/dbraw/zinc/49/25/99/772492599.db2.gz BDCQXVRGGKPDOK-FZMZJTMJSA-N 1 0 320.305 0.371 20 5 DCBDRO COc1cc([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1F ZINC001163253525 772493110 /nfs/dbraw/zinc/49/31/10/772493110.db2.gz ZYMUFCAZKOEOOX-WCQYABFASA-N 1 0 310.285 0.733 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163304328 772502813 /nfs/dbraw/zinc/50/28/13/772502813.db2.gz HRVPATKCGJDSGU-OTYXRUKQSA-N 1 0 321.337 0.412 20 5 DCBDRO Nc1nc(N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)ncc1[N+](=O)[O-] ZINC001164124248 772614438 /nfs/dbraw/zinc/61/44/38/772614438.db2.gz GUKIZXQROBOBSA-PSASIEDQSA-N 1 0 310.383 0.959 20 5 DCBDRO O=[N+]([O-])c1ccc2nc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)cnc2c1 ZINC001165283650 772717279 /nfs/dbraw/zinc/71/72/79/772717279.db2.gz HEEKSUDIACBVAB-BMIGLBTASA-N 1 0 315.333 0.556 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3[NH2+]C[C@H]32)n1 ZINC001165392612 772731924 /nfs/dbraw/zinc/73/19/24/772731924.db2.gz CNRQOQAAXQEVJS-VHSXEESVSA-N 1 0 306.326 0.592 20 5 DCBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])c(=O)n(C)c2)CC[NH2+]CC1 ZINC001166946908 772885838 /nfs/dbraw/zinc/88/58/38/772885838.db2.gz FELOALDLKWGOOW-UHFFFAOYSA-N 1 0 310.310 0.001 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nccc(Cl)c1[N+](=O)[O-] ZINC001166960917 772890075 /nfs/dbraw/zinc/89/00/75/772890075.db2.gz DLDUICHCMLULLQ-SVRRBLITSA-N 1 0 300.702 0.722 20 5 DCBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)N1 ZINC001193977446 773134641 /nfs/dbraw/zinc/13/46/41/773134641.db2.gz RJGJVUQJQACDKT-CYBMUJFWSA-N 1 0 305.294 0.164 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001218859996 774316082 /nfs/dbraw/zinc/31/60/82/774316082.db2.gz RGTIHEOTGOCSDP-ONGXEEELSA-N 1 0 322.372 0.850 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2ccc[n+]([O-])c21 ZINC001227001356 775909183 /nfs/dbraw/zinc/90/91/83/775909183.db2.gz AAAHKIHNQVGUKS-CYBMUJFWSA-N 1 0 305.354 0.836 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(=O)[nH]c2sccc21 ZINC001227842393 776014783 /nfs/dbraw/zinc/01/47/83/776014783.db2.gz CZMAINWXHDNKNQ-MRVPVSSYSA-O 1 0 312.371 0.760 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001597122814 1168000859 /nfs/dbraw/zinc/00/08/59/1168000859.db2.gz IQKHXHOQESPGMC-JTQLQIEISA-N 1 0 305.722 0.014 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn(C)nn1 ZINC001317582566 945082269 /nfs/dbraw/zinc/08/22/69/945082269.db2.gz KWUSCHROFKPNIU-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cn[nH]n1 ZINC001317603762 945105830 /nfs/dbraw/zinc/10/58/30/945105830.db2.gz DNXSONDZCCQMBV-UHFFFAOYSA-N 1 0 310.339 0.636 20 5 DCBDRO Cc1nc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)co1 ZINC001481223515 939651651 /nfs/dbraw/zinc/65/16/51/939651651.db2.gz JNKLCOVKMAXAJV-UHFFFAOYSA-N 1 0 322.325 0.487 20 5 DCBDRO O=C(NCCN1CCC([NH2+]CCCF)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484419280 943364089 /nfs/dbraw/zinc/36/40/89/943364089.db2.gz NEMWSDCDLVUCKS-CHWSQXEVSA-N 1 0 316.377 0.181 20 5 DCBDRO NC(=O)COC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001319397634 945576683 /nfs/dbraw/zinc/57/66/83/945576683.db2.gz UPTBZGZRJLKULR-AWEZNQCLSA-N 1 0 323.349 0.595 20 5 DCBDRO CCC[NH+]1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001253411854 946118069 /nfs/dbraw/zinc/11/80/69/946118069.db2.gz QRPLEMLIBURHML-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO C[C@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC001253411499 946119076 /nfs/dbraw/zinc/11/90/76/946119076.db2.gz IXNALSDFXYSIAR-SNVBAGLBSA-N 1 0 308.338 0.355 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001254538695 946406819 /nfs/dbraw/zinc/40/68/19/946406819.db2.gz ZBGGYJCQFXCYIJ-SYZWTGEBSA-N 1 0 310.350 0.218 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001258324924 946822829 /nfs/dbraw/zinc/82/28/29/946822829.db2.gz HRVFJUZNTLWZAT-UHFFFAOYSA-N 1 0 322.365 0.274 20 5 DCBDRO COc1ccc(CNC(=O)C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001262034265 947536642 /nfs/dbraw/zinc/53/66/42/947536642.db2.gz XMRAXJFBXSSUMS-VIFPVBQESA-N 1 0 324.337 0.073 20 5 DCBDRO COCC(C)(C)[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C)CC1 ZINC001262864585 947779521 /nfs/dbraw/zinc/77/95/21/947779521.db2.gz KPGYZSQXVLOJBE-UHFFFAOYSA-N 1 0 312.374 0.139 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001325711353 947890324 /nfs/dbraw/zinc/89/03/24/947890324.db2.gz AJUOXRRGWBBKRS-SSDOTTSWSA-N 1 0 314.729 0.328 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)n1 ZINC001299740490 948730034 /nfs/dbraw/zinc/73/00/34/948730034.db2.gz AOOHVQLCBQMETI-CYBMUJFWSA-N 1 0 322.365 0.875 20 5 DCBDRO Cc1nc(N(CC[NH+](C)C)CC(=O)N(C)C)ncc1[N+](=O)[O-] ZINC001328585063 948978202 /nfs/dbraw/zinc/97/82/02/948978202.db2.gz KONVKDSHAWHSEG-UHFFFAOYSA-N 1 0 310.358 0.149 20 5 DCBDRO O=C(N1CCc2ccc([N+](=O)[O-])cc2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001329761428 949850954 /nfs/dbraw/zinc/85/09/54/949850954.db2.gz ZQGWOHJCRTTYMN-BBRMVZONSA-N 1 0 317.345 0.716 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331775709 951309587 /nfs/dbraw/zinc/30/95/87/951309587.db2.gz RWZDRTLSYLIVMY-UHFFFAOYSA-N 1 0 306.322 0.244 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001333355089 952018159 /nfs/dbraw/zinc/01/81/59/952018159.db2.gz YYPBVGPZNAYAMA-NWDGAFQWSA-N 1 0 320.349 0.357 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001334111432 952241836 /nfs/dbraw/zinc/24/18/36/952241836.db2.gz QJRLDPISKOIETQ-VXGBXAGGSA-N 1 0 307.354 0.843 20 5 DCBDRO CCn1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001276002528 952608967 /nfs/dbraw/zinc/60/89/67/952608967.db2.gz ULIAWMBTLKJICO-CHWSQXEVSA-N 1 0 309.370 0.506 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001340862337 953199657 /nfs/dbraw/zinc/19/96/57/953199657.db2.gz GFVBOPNTUXGIJA-GFCCVEGCSA-N 1 0 313.329 0.705 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001342350523 953284938 /nfs/dbraw/zinc/28/49/38/953284938.db2.gz SNJSYQZRGGMTBW-LLVKDONJSA-N 1 0 310.354 0.313 20 5 DCBDRO CC[NH+]1CCN(c2nnc([C@H](C)[N+](=O)[O-])n2CCOC)CC1 ZINC001343181348 953326905 /nfs/dbraw/zinc/32/69/05/953326905.db2.gz AZIMELQKEHBAJX-NSHDSACASA-N 1 0 312.374 0.404 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC001345930729 953766475 /nfs/dbraw/zinc/76/64/75/953766475.db2.gz JKKGARKNGZDLFK-VIFPVBQESA-N 1 0 317.367 0.737 20 5 DCBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001348323432 954265798 /nfs/dbraw/zinc/26/57/98/954265798.db2.gz ZUKHCJYJXIAOEV-QWHCGFSZSA-N 1 0 320.349 0.468 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC001348580546 954372115 /nfs/dbraw/zinc/37/21/15/954372115.db2.gz NIPZRFMXVZGKFE-GFCCVEGCSA-N 1 0 320.349 0.469 20 5 DCBDRO O=c1cc([C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)[nH]c(=O)[nH]1 ZINC001307891446 960164088 /nfs/dbraw/zinc/16/40/88/960164088.db2.gz RYCYUEPWYQPUIL-VIFPVBQESA-N 1 0 320.309 0.482 20 5 DCBDRO NC(=O)c1ccc(C[N@H+]2C[C@H](CCO)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001308161275 960167546 /nfs/dbraw/zinc/16/75/46/960167546.db2.gz BIYCPZXRULPHFR-AAEUAGOBSA-N 1 0 323.349 0.116 20 5 DCBDRO CNc1ccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001528679390 1014382716 /nfs/dbraw/zinc/38/27/16/1014382716.db2.gz FKVKXIXLPNYWGJ-OAHLLOKOSA-N 1 0 322.365 0.775 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001464229796 1015891267 /nfs/dbraw/zinc/89/12/67/1015891267.db2.gz CWERPHCXZQQJGC-NEPJUHHUSA-N 1 0 320.349 0.500 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncccc1C ZINC001492950517 1003624820 /nfs/dbraw/zinc/62/48/20/1003624820.db2.gz UGOYYJJDXXBSNW-TZMCWYRMSA-N 1 0 306.366 0.993 20 5 DCBDRO CC(C)C[NH2+]C1(CO)CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001472787147 1016855610 /nfs/dbraw/zinc/85/56/10/1016855610.db2.gz YGXVXLVAGHVTPC-UHFFFAOYSA-N 1 0 311.386 0.905 20 5 DCBDRO C[C@@](CO)([NH2+]CCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001473713617 1016960343 /nfs/dbraw/zinc/96/03/43/1016960343.db2.gz CAVHAMIXMPZAQA-HNNXBMFYSA-N 1 0 307.350 0.918 20 5 DCBDRO C[N@@H+]1CCCN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001542939114 1012494460 /nfs/dbraw/zinc/49/44/60/1012494460.db2.gz ZTSHOWOAWPWEPQ-UHFFFAOYSA-N 1 0 310.358 0.075 20 5 DCBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC001459949036 1012840849 /nfs/dbraw/zinc/84/08/49/1012840849.db2.gz GSWMDPSQPOBFTJ-SMDDNHRTSA-N 1 0 312.370 0.984 20 5 DCBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001460406895 1012903576 /nfs/dbraw/zinc/90/35/76/1012903576.db2.gz QMOZFYUPONYNAX-UHTWSYAYSA-N 1 0 312.370 0.984 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[N@@H+]2C[C@@H](F)C[C@H]2C1 ZINC001460902260 1012988917 /nfs/dbraw/zinc/98/89/17/1012988917.db2.gz QOBVLBMPICTNGB-AAEUAGOBSA-N 1 0 310.329 0.485 20 5 DCBDRO O=C(NCC1([NH2+]C/C=C/Cl)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001500570691 1018497085 /nfs/dbraw/zinc/49/70/85/1018497085.db2.gz JOMPHKHDFDZDJW-HOXXMDGGSA-N 1 0 317.773 0.659 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000294692561 529452534 /nfs/dbraw/zinc/45/25/34/529452534.db2.gz AHLVJCYYSIRRPG-VIFPVBQESA-N 1 0 304.310 0.643 20 5 DCBDRO CN(CC[NH+]1CCCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000162133659 529908042 /nfs/dbraw/zinc/90/80/42/529908042.db2.gz RZQWTLYCMGQMNL-UHFFFAOYSA-N 1 0 310.358 0.529 20 5 DCBDRO CNS(=O)(=O)c1ccc(N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000267067707 290789792 /nfs/dbraw/zinc/78/97/92/290789792.db2.gz QJCGWODOGKFSPE-UHFFFAOYSA-N 1 0 316.383 0.501 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CN(C)CCO1 ZINC000174161773 198300180 /nfs/dbraw/zinc/30/01/80/198300180.db2.gz QUELXWFFANBEIC-ZDUSSCGKSA-N 1 0 309.322 0.550 20 5 DCBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3(O)CCOCC3)CC2)n1 ZINC000332475015 235011925 /nfs/dbraw/zinc/01/19/25/235011925.db2.gz WLTAMTOPTOKJGI-UHFFFAOYSA-N 1 0 310.354 0.970 20 5 DCBDRO COc1cc(CCNC(=O)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000178349072 198852574 /nfs/dbraw/zinc/85/25/74/198852574.db2.gz ZHWDRWDKZOPNLM-LLVKDONJSA-N 1 0 323.349 0.880 20 5 DCBDRO C[N@H+](CC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCSC1 ZINC000159755560 291236476 /nfs/dbraw/zinc/23/64/76/291236476.db2.gz MKHXSGARVXDSHU-SNVBAGLBSA-N 1 0 313.383 0.345 20 5 DCBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)O1 ZINC000566197190 291280683 /nfs/dbraw/zinc/28/06/83/291280683.db2.gz ONSGDTJHNIKNJX-NEPJUHHUSA-N 1 0 323.353 0.461 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419272756 239882289 /nfs/dbraw/zinc/88/22/89/239882289.db2.gz PZGKVLZPFKOLCU-GXSJLCMTSA-N 1 0 322.365 0.791 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420029412 240010847 /nfs/dbraw/zinc/01/08/47/240010847.db2.gz NSRCNXUCDODWDN-SNVBAGLBSA-N 1 0 320.349 0.549 20 5 DCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000420823607 240063352 /nfs/dbraw/zinc/06/33/52/240063352.db2.gz VMSLMOKHFDJZRG-NSHDSACASA-N 1 0 310.358 0.527 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000422749929 240182477 /nfs/dbraw/zinc/18/24/77/240182477.db2.gz BMTNQOJWESCWSF-SECBINFHSA-N 1 0 307.306 0.815 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250128 291345199 /nfs/dbraw/zinc/34/51/99/291345199.db2.gz BLPWHJJWKLFCHB-OCCSQVGLSA-N 1 0 320.349 0.217 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000264798219 204164061 /nfs/dbraw/zinc/16/40/61/204164061.db2.gz URVYVGOCIONYOF-UHFFFAOYSA-N 1 0 309.370 0.632 20 5 DCBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CC(=O)N(C)C1=O ZINC000282538360 217072442 /nfs/dbraw/zinc/07/24/42/217072442.db2.gz RFYOOCZUSGAULF-SNVBAGLBSA-N 1 0 309.326 0.261 20 5 DCBDRO CCc1n[nH]c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265957576 204996621 /nfs/dbraw/zinc/99/66/21/204996621.db2.gz WGMHIROPCAGBGX-SNVBAGLBSA-N 1 0 324.385 0.246 20 5 DCBDRO [NH3+][C@H]1CCc2nc(NC(=O)Cn3cc([N+](=O)[O-])cn3)sc2C1 ZINC000288576130 220251412 /nfs/dbraw/zinc/25/14/12/220251412.db2.gz HXEPMIKEEOGUJM-ZETCQYMHSA-N 1 0 322.350 0.703 20 5 DCBDRO O=C(NCCCN1CC[NH2+]CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000336853818 252805139 /nfs/dbraw/zinc/80/51/39/252805139.db2.gz KITNPOHKCQBKFI-UHFFFAOYSA-N 1 0 310.329 0.759 20 5 DCBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000272936217 210323412 /nfs/dbraw/zinc/32/34/12/210323412.db2.gz OLJGKTYGKHNTFL-UHFFFAOYSA-N 1 0 324.337 0.610 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000347664212 254176424 /nfs/dbraw/zinc/17/64/24/254176424.db2.gz XHWFTYCWYKYAPL-ZETCQYMHSA-N 1 0 314.729 0.441 20 5 DCBDRO CC(C)(C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000351169920 254334280 /nfs/dbraw/zinc/33/42/80/254334280.db2.gz RNENBXKBWLSQEA-DLOVCJGASA-N 1 0 307.354 0.722 20 5 DCBDRO CO[C@@H](C[NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289559342 221066843 /nfs/dbraw/zinc/06/68/43/221066843.db2.gz KXMGTTIWDSROCP-ZDUSSCGKSA-N 1 0 308.338 0.217 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000330779646 533667767 /nfs/dbraw/zinc/66/77/67/533667767.db2.gz WJNUPOITDRFUCX-JTQLQIEISA-N 1 0 324.385 0.240 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000285655467 131190898 /nfs/dbraw/zinc/19/08/98/131190898.db2.gz GFKGCGYFGXJKLS-NWDGAFQWSA-N 1 0 323.353 0.031 20 5 DCBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000032658908 395712444 /nfs/dbraw/zinc/71/24/44/395712444.db2.gz BNFUSDANZSRYNQ-JTQLQIEISA-N 1 0 308.338 0.887 20 5 DCBDRO C[NH+]1CCN(CCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000037497048 395727949 /nfs/dbraw/zinc/72/79/49/395727949.db2.gz GVDFERNERYWSNJ-UHFFFAOYSA-N 1 0 310.383 0.963 20 5 DCBDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 ZINC000102489547 395770510 /nfs/dbraw/zinc/77/05/10/395770510.db2.gz VAWOAMZZGCJAHV-LBPRGKRZSA-N 1 0 309.370 0.983 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093289 395859220 /nfs/dbraw/zinc/85/92/20/395859220.db2.gz XPWNIVCDWKUSON-MRVPVSSYSA-N 1 0 301.324 0.244 20 5 DCBDRO NC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000270677960 395796200 /nfs/dbraw/zinc/79/62/00/395796200.db2.gz MHTNRJHRYIFIQV-CMPLNLGQSA-N 1 0 324.337 0.077 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1COCCN1 ZINC000235775857 395892558 /nfs/dbraw/zinc/89/25/58/395892558.db2.gz YFSFLQPBVRXNBQ-SNVBAGLBSA-N 1 0 315.351 0.170 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000237087554 395902387 /nfs/dbraw/zinc/90/23/87/395902387.db2.gz PNXVJOLKPNDCQQ-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO Cc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237865377 395919945 /nfs/dbraw/zinc/91/99/45/395919945.db2.gz ANNHMKRRAZYZFN-UHFFFAOYSA-N 1 0 306.366 0.928 20 5 DCBDRO C[NH+](C)CCCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273534830 395928072 /nfs/dbraw/zinc/92/80/72/395928072.db2.gz ZVZQQHJUYBIIFD-UHFFFAOYSA-N 1 0 302.356 0.606 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000245708397 395933862 /nfs/dbraw/zinc/93/38/62/395933862.db2.gz OPSUUFBWIYYJNA-QWHCGFSZSA-N 1 0 323.349 0.659 20 5 DCBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cn1 ZINC000273620307 395934405 /nfs/dbraw/zinc/93/44/05/395934405.db2.gz ONHUOAJBOMHWIN-LBPRGKRZSA-N 1 0 322.369 0.739 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000274846014 395981692 /nfs/dbraw/zinc/98/16/92/395981692.db2.gz XKGUZLHDNFNHSK-LLVKDONJSA-N 1 0 310.266 0.303 20 5 DCBDRO CC(C)(C[NH3+])NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000151909402 395995863 /nfs/dbraw/zinc/99/58/63/395995863.db2.gz YVLLSLFLRLFVIR-UHFFFAOYSA-N 1 0 304.306 0.903 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000068321744 396052030 /nfs/dbraw/zinc/05/20/30/396052030.db2.gz PAMZZTMZFFIJGA-UHFFFAOYSA-N 1 0 314.317 0.624 20 5 DCBDRO O=C(CC[N@H+]1C[C@H](O)C[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000249357544 396006589 /nfs/dbraw/zinc/00/65/89/396006589.db2.gz RSUHKHOMLUHFTN-QWHCGFSZSA-N 1 0 309.322 0.351 20 5 DCBDRO C[C@@H]1C[N@@H+](CCCNc2ncc([N+](=O)[O-])c(N)n2)C[C@H](C)O1 ZINC000071951585 396125398 /nfs/dbraw/zinc/12/53/98/396125398.db2.gz JQSLQXRZYURNPX-AOOOYVTPSA-N 1 0 310.358 0.878 20 5 DCBDRO COC[C@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262369614 396130821 /nfs/dbraw/zinc/13/08/21/396130821.db2.gz WNCUZCXKLGNEBT-AWEZNQCLSA-N 1 0 323.349 0.938 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262464513 396143839 /nfs/dbraw/zinc/14/38/39/396143839.db2.gz IUXSADGWWOBREX-AWEZNQCLSA-N 1 0 304.350 0.715 20 5 DCBDRO Nc1nc(N2CCN(c3cc[nH+]cc3)CC2)ncc1[N+](=O)[O-] ZINC000076518346 396205697 /nfs/dbraw/zinc/20/56/97/396205697.db2.gz XTLGBTGSBOAKFS-UHFFFAOYSA-N 1 0 301.310 0.689 20 5 DCBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000178770474 396208191 /nfs/dbraw/zinc/20/81/91/396208191.db2.gz KVNMXEVEGCHENK-SNVBAGLBSA-N 1 0 316.321 0.657 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268140 396200054 /nfs/dbraw/zinc/20/00/54/396200054.db2.gz XPESIEFZWXYHOP-SNVBAGLBSA-N 1 0 309.374 0.405 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000076333646 396202359 /nfs/dbraw/zinc/20/23/59/396202359.db2.gz DIKWKLGHXDUFKT-NSHDSACASA-N 1 0 318.333 0.886 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000077798380 396234049 /nfs/dbraw/zinc/23/40/49/396234049.db2.gz MSPUMSDXBZVYTF-UHFFFAOYSA-N 1 0 322.365 0.851 20 5 DCBDRO C[N@H+](CCOCCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281905710 396248145 /nfs/dbraw/zinc/24/81/45/396248145.db2.gz APSNITFFLHIYKZ-UHFFFAOYSA-N 1 0 311.338 0.864 20 5 DCBDRO C[NH+](C)CCn1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)n1 ZINC000184083238 396284570 /nfs/dbraw/zinc/28/45/70/396284570.db2.gz URJAFMYFWPRVMW-UHFFFAOYSA-N 1 0 319.325 0.582 20 5 DCBDRO NC(=O)c1ccc(SCC(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000269233632 396397771 /nfs/dbraw/zinc/39/77/71/396397771.db2.gz WAYOLXZEOVDWPY-VIFPVBQESA-N 1 0 324.362 0.345 20 5 DCBDRO CO[C@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594716221 396500275 /nfs/dbraw/zinc/50/02/75/396500275.db2.gz MIHPKLUNZZWIRF-SNVBAGLBSA-N 1 0 302.352 0.993 20 5 DCBDRO O=C(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000580887655 396507881 /nfs/dbraw/zinc/50/78/81/396507881.db2.gz CMESHPLQQIYJPA-ZDUSSCGKSA-N 1 0 319.321 0.381 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000579979064 396482810 /nfs/dbraw/zinc/48/28/10/396482810.db2.gz OOZLJYXCDBJRBZ-RKDXNWHRSA-N 1 0 310.335 0.040 20 5 DCBDRO [NH3+]C1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000581251708 396538176 /nfs/dbraw/zinc/53/81/76/396538176.db2.gz HGOPBUBLQXAVCS-UHFFFAOYSA-N 1 0 313.379 0.792 20 5 DCBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000595108481 396549231 /nfs/dbraw/zinc/54/92/31/396549231.db2.gz PWMSNJUWTVGSGT-KOLCDFICSA-N 1 0 314.367 0.738 20 5 DCBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000595108506 396549295 /nfs/dbraw/zinc/54/92/95/396549295.db2.gz PWMSNJUWTVGSGT-ONGXEEELSA-N 1 0 314.367 0.738 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)CC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000595115507 396550663 /nfs/dbraw/zinc/55/06/63/396550663.db2.gz GSOPQUQZYVQEHK-UHFFFAOYSA-N 1 0 317.367 0.961 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000581548882 396564467 /nfs/dbraw/zinc/56/44/67/396564467.db2.gz ZDXJHWILOUAYKD-YPMHNXCESA-N 1 0 324.337 0.186 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000595245501 396569474 /nfs/dbraw/zinc/56/94/74/396569474.db2.gz SROCBJVPWOCLDH-SECBINFHSA-N 1 0 308.338 0.874 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CC1)OCCCO2 ZINC000292957140 396578501 /nfs/dbraw/zinc/57/85/01/396578501.db2.gz JEQRBLHIXJEEBN-UHFFFAOYSA-N 1 0 323.349 0.986 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000595281280 396578806 /nfs/dbraw/zinc/57/88/06/396578806.db2.gz GBNHOKQNTQYMHP-UHFFFAOYSA-N 1 0 322.365 0.715 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000373625754 396604388 /nfs/dbraw/zinc/60/43/88/396604388.db2.gz XAISGKCODAXCAQ-NWDGAFQWSA-N 1 0 323.305 0.697 20 5 DCBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)[N@H+]1C ZINC000293899396 396640446 /nfs/dbraw/zinc/64/04/46/396640446.db2.gz FEHJXLIUNLIOLQ-PHIMTYICSA-N 1 0 308.338 0.308 20 5 DCBDRO CN(C(=O)CNC1(CO)CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000595903598 396680468 /nfs/dbraw/zinc/68/04/68/396680468.db2.gz YJDBXFMBBZTXNE-UHFFFAOYSA-N 1 0 322.365 0.262 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000588864491 396697224 /nfs/dbraw/zinc/69/72/24/396697224.db2.gz KIVRDOGDEPSCIQ-JTQLQIEISA-N 1 0 301.730 0.901 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000595983436 396702718 /nfs/dbraw/zinc/70/27/18/396702718.db2.gz NWGRGVLZOPPHAC-MRVPVSSYSA-N 1 0 315.351 0.336 20 5 DCBDRO O=c1[nH]ccc(N2CC[NH+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000596148331 396724327 /nfs/dbraw/zinc/72/43/27/396724327.db2.gz DAWJLDRWIQAZCL-UHFFFAOYSA-N 1 0 308.338 0.996 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000314582496 396783340 /nfs/dbraw/zinc/78/33/40/396783340.db2.gz PRIWIZGTSWJWFI-RISCZKNCSA-N 1 0 309.370 0.226 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CC[NH2+]CC2)c1 ZINC000316542204 396795915 /nfs/dbraw/zinc/79/59/15/396795915.db2.gz JFNHZPAIOPVADQ-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO CC(C)C[NH2+]C1(CO)CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000596252866 396745573 /nfs/dbraw/zinc/74/55/73/396745573.db2.gz MBJFXXQPULNQJE-UHFFFAOYSA-N 1 0 311.386 0.905 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600315871 396796974 /nfs/dbraw/zinc/79/69/74/396796974.db2.gz WILIILXLJPJVKY-GFCCVEGCSA-N 1 0 309.370 0.948 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCc2cn[nH]c2)cc1 ZINC000563617338 396760416 /nfs/dbraw/zinc/76/04/16/396760416.db2.gz AUPZFTKDBKZPRF-UHFFFAOYSA-N 1 0 324.362 0.924 20 5 DCBDRO CN1CC[NH+](CC2CN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000590400256 396771944 /nfs/dbraw/zinc/77/19/44/396771944.db2.gz RWUZALOXDMFDCH-UHFFFAOYSA-N 1 0 318.377 0.914 20 5 DCBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000564353537 396829245 /nfs/dbraw/zinc/82/92/45/396829245.db2.gz CZYHSZNRSKQRKS-NSHDSACASA-N 1 0 322.365 0.320 20 5 DCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000611201375 396833368 /nfs/dbraw/zinc/83/33/68/396833368.db2.gz NEVMWVQBUHHXEX-CQSZACIVSA-N 1 0 304.350 0.601 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000375999545 396860299 /nfs/dbraw/zinc/86/02/99/396860299.db2.gz YZOVAGJTJFGFAL-CQSZACIVSA-N 1 0 315.333 0.795 20 5 DCBDRO Cc1cc(S(=O)(=O)NCC[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590589625 396805699 /nfs/dbraw/zinc/80/56/99/396805699.db2.gz QAVVCPXHRAFPTF-UHFFFAOYSA-N 1 0 305.331 0.882 20 5 DCBDRO Cc1c(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000572016424 397014570 /nfs/dbraw/zinc/01/45/70/397014570.db2.gz VDVVJHJHOQIMCI-STQMWFEESA-N 1 0 304.350 0.647 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597653500 397045375 /nfs/dbraw/zinc/04/53/75/397045375.db2.gz KCDLTDJTCBDXGF-LBPRGKRZSA-N 1 0 309.366 0.911 20 5 DCBDRO CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000592308181 397149300 /nfs/dbraw/zinc/14/93/00/397149300.db2.gz ADKOACTYHBHBTQ-LBPRGKRZSA-N 1 0 308.338 0.075 20 5 DCBDRO CC1([NH3+])CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000592379197 397163571 /nfs/dbraw/zinc/16/35/71/397163571.db2.gz JQQLNWVWVREGOL-UHFFFAOYSA-N 1 0 300.340 0.492 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000592381575 397164045 /nfs/dbraw/zinc/16/40/45/397164045.db2.gz WSWZVRVQBBNSBQ-QMMMGPOBSA-N 1 0 303.340 0.477 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCC[NH3+] ZINC000592471460 397185585 /nfs/dbraw/zinc/18/55/85/397185585.db2.gz HHOWTKUAPJPNMT-JTQLQIEISA-N 1 0 308.338 0.520 20 5 DCBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592478746 397187628 /nfs/dbraw/zinc/18/76/28/397187628.db2.gz JUMJHMGLFIWFQM-JYAVWHMHSA-N 1 0 316.361 0.709 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598662476 397270104 /nfs/dbraw/zinc/27/01/04/397270104.db2.gz PGQLXKULPPJPDY-NSHDSACASA-N 1 0 321.337 0.537 20 5 DCBDRO CC[NH2+]CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598661871 397270221 /nfs/dbraw/zinc/27/02/21/397270221.db2.gz LBLAUQOKINFGPC-UHFFFAOYSA-N 1 0 309.326 0.442 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598667594 397272233 /nfs/dbraw/zinc/27/22/33/397272233.db2.gz GXHVGOIWIVFKJF-SECBINFHSA-N 1 0 309.326 0.440 20 5 DCBDRO CC(C)(CC[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598669253 397272324 /nfs/dbraw/zinc/27/23/24/397272324.db2.gz YGBVFCPNSZDYFM-UHFFFAOYSA-N 1 0 323.353 0.960 20 5 DCBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000577268200 397317848 /nfs/dbraw/zinc/31/78/48/397317848.db2.gz YZCGNTCTTZFSRB-VIFPVBQESA-N 1 0 324.312 0.870 20 5 DCBDRO O=c1[nH]cnc2cc(NCC[N@H+]3CC[C@H](O)C3)c([N+](=O)[O-])cc12 ZINC000599202275 397362167 /nfs/dbraw/zinc/36/21/67/397362167.db2.gz OLFUAYSPOMVOOZ-VIFPVBQESA-N 1 0 319.321 0.722 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CN1CC[NH2+]CC1 ZINC000602446183 397404108 /nfs/dbraw/zinc/40/41/08/397404108.db2.gz XHPYEIPDKXOXAV-UHFFFAOYSA-N 1 0 308.338 0.125 20 5 DCBDRO COCCC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599507274 397461760 /nfs/dbraw/zinc/46/17/60/397461760.db2.gz VCGRKPSOKNVDCC-CQSZACIVSA-N 1 0 312.370 0.901 20 5 DCBDRO C[NH+](C)CC[C@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000593902802 397473510 /nfs/dbraw/zinc/47/35/10/397473510.db2.gz WRVUSZFGLIANPP-NSHDSACASA-N 1 0 309.370 0.402 20 5 DCBDRO COc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000578787551 397486538 /nfs/dbraw/zinc/48/65/38/397486538.db2.gz SCGFXEQGWBPVOI-VXGBXAGGSA-N 1 0 320.349 0.347 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000602890192 397513804 /nfs/dbraw/zinc/51/38/04/397513804.db2.gz XJHLJHLQMAMCGV-RYUDHWBXSA-N 1 0 307.354 0.700 20 5 DCBDRO [NH3+][C@@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000578986770 397509921 /nfs/dbraw/zinc/50/99/21/397509921.db2.gz XWEZILFYVSKXOL-NSHDSACASA-N 1 0 307.306 0.833 20 5 DCBDRO COc1cc(C(=O)N2CCC(O)(C[NH3+])CC2)cc([N+](=O)[O-])c1C ZINC000579590792 397583021 /nfs/dbraw/zinc/58/30/21/397583021.db2.gz GJHVYEWWIBSQFT-UHFFFAOYSA-N 1 0 323.349 0.838 20 5 DCBDRO CSC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602920483 397523540 /nfs/dbraw/zinc/52/35/40/397523540.db2.gz OTUMQPVJZPWPCJ-LLVKDONJSA-N 1 0 300.384 0.980 20 5 DCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])C1 ZINC000609269903 397768280 /nfs/dbraw/zinc/76/82/80/397768280.db2.gz ZJOLDIZGXFOKPD-SNVBAGLBSA-N 1 0 311.342 0.467 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]([NH3+])C(C)C ZINC000070447673 158047867 /nfs/dbraw/zinc/04/78/67/158047867.db2.gz ZTQLLJRCZYRJNM-JTQLQIEISA-N 1 0 317.367 0.865 20 5 DCBDRO C[N@H+](CCC1CCOCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120649681 158201923 /nfs/dbraw/zinc/20/19/23/158201923.db2.gz YVKABHJIZLHWAT-AWEZNQCLSA-N 1 0 312.370 0.901 20 5 DCBDRO CN(C)S(=O)(=O)c1ccc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000125881697 158260934 /nfs/dbraw/zinc/26/09/34/158260934.db2.gz IMANGICCNKACJZ-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000126194034 158263591 /nfs/dbraw/zinc/26/35/91/158263591.db2.gz ZWWYYVYHYWHOQX-LBPRGKRZSA-N 1 0 322.365 0.747 20 5 DCBDRO O=C([C@H]1CCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000166032241 158366168 /nfs/dbraw/zinc/36/61/68/158366168.db2.gz JNXRYWQFJFPVFE-CMPLNLGQSA-N 1 0 305.338 0.755 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171452484 158382909 /nfs/dbraw/zinc/38/29/09/158382909.db2.gz HTPJAJUEHJEIKG-LBPRGKRZSA-N 1 0 307.354 0.878 20 5 DCBDRO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000261841132 158744695 /nfs/dbraw/zinc/74/46/95/158744695.db2.gz VQNRBGPZLLBAGB-MRVPVSSYSA-N 1 0 303.340 0.490 20 5 DCBDRO CCC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330440642 159173346 /nfs/dbraw/zinc/17/33/46/159173346.db2.gz DFACHALYUMDIBC-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000367822134 159357985 /nfs/dbraw/zinc/35/79/85/159357985.db2.gz KFWWXKFFVWAOKA-HIFRSBDPSA-N 1 0 324.381 0.901 20 5 DCBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000376441263 159858307 /nfs/dbraw/zinc/85/83/07/159858307.db2.gz KVFZIXWKKITJAZ-AAEUAGOBSA-N 1 0 307.354 0.877 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)n1 ZINC000408370124 160093661 /nfs/dbraw/zinc/09/36/61/160093661.db2.gz HFPWTCYCZPHIOK-QWRGUYRKSA-N 1 0 307.354 0.977 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000419146853 287268032 /nfs/dbraw/zinc/26/80/32/287268032.db2.gz IRRFZQMCSQPIPD-JTQLQIEISA-N 1 0 306.322 0.204 20 5 DCBDRO Cc1c(NC(=O)CCN(CC[NH3+])CCO)cccc1[N+](=O)[O-] ZINC000342403632 415165543 /nfs/dbraw/zinc/16/55/43/415165543.db2.gz VISYFEXUOWOWQH-UHFFFAOYSA-N 1 0 310.354 0.485 20 5 DCBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1COC[C@H]1O ZINC000352808447 415334699 /nfs/dbraw/zinc/33/46/99/415334699.db2.gz YKADUNYRCRJETJ-FPMFFAJLSA-N 1 0 312.322 0.026 20 5 DCBDRO CC[N@H+](C)CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066959321 415371723 /nfs/dbraw/zinc/37/17/23/415371723.db2.gz HBVKHPARVBITMW-NSHDSACASA-N 1 0 322.365 0.781 20 5 DCBDRO COC(=O)c1cnc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000276612748 415477274 /nfs/dbraw/zinc/47/72/74/415477274.db2.gz COWGMHBKQYQRPM-UHFFFAOYSA-N 1 0 324.337 0.281 20 5 DCBDRO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343477749 415610335 /nfs/dbraw/zinc/61/03/35/415610335.db2.gz SRLGJWOSOVTBOF-QWHCGFSZSA-N 1 0 322.413 0.791 20 5 DCBDRO CC(C)CN(CC[NH+](C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000344146444 415851494 /nfs/dbraw/zinc/85/14/94/415851494.db2.gz YUQMCOJFMKSCOH-UHFFFAOYSA-N 1 0 324.381 0.803 20 5 DCBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1[NH+]1CCCC1 ZINC000356114972 415871634 /nfs/dbraw/zinc/87/16/34/415871634.db2.gz JFLXVCIXMRWDFU-MNOVXSKESA-N 1 0 324.410 0.983 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344419378 415912501 /nfs/dbraw/zinc/91/25/01/415912501.db2.gz NADJVULLXVKXMP-LLVKDONJSA-N 1 0 307.354 0.989 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000337296486 415939039 /nfs/dbraw/zinc/93/90/39/415939039.db2.gz JNSSGGJMIQRUMK-LBPRGKRZSA-N 1 0 306.322 0.744 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)[NH+](C)C ZINC000298614854 416018567 /nfs/dbraw/zinc/01/85/67/416018567.db2.gz YLCSPRSNFNNXGV-JTQLQIEISA-N 1 0 308.338 0.908 20 5 DCBDRO CNC(=O)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170792144 416032593 /nfs/dbraw/zinc/03/25/93/416032593.db2.gz GTUGKCRLETXYCV-JTQLQIEISA-N 1 0 308.338 0.990 20 5 DCBDRO CCN1CC[NH+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000345443307 416097153 /nfs/dbraw/zinc/09/71/53/416097153.db2.gz YLNIWUCHAHBSQH-UHFFFAOYSA-N 1 0 324.385 0.465 20 5 DCBDRO [NH3+]CCCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000357798201 416134090 /nfs/dbraw/zinc/13/40/90/416134090.db2.gz REPXZUPZMMFYFI-SNVBAGLBSA-N 1 0 324.337 0.648 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177774834 416151868 /nfs/dbraw/zinc/15/18/68/416151868.db2.gz GJXIXYZNWXHJFI-OCCSQVGLSA-N 1 0 309.370 0.322 20 5 DCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000345967338 416177352 /nfs/dbraw/zinc/17/73/52/416177352.db2.gz SAVVFXMKRWJVOR-VXGBXAGGSA-N 1 0 322.365 0.698 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358140921 416200271 /nfs/dbraw/zinc/20/02/71/416200271.db2.gz PHVWSHXXCZHQSZ-ZDUSSCGKSA-N 1 0 312.301 0.922 20 5 DCBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330642636 416221558 /nfs/dbraw/zinc/22/15/58/416221558.db2.gz FCPGEMGDARGOKX-MNOVXSKESA-N 1 0 310.358 0.423 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@H]2C1 ZINC000192531848 416306967 /nfs/dbraw/zinc/30/69/67/416306967.db2.gz RIZSRRXWCJEJHH-PHIMTYICSA-N 1 0 319.317 0.957 20 5 DCBDRO COc1cccc(C(=O)NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000192820778 416311166 /nfs/dbraw/zinc/31/11/66/416311166.db2.gz BJKNRSMPGXEXRV-AWEZNQCLSA-N 1 0 311.338 0.646 20 5 DCBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000359203155 416312761 /nfs/dbraw/zinc/31/27/61/416312761.db2.gz CJICVZUBQXJAIT-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359306001 416320498 /nfs/dbraw/zinc/32/04/98/416320498.db2.gz MRUUTUJDKOUMLJ-VXGBXAGGSA-N 1 0 304.350 0.993 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415411301 416341947 /nfs/dbraw/zinc/34/19/47/416341947.db2.gz LIOZJFAKWSOBDV-SECBINFHSA-N 1 0 308.338 0.813 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415544739 416346686 /nfs/dbraw/zinc/34/66/86/416346686.db2.gz HRJJPCFNCJIFOE-UHFFFAOYSA-N 1 0 308.338 0.828 20 5 DCBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415659290 416350423 /nfs/dbraw/zinc/35/04/23/416350423.db2.gz VZMDCLUSRQSCHA-VHSXEESVSA-N 1 0 306.322 0.919 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415763331 416353514 /nfs/dbraw/zinc/35/35/14/416353514.db2.gz QUGDBHZPVALUBC-PJXYFTJBSA-N 1 0 318.333 0.430 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000415850608 416356098 /nfs/dbraw/zinc/35/60/98/416356098.db2.gz XMPFEWMKKBCKQW-CPCISQLKSA-N 1 0 310.285 0.478 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000194873606 416324986 /nfs/dbraw/zinc/32/49/86/416324986.db2.gz GRSJPGJJRFIQCS-VIFPVBQESA-N 1 0 322.321 0.746 20 5 DCBDRO O=C(NCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1F ZINC000237718852 416328688 /nfs/dbraw/zinc/32/86/88/416328688.db2.gz RNPZXHZFCMWIRT-UHFFFAOYSA-N 1 0 310.329 0.759 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000360284756 416384164 /nfs/dbraw/zinc/38/41/64/416384164.db2.gz GQNYXBRVPPQLFM-UHFFFAOYSA-N 1 0 322.365 0.539 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361112945 416421405 /nfs/dbraw/zinc/42/14/05/416421405.db2.gz WMJWJFKHEPAHKN-RYUDHWBXSA-N 1 0 307.354 0.604 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000423309751 416489876 /nfs/dbraw/zinc/48/98/76/416489876.db2.gz QOVZMLLMQXEFKJ-LBPRGKRZSA-N 1 0 318.333 0.039 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548715831 416691738 /nfs/dbraw/zinc/69/17/38/416691738.db2.gz CMTRRALSBIPLBA-JTQLQIEISA-N 1 0 307.354 0.986 20 5 DCBDRO CN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000516465382 416724844 /nfs/dbraw/zinc/72/48/44/416724844.db2.gz UICPBIUZCZRYAZ-LBPRGKRZSA-N 1 0 308.338 0.075 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000516925772 416756679 /nfs/dbraw/zinc/75/66/79/416756679.db2.gz DQPUSGRGPUABAK-WDEREUQCSA-N 1 0 324.385 0.648 20 5 DCBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000559051647 416799619 /nfs/dbraw/zinc/79/96/19/416799619.db2.gz ISJVVGVKFJTXMU-JTQLQIEISA-N 1 0 323.353 0.643 20 5 DCBDRO CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693547 416816041 /nfs/dbraw/zinc/81/60/41/416816041.db2.gz TZXAPRRWYWUBQU-VIFPVBQESA-N 1 0 324.341 0.272 20 5 DCBDRO CC[NH2+]CCNC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000429101126 287334772 /nfs/dbraw/zinc/33/47/72/287334772.db2.gz RCBUMTIXTAXZAQ-SNVBAGLBSA-N 1 0 312.374 0.553 20 5 DCBDRO CC[N@H+](C)C[C@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000565904492 417033322 /nfs/dbraw/zinc/03/33/22/417033322.db2.gz PBNLDQFGGKXQTA-LBPRGKRZSA-N 1 0 322.321 0.724 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000447241558 416971100 /nfs/dbraw/zinc/97/11/00/416971100.db2.gz BBGCJRLSDQPOHD-MRVPVSSYSA-N 1 0 303.340 0.477 20 5 DCBDRO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000565700494 417007248 /nfs/dbraw/zinc/00/72/48/417007248.db2.gz XGIZDCLILQXYDQ-SNVBAGLBSA-N 1 0 316.383 0.998 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000521462870 417012819 /nfs/dbraw/zinc/01/28/19/417012819.db2.gz PCSPYSHJEYGTKC-JGVFFNPUSA-N 1 0 310.335 0.040 20 5 DCBDRO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000522000338 417041250 /nfs/dbraw/zinc/04/12/50/417041250.db2.gz ORJRQVRCXNEVTH-ZWNOBZJWSA-N 1 0 323.353 0.676 20 5 DCBDRO O=C1[C@H](N2CCC[NH2+]CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000430967793 417092819 /nfs/dbraw/zinc/09/28/19/417092819.db2.gz UYXPCTZYBFKGBM-CQSZACIVSA-N 1 0 304.350 0.995 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000449583911 417152109 /nfs/dbraw/zinc/15/21/09/417152109.db2.gz BXPLONCZBNXVIH-ZJUUUORDSA-N 1 0 323.353 0.246 20 5 DCBDRO C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000449583910 417152245 /nfs/dbraw/zinc/15/22/45/417152245.db2.gz BXPLONCZBNXVIH-VHSXEESVSA-N 1 0 323.353 0.246 20 5 DCBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000568627157 417157682 /nfs/dbraw/zinc/15/76/82/417157682.db2.gz ZCXGOSXZEKXADU-DTORHVGOSA-N 1 0 305.290 0.615 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000415290651 417358167 /nfs/dbraw/zinc/35/81/67/417358167.db2.gz DKNIXFCLKDOQFL-SNVBAGLBSA-N 1 0 306.322 0.710 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415317654 417364898 /nfs/dbraw/zinc/36/48/98/417364898.db2.gz PVYRJZHFDZBSKT-LLVKDONJSA-N 1 0 320.349 0.964 20 5 DCBDRO O=C1NC(=O)[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000451625446 417365843 /nfs/dbraw/zinc/36/58/43/417365843.db2.gz POWZSORERAHTGE-TXEJJXNPSA-N 1 0 305.290 0.178 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@@H]21 ZINC000451632326 417368869 /nfs/dbraw/zinc/36/88/69/417368869.db2.gz OHYJCIFQPGRZBC-OCCSQVGLSA-N 1 0 304.350 0.830 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000415366085 417373450 /nfs/dbraw/zinc/37/34/50/417373450.db2.gz DKNIXFCLKDOQFL-JTQLQIEISA-N 1 0 306.322 0.710 20 5 DCBDRO O=C1CCCN1[C@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000531109480 417606338 /nfs/dbraw/zinc/60/63/38/417606338.db2.gz GVVBHDNIRMOZLN-LBPRGKRZSA-N 1 0 307.354 0.878 20 5 DCBDRO C[C@H]1COCC[N@@H+]1C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000576766857 417634907 /nfs/dbraw/zinc/63/49/07/417634907.db2.gz YWOXIHWEXYOMDR-ZDUSSCGKSA-N 1 0 323.397 0.976 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000301990208 230022987 /nfs/dbraw/zinc/02/29/87/230022987.db2.gz MBUGWQJGTMAAEM-LLVKDONJSA-N 1 0 319.369 0.685 20 5 DCBDRO C[C@@H](c1nnnn1C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000189677769 261132635 /nfs/dbraw/zinc/13/26/35/261132635.db2.gz BFNVSQSAFNWSPB-UWVGGRQHSA-N 1 0 318.341 0.761 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](CC3CC3)CC2)c1 ZINC000304306075 261173953 /nfs/dbraw/zinc/17/39/53/261173953.db2.gz JHYSORHFXZBOJN-AWEZNQCLSA-N 1 0 309.370 0.180 20 5 DCBDRO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000363410465 262114717 /nfs/dbraw/zinc/11/47/17/262114717.db2.gz FTSHSPSJUIMFMA-NEPJUHHUSA-N 1 0 309.370 0.672 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000394076089 262161878 /nfs/dbraw/zinc/16/18/78/262161878.db2.gz PYGQTMXQGGVGHO-SNVBAGLBSA-N 1 0 312.757 0.882 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000417908036 262264917 /nfs/dbraw/zinc/26/49/17/262264917.db2.gz HXMQNNPZKYMRFU-RAIGVLPGSA-N 1 0 322.369 0.560 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417913668 262265013 /nfs/dbraw/zinc/26/50/13/262265013.db2.gz QHBZNNYFHOHLMB-PWSUYJOCSA-N 1 0 310.358 0.703 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418578098 262282946 /nfs/dbraw/zinc/28/29/46/262282946.db2.gz ZPHFPMAKJVGZCF-JTQLQIEISA-N 1 0 308.342 0.169 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419158781 262314875 /nfs/dbraw/zinc/31/48/75/262314875.db2.gz YGENEMSMMAHIMZ-JBLDHEPKSA-N 1 0 320.349 0.578 20 5 DCBDRO C[NH2+][C@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420277640 262369286 /nfs/dbraw/zinc/36/92/86/262369286.db2.gz UGKNBLFHIUAHCL-NSHDSACASA-N 1 0 313.379 0.662 20 5 DCBDRO CO[C@@](C)([C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000411946999 271234050 /nfs/dbraw/zinc/23/40/50/271234050.db2.gz LWJBPQQBQHTWGV-HONMWMINSA-N 1 0 312.370 0.945 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419866211 271335840 /nfs/dbraw/zinc/33/58/40/271335840.db2.gz PWGFGCKXOQROAK-GFCCVEGCSA-N 1 0 320.349 0.407 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000422864402 271390390 /nfs/dbraw/zinc/39/03/90/271390390.db2.gz UYJDJPQVKMWRII-GFCCVEGCSA-N 1 0 320.349 0.487 20 5 DCBDRO O=C(COC1CC[NH2+]CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000422931701 271393440 /nfs/dbraw/zinc/39/34/40/271393440.db2.gz CNJFDRGHEPACGF-UHFFFAOYSA-N 1 0 322.365 0.892 20 5 DCBDRO [NH3+]CCNS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000440354335 271651966 /nfs/dbraw/zinc/65/19/66/271651966.db2.gz ZQERQXYAHOJXQO-UHFFFAOYSA-N 1 0 324.156 0.594 20 5 DCBDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459786597 272008595 /nfs/dbraw/zinc/00/85/95/272008595.db2.gz BUVCWVQFJUCCNX-COPLHBTASA-N 1 0 312.322 0.338 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000490320757 272073141 /nfs/dbraw/zinc/07/31/41/272073141.db2.gz RXXAAJJTIFWIPD-WDEREUQCSA-N 1 0 310.358 0.573 20 5 DCBDRO CN1C[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)OC1=O ZINC000495662820 272263884 /nfs/dbraw/zinc/26/38/84/272263884.db2.gz XGFHLYZYEHFGPB-NSHDSACASA-N 1 0 309.326 0.879 20 5 DCBDRO O=C1C[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CN1 ZINC000514931866 272412358 /nfs/dbraw/zinc/41/23/58/272412358.db2.gz APKJTJXYLXUVPQ-ZYHUDNBSSA-N 1 0 309.322 0.060 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CCN2C1=O ZINC000519710637 287679900 /nfs/dbraw/zinc/67/99/00/287679900.db2.gz NEAAKMIOBXVQNJ-JGVFFNPUSA-N 1 0 322.350 0.052 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261919122 276442457 /nfs/dbraw/zinc/44/24/57/276442457.db2.gz IRKPLAFTAAABIS-GHMZBOCLSA-N 1 0 324.385 0.681 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052783439 277037290 /nfs/dbraw/zinc/03/72/90/277037290.db2.gz DAKFZFSZCMMIJC-VIFPVBQESA-N 1 0 314.367 0.301 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273931190 277056316 /nfs/dbraw/zinc/05/63/16/277056316.db2.gz KQTOZJXJLDJRAR-GFCCVEGCSA-N 1 0 320.353 0.128 20 5 DCBDRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000547859041 288084949 /nfs/dbraw/zinc/08/49/49/288084949.db2.gz CASLJOIDMJWABS-UHFFFAOYSA-N 1 0 324.381 0.866 20 5 DCBDRO Cn1c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000560506432 288508481 /nfs/dbraw/zinc/50/84/81/288508481.db2.gz XUSCSTOJNWXIFQ-AWEZNQCLSA-N 1 0 308.338 0.120 20 5 DCBDRO CC(C)([NH3+])CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561263665 288536967 /nfs/dbraw/zinc/53/69/67/288536967.db2.gz GKHBNDQCBLTHJV-UHFFFAOYSA-N 1 0 320.349 0.333 20 5 DCBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000564856852 288778579 /nfs/dbraw/zinc/77/85/79/288778579.db2.gz YZVCQUGXEGKESF-NOZJJQNGSA-N 1 0 323.353 0.978 20 5 DCBDRO CN(CCC[NH3+])C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000565763355 288876034 /nfs/dbraw/zinc/87/60/34/288876034.db2.gz QHSBFQYEYJPCLQ-UHFFFAOYSA-N 1 0 314.729 0.994 20 5 DCBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000234962224 295196456 /nfs/dbraw/zinc/19/64/56/295196456.db2.gz IZDPGMQGZQHBCG-SCZZXKLOSA-N 1 0 315.351 0.571 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000582121923 333301356 /nfs/dbraw/zinc/30/13/56/333301356.db2.gz POGUOUKUEXDJBJ-BDAKNGLRSA-N 1 0 300.340 0.348 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000582121926 333301614 /nfs/dbraw/zinc/30/16/14/333301614.db2.gz POGUOUKUEXDJBJ-RKDXNWHRSA-N 1 0 300.340 0.348 20 5 DCBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000582895431 337212253 /nfs/dbraw/zinc/21/22/53/337212253.db2.gz UXVNVFFLRMZKFC-ZWNOBZJWSA-N 1 0 320.349 0.325 20 5 DCBDRO CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1[NH+](C)C ZINC000332655676 534119976 /nfs/dbraw/zinc/11/99/76/534119976.db2.gz DVCGDJDIUQPDBB-UWVGGRQHSA-N 1 0 313.383 0.446 20 5 DCBDRO CCOCC[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000159811274 519919314 /nfs/dbraw/zinc/91/93/14/519919314.db2.gz PSPUCDGUTGBEEC-UHFFFAOYSA-N 1 0 324.381 0.411 20 5 DCBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000266318780 521488527 /nfs/dbraw/zinc/48/85/27/521488527.db2.gz RPYUDJIMMMZQBH-LBPRGKRZSA-N 1 0 309.370 0.982 20 5 DCBDRO COc1cc(OCC(=O)N2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000237225028 522889907 /nfs/dbraw/zinc/88/99/07/522889907.db2.gz QTPZZBQNEVHFQZ-UHFFFAOYSA-N 1 0 309.322 0.932 20 5 DCBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157645455 523629927 /nfs/dbraw/zinc/62/99/27/523629927.db2.gz KZUQQKCUUVURIY-QMMMGPOBSA-N 1 0 303.315 0.716 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264482962 524620201 /nfs/dbraw/zinc/62/02/01/524620201.db2.gz WUMVXTJKPRMOKR-LBPRGKRZSA-N 1 0 306.366 0.961 20 5 DCBDRO Cc1cc(F)cc(C(=O)NCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000237658238 524936912 /nfs/dbraw/zinc/93/69/12/524936912.db2.gz TXTGGGBXXOFJOU-UHFFFAOYSA-N 1 0 310.329 0.677 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237551690 525345600 /nfs/dbraw/zinc/34/56/00/525345600.db2.gz PMKPFBAODOBESB-RNCFNFMXSA-N 1 0 320.349 0.567 20 5 DCBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000157389791 525574911 /nfs/dbraw/zinc/57/49/11/525574911.db2.gz ZWOQDWYGNBFTFY-JTQLQIEISA-N 1 0 315.351 0.170 20 5 DCBDRO Cc1c(C(=O)N2CC[C@H]([NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237766528 525591223 /nfs/dbraw/zinc/59/12/23/525591223.db2.gz LJGCELLCRXIXHM-JTQLQIEISA-N 1 0 316.321 0.657 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000157374990 526087356 /nfs/dbraw/zinc/08/73/56/526087356.db2.gz JCRRTFKLVPOEDL-NSHDSACASA-N 1 0 315.351 0.170 20 5 DCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237982062 527231905 /nfs/dbraw/zinc/23/19/05/527231905.db2.gz PLAWVIFXOPHZOY-PWSUYJOCSA-N 1 0 308.338 0.390 20 5 DCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1[NH+](C)C ZINC000820778065 606803828 /nfs/dbraw/zinc/80/38/28/606803828.db2.gz UZKAZMJMXDZCBR-GZMMTYOYSA-N 1 0 318.341 0.556 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000934261996 658248178 /nfs/dbraw/zinc/24/81/78/658248178.db2.gz HCAGSIOGZRNNRJ-ZIAGYGMSSA-N 1 0 309.370 0.322 20 5 DCBDRO C[NH+](C)C[C@@H](O)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000725788120 658891960 /nfs/dbraw/zinc/89/19/60/658891960.db2.gz LHNHVFXILNXKFB-JTQLQIEISA-N 1 0 308.338 0.814 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892784249 659454635 /nfs/dbraw/zinc/45/46/35/659454635.db2.gz HDBGVUUJULQVBM-AWEZNQCLSA-N 1 0 307.354 0.700 20 5 DCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000262025379 661966077 /nfs/dbraw/zinc/96/60/77/661966077.db2.gz YDHSGNVIADCCNX-SECBINFHSA-N 1 0 310.310 0.115 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COCO3)CC2)cn1 ZINC000894884164 662026185 /nfs/dbraw/zinc/02/61/85/662026185.db2.gz DEWLWDQLMYOMOQ-ZDUSSCGKSA-N 1 0 308.338 0.921 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000895008940 662043825 /nfs/dbraw/zinc/04/38/25/662043825.db2.gz KDNMODNRGHWBFS-CQSZACIVSA-N 1 0 305.338 0.745 20 5 DCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895798983 662218229 /nfs/dbraw/zinc/21/82/29/662218229.db2.gz NLCGIPIEUQGTHG-AWEZNQCLSA-N 1 0 305.334 0.932 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896580132 662295604 /nfs/dbraw/zinc/29/56/04/662295604.db2.gz KOFGWRVIINSSHR-RISCZKNCSA-N 1 0 306.366 0.959 20 5 DCBDRO CN1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@H+](C)CC1 ZINC000897098919 662393723 /nfs/dbraw/zinc/39/37/23/662393723.db2.gz JGUVTMBKAHNWBH-UHFFFAOYSA-N 1 0 320.353 0.815 20 5 DCBDRO O=C(NCC1=CC[N@H+](CC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000676252 665915281 /nfs/dbraw/zinc/91/52/81/665915281.db2.gz ZSXPHCXZWHOQPL-HUUCEWRRSA-N 1 0 323.393 0.827 20 5 DCBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000898843113 663110378 /nfs/dbraw/zinc/11/03/78/663110378.db2.gz AXUCRURLEFGZHN-GHMZBOCLSA-N 1 0 307.354 0.780 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC(Cc3ccoc3)C2)c1 ZINC000899916809 663200457 /nfs/dbraw/zinc/20/04/57/663200457.db2.gz PSHFWHZYOOHJLL-CQSZACIVSA-N 1 0 306.322 0.920 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@]2(C)C1 ZINC000900750049 663278914 /nfs/dbraw/zinc/27/89/14/663278914.db2.gz FUWWMWUXDCTSKZ-OTYXRUKQSA-N 1 0 306.322 0.719 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000901217974 663331179 /nfs/dbraw/zinc/33/11/79/663331179.db2.gz JLWMULDUNAAYPK-WBMJQRKESA-N 1 0 319.361 0.935 20 5 DCBDRO O=[N+]([O-])CC[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000905110892 663531833 /nfs/dbraw/zinc/53/18/33/663531833.db2.gz PNCKZRUCGCXHAF-UHFFFAOYSA-N 1 0 301.315 0.117 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000912612476 664196008 /nfs/dbraw/zinc/19/60/08/664196008.db2.gz QCOMRNZRLSIZKM-YVMONPNESA-N 1 0 307.350 0.991 20 5 DCBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903973 664246253 /nfs/dbraw/zinc/24/62/53/664246253.db2.gz NGZXWUDICSPTBQ-UONOGXRCSA-N 1 0 305.334 0.935 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@]3(C)C[NH+](C)C[C@@]3(C)C2)n1 ZINC000913284101 664297807 /nfs/dbraw/zinc/29/78/07/664297807.db2.gz MKIRRIHALIMLJF-KBPBESRZSA-N 1 0 307.354 0.742 20 5 DCBDRO O=C(NC12CC[NH+](CC1)C2)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000913627044 664708231 /nfs/dbraw/zinc/70/82/31/664708231.db2.gz RVOIYHLDBNCJPY-UHFFFAOYSA-N 1 0 305.290 0.902 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000913682124 664712798 /nfs/dbraw/zinc/71/27/98/664712798.db2.gz PARBSZYLZXALAJ-UHFFFAOYSA-N 1 0 322.365 0.827 20 5 DCBDRO Cc1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000913754357 664719414 /nfs/dbraw/zinc/71/94/14/664719414.db2.gz MXHRRZDSXMHFKX-WFASDCNBSA-N 1 0 307.350 0.975 20 5 DCBDRO O=C(NCC1CCN(Cc2ccon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001400538 666042105 /nfs/dbraw/zinc/04/21/05/666042105.db2.gz UIXAGBVGLLLCLD-CHWSQXEVSA-N 1 0 308.338 0.668 20 5 DCBDRO Cn1nccc1CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002786662 666221812 /nfs/dbraw/zinc/22/18/12/666221812.db2.gz DWDMLIPIWQQCNU-ZIAGYGMSSA-N 1 0 321.381 0.208 20 5 DCBDRO Cn1cc(CC[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000996428765 666790343 /nfs/dbraw/zinc/79/03/43/666790343.db2.gz HDCZAWSVABHMKN-ZIAGYGMSSA-N 1 0 321.381 0.208 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000923299465 667497287 /nfs/dbraw/zinc/49/72/87/667497287.db2.gz RLFUIDYLZSLTAZ-NWDGAFQWSA-N 1 0 307.354 0.877 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923362342 667519146 /nfs/dbraw/zinc/51/91/46/667519146.db2.gz WZSCGXIJRXZCIZ-BZPMIXESSA-N 1 0 307.350 0.628 20 5 DCBDRO [NH3+]C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(F)(F)F ZINC000872151939 667869966 /nfs/dbraw/zinc/86/99/66/667869966.db2.gz NRAIOUIAYDXRAQ-WCBMZHEXSA-N 1 0 307.276 0.860 20 5 DCBDRO COC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000754541950 668047399 /nfs/dbraw/zinc/04/73/99/668047399.db2.gz XSODXMAYBCXLGL-GFCCVEGCSA-N 1 0 309.322 0.688 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000874837024 668225637 /nfs/dbraw/zinc/22/56/37/668225637.db2.gz GADRMWZXBDZXFM-OLZOCXBDSA-N 1 0 320.349 0.452 20 5 DCBDRO Cc1cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c(N)c([N+](=O)[O-])c1 ZINC000762720880 668374411 /nfs/dbraw/zinc/37/44/11/668374411.db2.gz FHQVVSCDBFOXSG-CQSZACIVSA-N 1 0 308.338 0.282 20 5 DCBDRO O=C1OC[C@@]2(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000877713888 668641801 /nfs/dbraw/zinc/64/18/01/668641801.db2.gz HJCGIBRXNRGUDI-OAHLLOKOSA-N 1 0 321.333 0.948 20 5 DCBDRO C[C@@H](CCO)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000779394181 668910496 /nfs/dbraw/zinc/91/04/96/668910496.db2.gz BKEDUAOWWXGDLI-JTQLQIEISA-N 1 0 317.367 0.234 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000878885995 668945442 /nfs/dbraw/zinc/94/54/42/668945442.db2.gz XFSVOMYQNHOQNO-UHFFFAOYSA-N 1 0 305.338 0.970 20 5 DCBDRO C[C@H]1CN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000783910201 669180342 /nfs/dbraw/zinc/18/03/42/669180342.db2.gz DBBYKPQLJOVILM-STQMWFEESA-N 1 0 309.366 0.970 20 5 DCBDRO CC[N@H+]1[C@H](C)CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000880609107 669247707 /nfs/dbraw/zinc/24/77/07/669247707.db2.gz QKONZIHXTQIONF-TXEJJXNPSA-N 1 0 322.365 0.698 20 5 DCBDRO CN(CCO)Cc1cn(Cc2ccc([N+](=O)[O-])c(F)c2)nn1 ZINC000881213146 669305629 /nfs/dbraw/zinc/30/56/29/669305629.db2.gz WZYQGEZKSLAZRR-UHFFFAOYSA-N 1 0 309.301 0.798 20 5 DCBDRO Cc1cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000788601637 669449275 /nfs/dbraw/zinc/44/92/75/669449275.db2.gz IRSMPCBKDSVJAP-HNNXBMFYSA-N 1 0 324.381 0.918 20 5 DCBDRO C[C@]12CSC[C@H]1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000934776689 669638691 /nfs/dbraw/zinc/63/86/91/669638691.db2.gz HVKRYZQALRFGTN-RTXFEEFZSA-N 1 0 312.395 0.837 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cccc([N+](=O)[O-])c1Cl ZINC000716729164 670270884 /nfs/dbraw/zinc/27/08/84/670270884.db2.gz AGIAIIHKLURCHF-QMMMGPOBSA-N 1 0 301.730 0.901 20 5 DCBDRO Cc1cc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000816625643 670829086 /nfs/dbraw/zinc/82/90/86/670829086.db2.gz KCMGWDPNRLYAHU-LLVKDONJSA-N 1 0 322.365 0.672 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000818008292 670961877 /nfs/dbraw/zinc/96/18/77/670961877.db2.gz RWHSCMMDVBVPQQ-LLVKDONJSA-N 1 0 308.338 0.379 20 5 DCBDRO CC[S@](=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819048475 671089686 /nfs/dbraw/zinc/08/96/86/671089686.db2.gz ZNBJGXKDPQHCDQ-GTJPDFRWSA-N 1 0 316.379 0.693 20 5 DCBDRO CO[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000819066753 671092374 /nfs/dbraw/zinc/09/23/74/671092374.db2.gz DICIKLCMLLUREC-IUCAKERBSA-N 1 0 312.248 0.319 20 5 DCBDRO Cn1ncc(CCC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819331003 671112196 /nfs/dbraw/zinc/11/21/96/671112196.db2.gz HLFIPFNTJAQQLD-AWEZNQCLSA-N 1 0 305.338 0.979 20 5 DCBDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825411355 671460699 /nfs/dbraw/zinc/46/06/99/671460699.db2.gz PDQRBVDDKWXYHV-SMDDNHRTSA-N 1 0 305.334 0.981 20 5 DCBDRO COC(=O)Cc1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000827431057 671527499 /nfs/dbraw/zinc/52/74/99/671527499.db2.gz ZDLUJHUUDQFUOY-VXGBXAGGSA-N 1 0 305.334 0.966 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000841183577 671918654 /nfs/dbraw/zinc/91/86/54/671918654.db2.gz OUHRGCVLTXBIQN-SNVBAGLBSA-N 1 0 324.312 0.834 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000841188065 671918969 /nfs/dbraw/zinc/91/89/69/671918969.db2.gz MIJFMNNNIFEPOW-UHFFFAOYSA-N 1 0 312.301 0.834 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841198142 671919597 /nfs/dbraw/zinc/91/95/97/671919597.db2.gz ZOLGBGNIUABOHQ-SSDOTTSWSA-N 1 0 314.729 0.898 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CO)CN2CCCC2)c1 ZINC000843118114 672064348 /nfs/dbraw/zinc/06/43/48/672064348.db2.gz WOYBRPGOBFCMFY-DZGCQCFKSA-N 1 0 309.366 0.675 20 5 DCBDRO NC(=O)c1ccc(SCc2nc(CC[NH3+])no2)c([N+](=O)[O-])c1 ZINC000843129502 672064817 /nfs/dbraw/zinc/06/48/17/672064817.db2.gz YHHHUHXWXRJTMA-UHFFFAOYSA-N 1 0 323.334 0.870 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000106017699 672272027 /nfs/dbraw/zinc/27/20/27/672272027.db2.gz ACKRJGBDQMXNLT-PWSUYJOCSA-N 1 0 300.336 0.405 20 5 DCBDRO Cc1cc(C)n(CC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001020139915 693710724 /nfs/dbraw/zinc/71/07/24/693710724.db2.gz RBJLCAUKPLPTDD-AAVRWANBSA-N 1 0 321.381 0.402 20 5 DCBDRO Cc1ncoc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072726000 694657102 /nfs/dbraw/zinc/65/71/02/694657102.db2.gz WWGVFCSETICXJU-VXGBXAGGSA-N 1 0 320.349 0.683 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]CCOC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001571113525 1162673537 /nfs/dbraw/zinc/67/35/37/1162673537.db2.gz GOSXEMVOJFQSQP-HBJVGIJOSA-N 1 0 311.382 0.705 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](CNC(=O)C(F)F)C1 ZINC001691128621 1157589290 /nfs/dbraw/zinc/58/92/90/1157589290.db2.gz OZXYZRHREHOFMX-ZKCHVHJHSA-N 1 0 317.296 0.578 20 5 DCBDRO Cc1nc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])oc1C ZINC001569202089 1160977416 /nfs/dbraw/zinc/97/74/16/1160977416.db2.gz UVCVDNUDZWSQRB-VXGBXAGGSA-N 1 0 310.354 0.895 20 5 DCBDRO O=[N+]([O-])c1cccc2c1CCN2S(=O)(=O)C[C@H]1CC[NH2+]C1 ZINC001574441364 1163726892 /nfs/dbraw/zinc/72/68/92/1163726892.db2.gz VQSLSNIPPOPYGI-JTQLQIEISA-N 1 0 311.363 0.897 20 5 DCBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)CC1C[NH2+]C1 ZINC001575033670 1163859522 /nfs/dbraw/zinc/85/95/22/1163859522.db2.gz VZZQHJVCQHPXFT-UHFFFAOYSA-N 1 0 314.319 0.725 20 5 DCBDRO CN([C@@H]1[C@H]2C[NH2+]C[C@H]21)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001578432437 1165014138 /nfs/dbraw/zinc/01/41/38/1165014138.db2.gz LUBUAUNIFPOHPU-ITGUQSILSA-N 1 0 311.363 0.574 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@](C)(N)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001578523543 1165041081 /nfs/dbraw/zinc/04/10/81/1165041081.db2.gz MNAINYPOYLVXQC-PEYYIBSZSA-N 1 0 318.377 0.931 20 5 DCBDRO COC(=O)/C=C\c1ccc(NC[C@]2(O)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001578795621 1165114201 /nfs/dbraw/zinc/11/42/01/1165114201.db2.gz AYGPWFVEZRFKRM-QTLSWZBMSA-N 1 0 321.333 0.917 20 5 DCBDRO COc1cc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC001579141501 1165222433 /nfs/dbraw/zinc/22/24/33/1165222433.db2.gz QWCLKGIUCYZRBY-NSHDSACASA-N 1 0 321.333 0.773 20 5 DCBDRO CS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[NH2+]2)cc([N+](=O)[O-])c1 ZINC001579348487 1165281740 /nfs/dbraw/zinc/28/17/40/1165281740.db2.gz DIJJHSAEUFNIAR-SECBINFHSA-N 1 0 313.335 0.090 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1cn(C2C[NH2+]C2)nn1 ZINC001579733794 1165384474 /nfs/dbraw/zinc/38/44/74/1165384474.db2.gz DGPDJXNLDLCDRT-UHFFFAOYSA-N 1 0 316.321 0.569 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001579877673 1165419439 /nfs/dbraw/zinc/41/94/39/1165419439.db2.gz XQKORGKXZJYMQP-SMDDNHRTSA-N 1 0 307.354 0.830 20 5 DCBDRO Cn1cc([C@@H]2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C[C@H]2[NH3+])cn1 ZINC001579970171 1165456083 /nfs/dbraw/zinc/45/60/83/1165456083.db2.gz QTTICOOBJKXMMY-VHSXEESVSA-N 1 0 304.310 0.360 20 5 DCBDRO O=C(CCC(=O)c1cccc([N+](=O)[O-])c1)NC1(CCO)C[NH2+]C1 ZINC001580523185 1165629969 /nfs/dbraw/zinc/62/99/69/1165629969.db2.gz ICUANOQRBWJQAD-UHFFFAOYSA-N 1 0 321.333 0.398 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001580578299 1165643302 /nfs/dbraw/zinc/64/33/02/1165643302.db2.gz DKACEVVJICTJQD-NSHDSACASA-N 1 0 308.338 0.405 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001580578843 1165643699 /nfs/dbraw/zinc/64/36/99/1165643699.db2.gz NVIJMSGKZHXPLX-ZDUSSCGKSA-N 1 0 315.333 0.622 20 5 DCBDRO O=C(NC[C@H]1CC[NH2+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001580658858 1165676550 /nfs/dbraw/zinc/67/65/50/1165676550.db2.gz VPVRGJCKVFGASJ-LLVKDONJSA-N 1 0 320.353 0.183 20 5 DCBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001580806862 1165723112 /nfs/dbraw/zinc/72/31/12/1165723112.db2.gz FNTKCJCIGUOQLU-UTUOFQBUSA-N 1 0 317.349 0.389 20 5 DCBDRO O=[N+]([O-])c1cccnc1S(=O)(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001580875344 1165749547 /nfs/dbraw/zinc/74/95/47/1165749547.db2.gz JAHUGULCLCFFGZ-ZJUUUORDSA-N 1 0 312.351 0.220 20 5 DCBDRO CC[N@H+](C)[C@H]1CCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001590678439 1166968197 /nfs/dbraw/zinc/96/81/97/1166968197.db2.gz SUXHDVYPBNWOMX-JTQLQIEISA-N 1 0 318.341 0.700 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001591012221 1167079738 /nfs/dbraw/zinc/07/97/38/1167079738.db2.gz MNINNXMGUFXGJN-ZDUSSCGKSA-N 1 0 321.341 0.499 20 5 DCBDRO C[N@H+]1C[C@H]2CN(c3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@H]2C1 ZINC001591196073 1167144289 /nfs/dbraw/zinc/14/42/89/1167144289.db2.gz CESGXBLZTXOKQR-AOOOYVTPSA-N 1 0 315.337 0.773 20 5 DCBDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001591757871 1167369117 /nfs/dbraw/zinc/36/91/17/1167369117.db2.gz XMDROGBNJVBBQI-ZJUUUORDSA-N 1 0 318.337 0.978 20 5 DCBDRO C[C@]1(O)CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603820271 1169403633 /nfs/dbraw/zinc/40/36/33/1169403633.db2.gz LMEJXYAPIAHMET-ZDUSSCGKSA-N 1 0 304.310 0.732 20 5 DCBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001603839961 1169407918 /nfs/dbraw/zinc/40/79/18/1169407918.db2.gz OQTFEBVNFALNGZ-XVKPBYJWSA-N 1 0 304.314 0.674 20 5 DCBDRO COC[C@](C)([NH3+])CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001605044194 1169793253 /nfs/dbraw/zinc/79/32/53/1169793253.db2.gz JPMNHXVWMKWHRO-GFCCVEGCSA-N 1 0 307.314 0.551 20 5 DCBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])cnc1N)C[NH+](C)C ZINC001634162675 1171664700 /nfs/dbraw/zinc/66/47/00/1171664700.db2.gz UOKDJSXQRRPCNN-JTQLQIEISA-N 1 0 311.342 0.269 20 5 DCBDRO O=C1CC2(CN(c3c([N+](=O)[O-])cccc3[N+](=O)[O-])C2)NCCN1 ZINC001643005731 1171961874 /nfs/dbraw/zinc/96/18/74/1171961874.db2.gz HVJACNINBUHTNX-UHFFFAOYSA-N 1 0 321.293 0.171 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC001643036338 1171963446 /nfs/dbraw/zinc/96/34/46/1171963446.db2.gz HLRNTSLTQJRIMY-VIFPVBQESA-N 1 0 323.353 0.346 20 5 DCBDRO COC[C@]1(CO)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116754 1171966679 /nfs/dbraw/zinc/96/66/79/1171966679.db2.gz CJIDQPORJCNLBI-LSDHHAIUSA-N 1 0 310.350 0.959 20 5 DCBDRO Nc1ccc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)cc1[N+](=O)[O-] ZINC001644702429 1172016685 /nfs/dbraw/zinc/01/66/85/1172016685.db2.gz CAKHLCVBYOBBHZ-NWDGAFQWSA-N 1 0 320.349 0.458 20 5 DCBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001645425202 1172040877 /nfs/dbraw/zinc/04/08/77/1172040877.db2.gz DAGWDPICFHDRGL-GFCCVEGCSA-N 1 0 323.324 0.866 20 5 DCBDRO O=C(CC[N@@H+]1CC[C@@H](O)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751547 1173811044 /nfs/dbraw/zinc/81/10/44/1173811044.db2.gz GYTXXNIGLPBRCI-SMDDNHRTSA-N 1 0 323.349 0.599 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H](CCO)CC2)c1 ZINC001654767415 1173811110 /nfs/dbraw/zinc/81/11/10/1173811110.db2.gz QVUBTSNPAWJDLC-TZMCWYRMSA-N 1 0 312.370 0.637 20 5 DCBDRO CCOC(=O)[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956915 1173813814 /nfs/dbraw/zinc/81/38/14/1173813814.db2.gz XUVJQOMPMAWMHH-JQWIXIFHSA-N 1 0 312.326 0.037 20 5 DCBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC001658943455 1173928056 /nfs/dbraw/zinc/92/80/56/1173928056.db2.gz XJTMTAPXJONVGY-FZMZJTMJSA-N 1 0 323.349 0.517 20 5 DCBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1ccns1 ZINC001660129740 1173948670 /nfs/dbraw/zinc/94/86/70/1173948670.db2.gz XKODVYVLDZKUNK-VXGBXAGGSA-N 1 0 312.395 0.789 20 5 DCBDRO COC(=O)CNC(=O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001660504514 1174002969 /nfs/dbraw/zinc/00/29/69/1174002969.db2.gz BWDAUJRNWNLRPP-NSHDSACASA-N 1 0 323.349 0.795 20 5 DCBDRO COc1ccc(NC(=O)NCC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC001669625764 1174939668 /nfs/dbraw/zinc/93/96/68/1174939668.db2.gz BUYRRQLZGZAFNN-UHFFFAOYSA-N 1 0 312.326 0.649 20 5 DCBDRO COc1ccc(NC(=O)NCC[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001673750273 1175231087 /nfs/dbraw/zinc/23/10/87/1175231087.db2.gz ZZPKOFNIVLADJK-UHFFFAOYSA-N 1 0 312.326 0.649 20 5 DCBDRO COc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001690939538 1177357461 /nfs/dbraw/zinc/35/74/61/1177357461.db2.gz CONBEAYPXJNJDF-ZIAGYGMSSA-N 1 0 307.350 0.908 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn[nH]n1 ZINC001716314705 1182326171 /nfs/dbraw/zinc/32/61/71/1182326171.db2.gz PEVMRBMQORPXHY-UPHRSURJSA-N 1 0 316.321 0.789 20 5 DCBDRO Cn1nccc1CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001724785638 1184556734 /nfs/dbraw/zinc/55/67/34/1184556734.db2.gz ITRJKUDNLMBQIX-CHWSQXEVSA-N 1 0 321.381 0.256 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001725350601 1184781972 /nfs/dbraw/zinc/78/19/72/1184781972.db2.gz JEKSAZYRPWOAGR-UMSPYCQHSA-N 1 0 320.349 0.455 20 5 DCBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001731770285 1185477321 /nfs/dbraw/zinc/47/73/21/1185477321.db2.gz QSHVGPCBHBYDSN-ZIAGYGMSSA-N 1 0 307.350 0.392 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnn(C)n1 ZINC001731962519 1185609648 /nfs/dbraw/zinc/60/96/48/1185609648.db2.gz OLHQVMMGHKFFFG-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO CCCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC001755145332 1189035378 /nfs/dbraw/zinc/03/53/78/1189035378.db2.gz KBLQRNMCRSCBPF-HUUCEWRRSA-N 1 0 324.425 0.670 20 5 DCBDRO O=[N+]([O-])c1cccc2ncnc(N3CCN4CC[NH2+]C[C@H]4C3)c21 ZINC001164400169 718842719 /nfs/dbraw/zinc/84/27/19/718842719.db2.gz RNJLTBZXFZQJTG-NSHDSACASA-N 1 0 314.349 0.632 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])cc(Cl)[n+]3[O-])C[C@@H]21 ZINC001164668719 719407555 /nfs/dbraw/zinc/40/75/55/719407555.db2.gz KBBVKCWAEKDOGP-UWVGGRQHSA-N 1 0 314.729 0.401 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)n1 ZINC001164923547 721860561 /nfs/dbraw/zinc/86/05/61/721860561.db2.gz ASHXNNNMSWCWPR-QWHCGFSZSA-N 1 0 320.397 0.908 20 5 DCBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ncc([N+](=O)[O-])cc1N ZINC001164923171 721877087 /nfs/dbraw/zinc/87/70/87/721877087.db2.gz JAMXRZABGYKYCQ-KBPBESRZSA-N 1 0 320.397 0.787 20 5 DCBDRO CCNC(=O)CCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124726441 751698625 /nfs/dbraw/zinc/69/86/25/751698625.db2.gz ANADUUODCHPGCK-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO CCC(=O)NCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124872961 751728779 /nfs/dbraw/zinc/72/87/79/751728779.db2.gz PWULQDCOYJHUCI-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO O=C(Cc1cc[nH]n1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125140955 751821894 /nfs/dbraw/zinc/82/18/94/751821894.db2.gz BUFUVDRLDKAHHQ-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO CN(C)C(=O)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001167788939 748308343 /nfs/dbraw/zinc/30/83/43/748308343.db2.gz RGDKQJNDYKWMQF-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO O=C(CC1OCCCO1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126224166 748325900 /nfs/dbraw/zinc/32/59/00/748325900.db2.gz IGQSCUUJQFURID-UHFFFAOYSA-N 1 0 323.349 0.954 20 5 DCBDRO Cc1nnc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])o1 ZINC001126663747 749565467 /nfs/dbraw/zinc/56/54/67/749565467.db2.gz LSMAHYLYTLTBAV-UHFFFAOYSA-N 1 0 319.321 0.735 20 5 DCBDRO CNC(=O)NCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126689264 749607379 /nfs/dbraw/zinc/60/73/79/749607379.db2.gz VDXFMZJGUWCQJP-UHFFFAOYSA-N 1 0 323.353 0.120 20 5 DCBDRO CCOC(=O)COc1ncc(-n2cc(C[NH3+])cn2)cc1[N+](=O)[O-] ZINC001168262115 749672397 /nfs/dbraw/zinc/67/23/97/749672397.db2.gz LCPGYMMHPRHOLT-UHFFFAOYSA-N 1 0 321.293 0.576 20 5 DCBDRO [NH3+]CCN(CCO)c1nc(C2CC2)nc(Cl)c1[N+](=O)[O-] ZINC001163828147 755801215 /nfs/dbraw/zinc/80/12/15/755801215.db2.gz QOTSVYRWGFNYGL-UHFFFAOYSA-N 1 0 301.734 0.673 20 5 DCBDRO C[NH+](C)C[C@H]1COCCN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001154962411 759101368 /nfs/dbraw/zinc/10/13/68/759101368.db2.gz RTFGCBIDBFJYFV-QMMMGPOBSA-N 1 0 301.734 0.805 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ncn1 ZINC001086363352 760101266 /nfs/dbraw/zinc/10/12/66/760101266.db2.gz PBDOXJWWQWUNNV-HBJVGIJOSA-N 1 0 319.365 0.435 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cncc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363217 760101585 /nfs/dbraw/zinc/10/15/85/760101585.db2.gz IAAXBZPZCMAOFV-ICGCDAGXSA-N 1 0 322.340 0.870 20 5 DCBDRO NC(=O)c1nc(N(CC[NH3+])c2cccnc2)ccc1[N+](=O)[O-] ZINC001168831517 760473610 /nfs/dbraw/zinc/47/36/10/760473610.db2.gz HYABOZMCJREFAX-UHFFFAOYSA-N 1 0 302.294 0.581 20 5 DCBDRO NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168975807 760537610 /nfs/dbraw/zinc/53/76/10/760537610.db2.gz XHMSSISJLOHNSZ-DYEKYZERSA-N 1 0 307.350 0.824 20 5 DCBDRO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168993612 760538844 /nfs/dbraw/zinc/53/88/44/760538844.db2.gz NSEBBZOLQBMZPA-CHWSQXEVSA-N 1 0 319.427 0.693 20 5 DCBDRO [NH3+]CCC(=O)NCCc1cncn1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987268 760545329 /nfs/dbraw/zinc/54/53/29/760545329.db2.gz HVMJFVQBZQGQGF-NEPJUHHUSA-N 1 0 309.370 0.509 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1cncc1C[C@@H]([NH3+])CO ZINC001169074564 760574345 /nfs/dbraw/zinc/57/43/45/760574345.db2.gz RLYRZYBLAPLKKE-SECBINFHSA-N 1 0 320.305 0.429 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@H](O)C(F)(F)F)ncnc1C1C[NH2+]C1 ZINC001169456484 760683692 /nfs/dbraw/zinc/68/36/92/760683692.db2.gz SCVDNFOINIJFAT-LURJTMIESA-N 1 0 307.232 0.407 20 5 DCBDRO COc1nc(SC)nc(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001170036010 761638399 /nfs/dbraw/zinc/63/83/99/761638399.db2.gz SXXDDHDDMPJQCD-SSDOTTSWSA-N 1 0 315.355 0.516 20 5 DCBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001170518062 763530451 /nfs/dbraw/zinc/53/04/51/763530451.db2.gz XWJPAZNSROJKPL-UHFFFAOYSA-N 1 0 308.294 0.451 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170574700 763901337 /nfs/dbraw/zinc/90/13/37/763901337.db2.gz NUQUZYGGIRSIFX-LDYMZIIASA-N 1 0 310.310 0.565 20 5 DCBDRO COC(=O)c1nc(Cl)nc(NCC2C[NH+](C)C2)c1[N+](=O)[O-] ZINC001159217565 765592836 /nfs/dbraw/zinc/59/28/36/765592836.db2.gz DCTZAVGBZJVDJR-UHFFFAOYSA-N 1 0 315.717 0.798 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1[nH]c(=O)c(CC[NH3+])c1C ZINC001159293060 765718343 /nfs/dbraw/zinc/71/83/43/765718343.db2.gz AHILAVUTODPZNV-UHFFFAOYSA-N 1 0 321.293 0.477 20 5 DCBDRO O=C(NC1CC1)[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001116209416 765850328 /nfs/dbraw/zinc/85/03/28/765850328.db2.gz MYDJLWNVAWZNCJ-LLVKDONJSA-N 1 0 307.354 0.782 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ncccn1 ZINC001135600681 766000754 /nfs/dbraw/zinc/00/07/54/766000754.db2.gz ZLZKWHKIXFMDIZ-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@@H]2C[NH2+]C[C@H]2CO)cnc1Cl ZINC001159672316 766198734 /nfs/dbraw/zinc/19/87/34/766198734.db2.gz OIQNGWRFARIBTQ-POYBYMJQSA-N 1 0 322.699 0.862 20 5 DCBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001138061489 766416730 /nfs/dbraw/zinc/41/67/30/766416730.db2.gz QWENQTYOPNXZFE-AWEZNQCLSA-N 1 0 311.313 0.839 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119533420 766716340 /nfs/dbraw/zinc/71/63/40/766716340.db2.gz VTKXROHOJQVEFS-HOCLYGCPSA-N 1 0 319.361 0.935 20 5 DCBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC001122287713 767759518 /nfs/dbraw/zinc/75/95/18/767759518.db2.gz GTXZSHFUNLRTOO-UHFFFAOYSA-N 1 0 306.366 0.549 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001122509095 767821146 /nfs/dbraw/zinc/82/11/46/767821146.db2.gz RDNBRDQZJBMHQB-AWEZNQCLSA-N 1 0 307.354 0.926 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001137732870 768389482 /nfs/dbraw/zinc/38/94/82/768389482.db2.gz SIQWITCANWRIJB-TZMCWYRMSA-N 1 0 311.338 0.057 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)CC[NH+](C)C)CC2)n1 ZINC001093193776 768484270 /nfs/dbraw/zinc/48/42/70/768484270.db2.gz YLDAUNKONLBKPB-UHFFFAOYSA-N 1 0 321.381 0.899 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C[C@H](O)CO)c1F ZINC001173186287 769556678 /nfs/dbraw/zinc/55/66/78/769556678.db2.gz PKWQHLSGVFTHAQ-ZJUUUORDSA-N 1 0 316.329 0.959 20 5 DCBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(C[C@H]([NH3+])C(N)=O)c1 ZINC001173229877 769567212 /nfs/dbraw/zinc/56/72/12/769567212.db2.gz VYHZDQRKEIHUFR-HZMBPMFUSA-N 1 0 317.349 0.950 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001173231502 769568111 /nfs/dbraw/zinc/56/81/11/769568111.db2.gz ZXFZOBWIWYYZNA-VWYCJHECSA-N 1 0 322.365 0.494 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nccc(-c2ccncc2)n1 ZINC001234669910 769718033 /nfs/dbraw/zinc/71/80/33/769718033.db2.gz KKGJEKUNELNAEA-CYBMUJFWSA-N 1 0 317.369 0.901 20 5 DCBDRO NC(=O)NCCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001175567578 769928153 /nfs/dbraw/zinc/92/81/53/769928153.db2.gz OQUYQAIFPCQWSO-UHFFFAOYSA-N 1 0 323.353 0.249 20 5 DCBDRO O=C1N[C@@H](C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)CO1 ZINC001176664460 770145003 /nfs/dbraw/zinc/14/50/03/770145003.db2.gz LHTZXJVZWQPJTM-GFCCVEGCSA-N 1 0 309.326 0.612 20 5 DCBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001154748790 770284334 /nfs/dbraw/zinc/28/43/34/770284334.db2.gz OVROGQHROTXVPY-VIFPVBQESA-N 1 0 315.761 0.587 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCOC[C@@H]2C[NH+](C)C)n1 ZINC001154984584 770358864 /nfs/dbraw/zinc/35/88/64/770358864.db2.gz JWPHUFSHDAQVPT-JTQLQIEISA-N 1 0 324.337 0.543 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cnc3ccc([N+](=O)[O-])cc3n2)N1 ZINC001155570696 770547853 /nfs/dbraw/zinc/54/78/53/770547853.db2.gz OVRJNDJHHGLURN-FZMZJTMJSA-N 1 0 314.305 0.528 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncnc3cccc([N+](=O)[O-])c32)N1 ZINC001155581871 770555931 /nfs/dbraw/zinc/55/59/31/770555931.db2.gz VQUMFIZVXPLJTM-IINYFYTJSA-N 1 0 314.305 0.528 20 5 DCBDRO COc1ncnc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155623560 770568804 /nfs/dbraw/zinc/56/88/04/770568804.db2.gz TXEMKULAPVMXHB-RNCFNFMXSA-N 1 0 309.326 0.716 20 5 DCBDRO [NH3+]CCN(CCO)c1cc2ncnc(Cl)c2cc1[N+](=O)[O-] ZINC001155949833 770670137 /nfs/dbraw/zinc/67/01/37/770670137.db2.gz YUYKRQZVKZAJAZ-UHFFFAOYSA-N 1 0 311.729 0.949 20 5 DCBDRO C[C@@]1(O)C[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001157553666 771631631 /nfs/dbraw/zinc/63/16/31/771631631.db2.gz DITIPSMLFARKHN-WJONMLJTSA-N 1 0 322.369 0.367 20 5 DCBDRO CCOC(=O)c1ccnc(-n2ccnc2C(N)=[NH2+])c1[N+](=O)[O-] ZINC001157629185 771644224 /nfs/dbraw/zinc/64/42/24/771644224.db2.gz LPTGIVMHNKASCD-UHFFFAOYSA-N 1 0 304.266 0.636 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC(=N)N2CC[NH+](C)CC2)n1 ZINC001157920216 771694190 /nfs/dbraw/zinc/69/41/90/771694190.db2.gz KFDBUUIEXQUHBJ-UHFFFAOYSA-N 1 0 322.325 0.370 20 5 DCBDRO CC(C)Oc1nc(N2C[C@@H]([NH3+])C3(COC3)C2)ccc1[N+](=O)[O-] ZINC001158766288 771819529 /nfs/dbraw/zinc/81/95/29/771819529.db2.gz XDPYXRHWAOIHEN-LLVKDONJSA-N 1 0 308.338 0.941 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1COCC[NH2+]1 ZINC001159043520 771851569 /nfs/dbraw/zinc/85/15/69/771851569.db2.gz DEUWKLBWUNUGHS-SECBINFHSA-N 1 0 310.310 0.567 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC[C@H]2COCC[NH2+]2)n1 ZINC001159045262 771852304 /nfs/dbraw/zinc/85/23/04/771852304.db2.gz CYDUDIHCJJJKCC-VIFPVBQESA-N 1 0 310.314 0.052 20 5 DCBDRO Nc1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC001159092167 771860184 /nfs/dbraw/zinc/86/01/84/771860184.db2.gz VOTFXWKEVKRMOY-LLVKDONJSA-N 1 0 323.353 0.149 20 5 DCBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001159672410 771942469 /nfs/dbraw/zinc/94/24/69/771942469.db2.gz POBTWUJAQYDEEP-RCOVLWMOSA-N 1 0 322.699 0.862 20 5 DCBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@@H]2C[NH2+]C[C@H]2CO)c1 ZINC001159672408 771942705 /nfs/dbraw/zinc/94/27/05/771942705.db2.gz POBTWUJAQYDEEP-IMTBSYHQSA-N 1 0 322.699 0.862 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])c(OCC)n1 ZINC001159755985 771953391 /nfs/dbraw/zinc/95/33/91/771953391.db2.gz OGBDWHYJKGILAN-NXEZZACHSA-N 1 0 324.337 0.952 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(NC2CCN([C@H]3CC[NH2+]C3)CC2)n1 ZINC001161464809 772227858 /nfs/dbraw/zinc/22/78/58/772227858.db2.gz QZCTUPNXAAOOSL-LBPRGKRZSA-N 1 0 306.370 0.931 20 5 DCBDRO Nc1nc(NC2CCN([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001161469887 772228881 /nfs/dbraw/zinc/22/88/81/772228881.db2.gz KGNVYUVESFRRHW-NSHDSACASA-N 1 0 306.370 0.810 20 5 DCBDRO CN1CC[NH+](CCCNc2ncnc3[nH]cc([N+](=O)[O-])c32)CC1 ZINC001161703807 772269297 /nfs/dbraw/zinc/26/92/97/772269297.db2.gz NJGDRFZZZAQWRR-UHFFFAOYSA-N 1 0 319.369 0.867 20 5 DCBDRO O=C(CCNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)N1CCOCC1 ZINC001161978832 772309866 /nfs/dbraw/zinc/30/98/66/772309866.db2.gz DYBKXBAWDHTCOY-UHFFFAOYSA-N 1 0 320.349 0.859 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@H](O)c2ccco2)ncnc1C1C[NH2+]C1 ZINC001162258458 772347229 /nfs/dbraw/zinc/34/72/29/772347229.db2.gz PXZKDFCXEVKNAT-VIFPVBQESA-N 1 0 305.294 0.810 20 5 DCBDRO [NH3+][C@H]1COC[C@H]1Nc1nccc(Br)c1[N+](=O)[O-] ZINC001162924666 772432669 /nfs/dbraw/zinc/43/26/69/772432669.db2.gz DYCGELZFKONGQI-NKWVEPMBSA-N 1 0 303.116 0.890 20 5 DCBDRO Cn1cc(NCc2noc3c2C[NH2+]CC3)cc([N+](=O)[O-])c1=O ZINC001163132130 772469618 /nfs/dbraw/zinc/46/96/18/772469618.db2.gz UEWRUARBWJNDLJ-UHFFFAOYSA-N 1 0 305.294 0.539 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncc3cccc([N+](=O)[O-])c3n2)N1 ZINC001163243234 772489382 /nfs/dbraw/zinc/48/93/82/772489382.db2.gz RVUYYQHPQHZZDM-HZMBPMFUSA-N 1 0 314.305 0.528 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163252764 772492395 /nfs/dbraw/zinc/49/23/95/772492395.db2.gz WWIFPXQFTVCEHU-SMDDNHRTSA-N 1 0 320.305 0.371 20 5 DCBDRO Cn1nnc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001164147598 772616669 /nfs/dbraw/zinc/61/66/69/772616669.db2.gz FHXJNUHBGKLCSU-UHFFFAOYSA-N 1 0 319.325 0.028 20 5 DCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC[C@H]1O ZINC001164226979 772628281 /nfs/dbraw/zinc/62/82/81/772628281.db2.gz FGDFYFDFIIRNNQ-JOYOIKCWSA-N 1 0 307.354 0.669 20 5 DCBDRO CCN(CC)C(=O)[C@@H](C)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001164610401 772688408 /nfs/dbraw/zinc/68/84/08/772688408.db2.gz PJARKDDJAKXPTK-SECBINFHSA-N 1 0 322.369 0.740 20 5 DCBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])cnc2OC)CC[NH2+]CC1 ZINC001166947301 772886020 /nfs/dbraw/zinc/88/60/20/772886020.db2.gz JEYSBQUKBFEZRW-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO NS(=O)(=O)C[C@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC001193742503 773104362 /nfs/dbraw/zinc/10/43/62/773104362.db2.gz CHCSDSIXRRIJNK-JTQLQIEISA-N 1 0 314.367 0.490 20 5 DCBDRO CN(CCNC(=O)CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1F ZINC001100299642 775236585 /nfs/dbraw/zinc/23/65/85/775236585.db2.gz QJBMUBYLCMGVRZ-UHFFFAOYSA-N 1 0 313.333 0.633 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCC(=O)OCc1ccccc1 ZINC001224328040 775559681 /nfs/dbraw/zinc/55/96/81/775559681.db2.gz XGNUGDIGYLXAOU-CQSZACIVSA-N 1 0 310.370 0.730 20 5 DCBDRO CCOC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1O[C@@H]1CC[N@H+](C)C1 ZINC001226307287 775797131 /nfs/dbraw/zinc/79/71/31/775797131.db2.gz HURPUDABPILKCN-MRVPVSSYSA-N 1 0 311.294 0.955 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Cl)nc2[nH]cnc21 ZINC001228510809 776092111 /nfs/dbraw/zinc/09/21/11/776092111.db2.gz XMUYUJUNYOKVMF-SSDOTTSWSA-N 1 0 314.753 0.369 20 5 DCBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Br)nc1C(N)=O ZINC001230196372 776263240 /nfs/dbraw/zinc/26/32/40/776263240.db2.gz AKWFBSNYNDJGOG-ZETCQYMHSA-O 1 0 318.195 0.812 20 5 DCBDRO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn[nH]n1 ZINC001483475187 942377839 /nfs/dbraw/zinc/37/78/39/942377839.db2.gz DCGGQGFLPWSFIF-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn[nH]n1 ZINC001483475755 942378183 /nfs/dbraw/zinc/37/81/83/942378183.db2.gz KNQKAYKPFJSZOB-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO CC(C)=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001484419474 943364033 /nfs/dbraw/zinc/36/40/33/943364033.db2.gz UKQUASKVIMCPNA-HUUCEWRRSA-N 1 0 324.425 0.788 20 5 DCBDRO Cc1nn(C)cc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001484634986 943482818 /nfs/dbraw/zinc/48/28/18/943482818.db2.gz RHXULXRUOJSPND-CHWSQXEVSA-N 1 0 321.381 0.522 20 5 DCBDRO COC(=O)[C@@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC001246933236 945522569 /nfs/dbraw/zinc/52/25/69/945522569.db2.gz RFXKJIVFESZYRN-RAIGVLPGSA-N 1 0 307.350 0.958 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CC[NH2+]C[C@H]2O)n1 ZINC001247755541 945574864 /nfs/dbraw/zinc/57/48/64/945574864.db2.gz NYWYQSGRZNRYMD-IONNQARKSA-N 1 0 309.257 0.617 20 5 DCBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319474283 945597845 /nfs/dbraw/zinc/59/78/45/945597845.db2.gz NKDBQXVOHMAKCI-NEPJUHHUSA-N 1 0 322.365 0.746 20 5 DCBDRO Cc1ccc(C(=O)N2CC(N3CC[NH+](C)CC3)C2)cc1[N+](=O)[O-] ZINC001321004273 946114760 /nfs/dbraw/zinc/11/47/60/946114760.db2.gz JDBFRXQOWIBSGP-UHFFFAOYSA-N 1 0 318.377 0.975 20 5 DCBDRO O=C1C=CC(=O)N1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254583961 946412923 /nfs/dbraw/zinc/41/29/23/946412923.db2.gz PBTGLGSZXIXCON-LBPRGKRZSA-N 1 0 301.302 0.577 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001261636594 947383590 /nfs/dbraw/zinc/38/35/90/947383590.db2.gz OVUFLWGHVQZDPV-JTQLQIEISA-N 1 0 320.349 0.204 20 5 DCBDRO Nc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1[N+](=O)[O-] ZINC001324466959 947433091 /nfs/dbraw/zinc/43/30/91/947433091.db2.gz KMKTVRJKXMIWKR-GFCCVEGCSA-N 1 0 322.365 0.754 20 5 DCBDRO Cc1nc(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC001324486394 947439306 /nfs/dbraw/zinc/43/93/06/947439306.db2.gz MQAXPAWGDSFAFU-AAEUAGOBSA-N 1 0 307.354 0.729 20 5 DCBDRO CC1(C)CC(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001326023964 948023879 /nfs/dbraw/zinc/02/38/79/948023879.db2.gz QXDLCNYUNWIEDN-CHWSQXEVSA-N 1 0 313.398 0.498 20 5 DCBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC001326046586 948032180 /nfs/dbraw/zinc/03/21/80/948032180.db2.gz HKFFYQRMGGZKSC-SNVBAGLBSA-N 1 0 316.321 0.596 20 5 DCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001329491516 949638360 /nfs/dbraw/zinc/63/83/60/949638360.db2.gz UCFSEZPPZHACBA-MNOVXSKESA-N 1 0 308.338 0.390 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001331731494 951278124 /nfs/dbraw/zinc/27/81/24/951278124.db2.gz NZOFNOXHJKOIMW-SNVBAGLBSA-N 1 0 308.338 0.059 20 5 DCBDRO CNC(=O)c1ccc(N(C)CC[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001334286904 952279977 /nfs/dbraw/zinc/27/99/77/952279977.db2.gz HPJKXQCPYKTOFY-UHFFFAOYSA-N 1 0 310.354 0.315 20 5 DCBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001326492363 952634563 /nfs/dbraw/zinc/63/45/63/952634563.db2.gz XXOIRVZLKLTDEX-SECBINFHSA-N 1 0 317.367 0.880 20 5 DCBDRO CS(=O)(=O)NCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001336699465 952754507 /nfs/dbraw/zinc/75/45/07/952754507.db2.gz KOJQVVAYJXKPDI-GFCCVEGCSA-N 1 0 317.367 0.157 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]CCC12CCOCC2 ZINC001338407987 953008218 /nfs/dbraw/zinc/00/82/18/953008218.db2.gz XMCIKBXXLKKWHP-UHFFFAOYSA-N 1 0 323.353 0.162 20 5 DCBDRO O=Cc1ccc(OCC(=O)NCC[NH+]2CC=CC2)c([N+](=O)[O-])c1 ZINC001339863178 953125332 /nfs/dbraw/zinc/12/53/32/953125332.db2.gz VHFFICTULJDTDX-UHFFFAOYSA-N 1 0 319.317 0.774 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1CO ZINC001340953723 953204627 /nfs/dbraw/zinc/20/46/27/953204627.db2.gz OPJJSQBZIURZKN-GFCCVEGCSA-N 1 0 311.313 0.459 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345196525 953612136 /nfs/dbraw/zinc/61/21/36/953612136.db2.gz BOYXWAIFIBNJPA-SNVBAGLBSA-N 1 0 320.349 0.551 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@H]21 ZINC001349418622 954744596 /nfs/dbraw/zinc/74/45/96/954744596.db2.gz UGKOHWJLILVXGE-IJLUTSLNSA-N 1 0 320.349 0.342 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001350863262 955208224 /nfs/dbraw/zinc/20/82/24/955208224.db2.gz ZJLBUZRBONTTMV-ABAIWWIYSA-N 1 0 316.361 0.872 20 5 DCBDRO CN1C[C@H](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC001352086164 955510109 /nfs/dbraw/zinc/51/01/09/955510109.db2.gz BMUYOZBCQOHTEL-VOMCLLRMSA-N 1 0 307.354 0.953 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC001353612623 956123136 /nfs/dbraw/zinc/12/31/36/956123136.db2.gz FORZYOOHZUXIKV-HZSPNIEDSA-N 1 0 305.334 0.884 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001354437875 956391657 /nfs/dbraw/zinc/39/16/57/956391657.db2.gz UOQLIQLCVJWSHG-SNVBAGLBSA-N 1 0 311.313 0.920 20 5 DCBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001304086551 960074704 /nfs/dbraw/zinc/07/47/04/960074704.db2.gz YNTSSKREGCWWTG-LLVKDONJSA-N 1 0 309.297 0.937 20 5 DCBDRO COCC(COC)N1CCN(c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001307142466 960142189 /nfs/dbraw/zinc/14/21/89/960142189.db2.gz URNQUXVKENBFBV-UHFFFAOYSA-N 1 0 313.358 0.112 20 5 DCBDRO COc1cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC001528681212 1014381517 /nfs/dbraw/zinc/38/15/17/1014381517.db2.gz WCDUDRQHUCDGHV-HNNXBMFYSA-N 1 0 323.349 0.742 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001450606361 1015245567 /nfs/dbraw/zinc/24/55/67/1015245567.db2.gz BDOBHNKWNJOFGL-NSHDSACASA-N 1 0 322.365 0.823 20 5 DCBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])cc(C)n1)C[NH+](C)C ZINC001537721834 1012405265 /nfs/dbraw/zinc/40/52/65/1012405265.db2.gz LHDXNHAZXWLQGR-GFCCVEGCSA-N 1 0 310.354 0.995 20 5 DCBDRO O=C(CC[N@@H+]1CC[C@H](O)[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001559915257 1012433743 /nfs/dbraw/zinc/43/37/43/1012433743.db2.gz JVWOONRDYKEKTP-RISCZKNCSA-N 1 0 323.349 0.599 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC001460617313 1012949303 /nfs/dbraw/zinc/94/93/03/1012949303.db2.gz JFOIACLLGSIBAU-CQSZACIVSA-N 1 0 311.338 0.545 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295299268 529556982 /nfs/dbraw/zinc/55/69/82/529556982.db2.gz UXTRIUQOQAXRKW-LLVKDONJSA-N 1 0 308.338 0.568 20 5 DCBDRO COc1ccc(NC(=O)CC[N@H+](C)CCC(N)=O)c([N+](=O)[O-])c1 ZINC000286590795 219069701 /nfs/dbraw/zinc/06/97/01/219069701.db2.gz VVTCYOUHBMEYPE-UHFFFAOYSA-N 1 0 324.337 0.739 20 5 DCBDRO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1=CC[N@H+](C)CC1 ZINC000272732829 210139524 /nfs/dbraw/zinc/13/95/24/210139524.db2.gz BYNJJAOASUKWPV-NSHDSACASA-N 1 0 320.349 0.523 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281175886 216132505 /nfs/dbraw/zinc/13/25/05/216132505.db2.gz ALXNIOGDQZCODK-PWSUYJOCSA-N 1 0 322.321 0.187 20 5 DCBDRO C[N@H+]1CC=C(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000271817161 209240582 /nfs/dbraw/zinc/24/05/82/209240582.db2.gz CNRGZMPQVWECTM-UHFFFAOYSA-N 1 0 308.342 0.352 20 5 DCBDRO C[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417141181 239785154 /nfs/dbraw/zinc/78/51/54/239785154.db2.gz RCEHYLDLFRLFAK-LBPRGKRZSA-N 1 0 321.381 0.860 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420019316 240005136 /nfs/dbraw/zinc/00/51/36/240005136.db2.gz BOLYKWUFIMXECT-JTQLQIEISA-N 1 0 320.349 0.549 20 5 DCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CC[NH2+]CC1 ZINC000423584776 240219187 /nfs/dbraw/zinc/21/91/87/240219187.db2.gz QSIMYUMBNZKSSA-UHFFFAOYSA-N 1 0 320.349 0.028 20 5 DCBDRO CCc1ccc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000567109125 291337710 /nfs/dbraw/zinc/33/77/10/291337710.db2.gz UTNVDHBNLGRCTA-CYBMUJFWSA-N 1 0 306.366 0.872 20 5 DCBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000430272983 240387723 /nfs/dbraw/zinc/38/77/23/240387723.db2.gz ZHJCLBIPMJIBCU-OAHLLOKOSA-N 1 0 320.349 0.652 20 5 DCBDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000288583081 220257162 /nfs/dbraw/zinc/25/71/62/220257162.db2.gz IUYXKTOYYVHGPE-GFCCVEGCSA-N 1 0 309.322 0.534 20 5 DCBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000064312097 184293750 /nfs/dbraw/zinc/29/37/50/184293750.db2.gz FCPGEMGDARGOKX-GHMZBOCLSA-N 1 0 310.358 0.423 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)n1 ZINC000339414446 253081457 /nfs/dbraw/zinc/08/14/57/253081457.db2.gz YNXRZGCPAIPOEU-GFCCVEGCSA-N 1 0 321.341 0.212 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339760781 253140160 /nfs/dbraw/zinc/14/01/60/253140160.db2.gz YGAVGRSCHHEJCR-TZMCWYRMSA-N 1 0 310.354 0.738 20 5 DCBDRO C[C@H](C[NH+](C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000346234952 254025261 /nfs/dbraw/zinc/02/52/61/254025261.db2.gz WWSVWTQURINJJQ-SNVBAGLBSA-N 1 0 323.349 0.975 20 5 DCBDRO Cn1c(C(=O)NCCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000346249944 254027526 /nfs/dbraw/zinc/02/75/26/254027526.db2.gz NICODSPEFWHEAS-UHFFFAOYSA-N 1 0 310.354 0.510 20 5 DCBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1c([N+](=O)[O-])cnn1C ZINC000347406089 254154838 /nfs/dbraw/zinc/15/48/38/254154838.db2.gz FRYHSMODCDJMQW-SNVBAGLBSA-N 1 0 313.358 0.415 20 5 DCBDRO C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000347240080 254141388 /nfs/dbraw/zinc/14/13/88/254141388.db2.gz RXPUUEYQJFUJKW-NSHDSACASA-N 1 0 310.354 0.462 20 5 DCBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000348188811 254226294 /nfs/dbraw/zinc/22/62/94/254226294.db2.gz VZSKCAKINHHDHF-VXGBXAGGSA-N 1 0 308.338 0.261 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348522768 254241332 /nfs/dbraw/zinc/24/13/32/254241332.db2.gz ZMUWJSJUBXIJDZ-MXWKQRLJSA-N 1 0 320.296 0.902 20 5 DCBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351494418 254339856 /nfs/dbraw/zinc/33/98/56/254339856.db2.gz NLKXLMSZLISLOS-UHFFFAOYSA-N 1 0 312.301 0.740 20 5 DCBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000351527133 254343570 /nfs/dbraw/zinc/34/35/70/254343570.db2.gz YDZYBEGXOFFWCG-LBPRGKRZSA-N 1 0 320.349 0.122 20 5 DCBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000351556003 254346859 /nfs/dbraw/zinc/34/68/59/254346859.db2.gz GGXXWGNNIBGDHY-NSHDSACASA-N 1 0 318.333 0.352 20 5 DCBDRO C[C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[NH+](C)C ZINC000025149070 395693198 /nfs/dbraw/zinc/69/31/98/395693198.db2.gz QPMXCOJQAJYQKC-JTQLQIEISA-N 1 0 318.337 0.855 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1CC[NH+](C2CC2)CC1 ZINC000031672499 395707588 /nfs/dbraw/zinc/70/75/88/395707588.db2.gz FPITVBUMVHLEJF-UHFFFAOYSA-N 1 0 320.349 0.500 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000053695092 395887542 /nfs/dbraw/zinc/88/75/42/395887542.db2.gz SEAINUBLENWLAE-UHFFFAOYSA-N 1 0 306.366 0.914 20 5 DCBDRO COCCC(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000234646492 395890213 /nfs/dbraw/zinc/89/02/13/395890213.db2.gz KYYISMSCNLOXHP-LBPRGKRZSA-N 1 0 300.359 0.805 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000272551474 395899198 /nfs/dbraw/zinc/89/91/98/395899198.db2.gz CYYYEMGSFHZHHX-AAEUAGOBSA-N 1 0 320.349 0.309 20 5 DCBDRO COc1cc(OCC(=O)N2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000126165805 395910365 /nfs/dbraw/zinc/91/03/65/395910365.db2.gz QCVUPLYMCPRCOF-JTQLQIEISA-N 1 0 309.322 0.803 20 5 DCBDRO CC(C)(C)C[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226087929 395865010 /nfs/dbraw/zinc/86/50/10/395865010.db2.gz VRXMOZPXBYTOQL-NWDGAFQWSA-N 1 0 300.359 0.539 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053254410 395878963 /nfs/dbraw/zinc/87/89/63/395878963.db2.gz QRJHCGWLSYWRAZ-VIFPVBQESA-N 1 0 315.351 0.634 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000274461612 395950429 /nfs/dbraw/zinc/95/04/29/395950429.db2.gz VEGVACCXCCPWFB-SSDOTTSWSA-N 1 0 301.324 0.075 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274787504 395976003 /nfs/dbraw/zinc/97/60/03/395976003.db2.gz MKKTUGRJPWTSFU-NSHDSACASA-N 1 0 308.338 0.461 20 5 DCBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C(N)=O)O1 ZINC000154452670 396038414 /nfs/dbraw/zinc/03/84/14/396038414.db2.gz QESPYZGFLCPDHY-ICCXJUOJSA-N 1 0 309.322 0.203 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000068468093 396056521 /nfs/dbraw/zinc/05/65/21/396056521.db2.gz NEFDMPIPWDQYMA-LBPRGKRZSA-N 1 0 309.370 0.946 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000156483694 396061650 /nfs/dbraw/zinc/06/16/50/396061650.db2.gz UREBOZNYCDMVBN-SKDRFNHKSA-N 1 0 315.351 0.332 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261746645 396062426 /nfs/dbraw/zinc/06/24/26/396062426.db2.gz SQJLCEPGYMABAD-JTQLQIEISA-N 1 0 310.379 0.776 20 5 DCBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)O1 ZINC000261829541 396070181 /nfs/dbraw/zinc/07/01/81/396070181.db2.gz PWJLDIVQGDMEDX-OLZOCXBDSA-N 1 0 308.338 0.629 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCO1 ZINC000163190927 396085852 /nfs/dbraw/zinc/08/58/52/396085852.db2.gz LNPAPRYUFGWTFP-GWCFXTLKSA-N 1 0 308.338 0.581 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000163306489 396086682 /nfs/dbraw/zinc/08/66/82/396086682.db2.gz JFRFBWNOIGOXRO-GXSJLCMTSA-N 1 0 311.342 0.101 20 5 DCBDRO COCC1(CNC(=O)c2ccc([N+](=O)[O-])n2C)CC[NH2+]CC1 ZINC000262448572 396141125 /nfs/dbraw/zinc/14/11/25/396141125.db2.gz HNUOAARRKOYGJU-UHFFFAOYSA-N 1 0 310.354 0.679 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000070303878 396101073 /nfs/dbraw/zinc/10/10/73/396101073.db2.gz QMPOGJWOEKIREM-UHFFFAOYSA-N 1 0 303.340 0.443 20 5 DCBDRO COC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCO1 ZINC000279102067 396153383 /nfs/dbraw/zinc/15/33/83/396153383.db2.gz RDHWIPSGIAKBMW-CHWSQXEVSA-N 1 0 311.338 0.540 20 5 DCBDRO COc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000279376097 396169934 /nfs/dbraw/zinc/16/99/34/396169934.db2.gz ULHNPPJZJSFYNV-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000263706317 396225141 /nfs/dbraw/zinc/22/51/41/396225141.db2.gz CSXITGNFYVEPEF-GFCCVEGCSA-N 1 0 306.366 0.961 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000179380145 396225773 /nfs/dbraw/zinc/22/57/73/396225773.db2.gz YWVKJYUFQVBCFY-UHFFFAOYSA-N 1 0 317.367 0.250 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000185049671 396316067 /nfs/dbraw/zinc/31/60/67/396316067.db2.gz LZVSIOHRAQRQOW-UPJWGTAASA-N 1 0 321.381 0.994 20 5 DCBDRO CCNC(=O)CN1CCCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000264508247 396285837 /nfs/dbraw/zinc/28/58/37/396285837.db2.gz XAAVMKYVKSDUFH-UHFFFAOYSA-N 1 0 321.381 0.946 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000580064069 396485218 /nfs/dbraw/zinc/48/52/18/396485218.db2.gz JMESCLAKJPTEPI-QMMMGPOBSA-N 1 0 309.278 0.042 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH2+]C2(CCCCC2)C1 ZINC000594628734 396491729 /nfs/dbraw/zinc/49/17/29/396491729.db2.gz FXRPXDWLIYYRQS-UHFFFAOYSA-N 1 0 308.342 0.321 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)C2CCCCC2)c1 ZINC000581548353 396563813 /nfs/dbraw/zinc/56/38/13/396563813.db2.gz FDPSGZSFUFXODH-UONOGXRCSA-N 1 0 312.370 0.683 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000595243737 396569516 /nfs/dbraw/zinc/56/95/16/396569516.db2.gz HDIXFKYKXWCWQF-VIFPVBQESA-N 1 0 324.337 0.656 20 5 DCBDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000584748956 396620161 /nfs/dbraw/zinc/62/01/61/396620161.db2.gz KKHHYBTZFOVITF-SNVBAGLBSA-N 1 0 316.383 0.997 20 5 DCBDRO COC(=O)[C@@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000595534686 396626955 /nfs/dbraw/zinc/62/69/55/396626955.db2.gz JVRCQONWOWYVIW-JTQLQIEISA-N 1 0 312.326 0.428 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000294233745 396662067 /nfs/dbraw/zinc/66/20/67/396662067.db2.gz BWFVYUNLDPMEJR-UHFFFAOYSA-N 1 0 323.353 0.015 20 5 DCBDRO Cc1ccc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000588873635 396697193 /nfs/dbraw/zinc/69/71/93/396697193.db2.gz NIVCWBXQOXULBS-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO C[C@]1(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000595993572 396704812 /nfs/dbraw/zinc/70/48/12/396704812.db2.gz YBPUAPUDRZOEEC-HNNXBMFYSA-N 1 0 320.349 0.583 20 5 DCBDRO C[C@@]1(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000596049937 396711842 /nfs/dbraw/zinc/71/18/42/396711842.db2.gz KNIBWJKHYAAJSQ-CYBMUJFWSA-N 1 0 313.379 0.809 20 5 DCBDRO CN(C)C(=O)CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1F ZINC000596462093 396782201 /nfs/dbraw/zinc/78/22/01/396782201.db2.gz LCSKPQUGMIWSPQ-UHFFFAOYSA-N 1 0 313.333 0.585 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000314582498 396782830 /nfs/dbraw/zinc/78/28/30/396782830.db2.gz PRIWIZGTSWJWFI-SMDDNHRTSA-N 1 0 309.370 0.226 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000304309258 396729732 /nfs/dbraw/zinc/72/97/32/396729732.db2.gz JWAZYNPMLQMEAR-MCIONIFRSA-N 1 0 310.354 0.796 20 5 DCBDRO COc1ccc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000316414330 396796438 /nfs/dbraw/zinc/79/64/38/396796438.db2.gz BDRORXZFUVNBGJ-ZANVPECISA-N 1 0 309.322 0.792 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[C@@H]2CCC[NH2+]C2)c1 ZINC000563532047 396748300 /nfs/dbraw/zinc/74/83/00/396748300.db2.gz FVPYMTJPKLIMQO-JTQLQIEISA-N 1 0 309.322 0.933 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)n1 ZINC000564227830 396818796 /nfs/dbraw/zinc/81/87/96/396818796.db2.gz ROLSMLLLOLKTBE-QWRGUYRKSA-N 1 0 305.338 0.355 20 5 DCBDRO COc1cc(C[NH2+]C[C@@H]2CCCNC2=O)c([N+](=O)[O-])cc1O ZINC000590971851 396862179 /nfs/dbraw/zinc/86/21/79/396862179.db2.gz QJRUROWEGPUZEE-VIFPVBQESA-N 1 0 309.322 0.925 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000600530424 396883940 /nfs/dbraw/zinc/88/39/40/396883940.db2.gz AWNGAVOCQSLRNC-QLFBSQMISA-N 1 0 319.361 0.881 20 5 DCBDRO C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000611559067 396886230 /nfs/dbraw/zinc/88/62/30/396886230.db2.gz CDKQJGIKGHRHKD-ZANVPECISA-N 1 0 309.322 0.749 20 5 DCBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCOCC[NH3+] ZINC000600733605 396933544 /nfs/dbraw/zinc/93/35/44/396933544.db2.gz KYINNCKKEFQDHT-LLVKDONJSA-N 1 0 310.354 0.829 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000600756647 396939394 /nfs/dbraw/zinc/93/93/94/396939394.db2.gz NNGVVXNUTCOKBA-KLPPZKSPSA-N 1 0 314.363 0.729 20 5 DCBDRO CN(C)c1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000591757396 396999050 /nfs/dbraw/zinc/99/90/50/396999050.db2.gz XCGHICMSISINNP-CYBMUJFWSA-N 1 0 320.353 0.403 20 5 DCBDRO O=C1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)N1 ZINC000591763756 396999116 /nfs/dbraw/zinc/99/91/16/396999116.db2.gz HMCSXRUTYHHXHQ-DGCLKSJQSA-N 1 0 323.349 0.593 20 5 DCBDRO CN(C)c1cc[nH+]c(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000612347481 397032664 /nfs/dbraw/zinc/03/26/64/397032664.db2.gz ZSENWHAUHRNOKW-UHFFFAOYSA-N 1 0 317.305 0.856 20 5 DCBDRO CN(C(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc([N+](=O)[O-])cc1 ZINC000601329871 397061468 /nfs/dbraw/zinc/06/14/68/397061468.db2.gz NVPWETHBOYUNKU-TXEJJXNPSA-N 1 0 304.350 0.994 20 5 DCBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(F)cc1[N+](=O)[O-] ZINC000601345558 397069915 /nfs/dbraw/zinc/06/99/15/397069915.db2.gz CNGGJTFQCNEODW-IUCAKERBSA-N 1 0 315.326 0.777 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[N@@H+]3CC[C@H]2C3)c(C)c1[N+](=O)[O-] ZINC000597710987 397072548 /nfs/dbraw/zinc/07/25/48/397072548.db2.gz ZIUMIPRXLQQDHZ-LBPRGKRZSA-N 1 0 307.354 0.715 20 5 DCBDRO Cc1cc(OCC(=O)N[C@@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597654997 397046052 /nfs/dbraw/zinc/04/60/52/397046052.db2.gz XELYMYMHMSEKQK-LLVKDONJSA-N 1 0 311.338 0.321 20 5 DCBDRO C[C@@H]1C[C@@H]([NH3+])CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601330534 397061427 /nfs/dbraw/zinc/06/14/27/397061427.db2.gz UQCMBKJGGQLCAA-ZYHUDNBSSA-N 1 0 304.350 0.905 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH2+]C1CC1 ZINC000592295286 397144653 /nfs/dbraw/zinc/14/46/53/397144653.db2.gz HVKGBWJQQXONIR-LLVKDONJSA-N 1 0 324.385 0.695 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 ZINC000592326582 397154569 /nfs/dbraw/zinc/15/45/69/397154569.db2.gz QRTPDUKHNCZCPQ-JTQLQIEISA-N 1 0 323.305 0.166 20 5 DCBDRO CC(=O)NCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000573321171 397157144 /nfs/dbraw/zinc/15/71/44/397157144.db2.gz ACTUMKJZARPMBM-LBPRGKRZSA-N 1 0 311.338 0.402 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000592365989 397160434 /nfs/dbraw/zinc/16/04/34/397160434.db2.gz ONYQXWXFQABHDM-MRVPVSSYSA-N 1 0 301.324 0.244 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC[NH2+]C1CC1 ZINC000592366926 397161290 /nfs/dbraw/zinc/16/12/90/397161290.db2.gz KCXRRAMDOQEKMZ-UHFFFAOYSA-N 1 0 313.379 0.809 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000377908782 397162425 /nfs/dbraw/zinc/16/24/25/397162425.db2.gz IJADYFDJJFDWLT-AWEZNQCLSA-N 1 0 320.353 0.755 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000592390493 397167520 /nfs/dbraw/zinc/16/75/20/397167520.db2.gz XXDZVOWVKAUHQF-JTQLQIEISA-N 1 0 312.351 0.410 20 5 DCBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592169412 397113522 /nfs/dbraw/zinc/11/35/22/397113522.db2.gz UUSZJXFQRHTPSJ-UHFFFAOYSA-N 1 0 322.296 0.908 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000592469184 397184705 /nfs/dbraw/zinc/18/47/05/397184705.db2.gz JIGGLSYWXBXDSW-UHFFFAOYSA-N 1 0 307.354 0.154 20 5 DCBDRO Cn1ccc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000573599072 397186193 /nfs/dbraw/zinc/18/61/93/397186193.db2.gz SLSLYAFWJUOZEV-AWEZNQCLSA-N 1 0 320.349 0.900 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000592489749 397190195 /nfs/dbraw/zinc/19/01/95/397190195.db2.gz UTGKTQHEJWNKHR-CQSZACIVSA-N 1 0 323.349 0.811 20 5 DCBDRO COc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccc1O ZINC000573677095 397193843 /nfs/dbraw/zinc/19/38/43/397193843.db2.gz SIFMSKXYDKENOF-LBPRGKRZSA-N 1 0 322.321 0.656 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568278 397219581 /nfs/dbraw/zinc/21/95/81/397219581.db2.gz LYZJQUMQWGHGJO-NSHDSACASA-N 1 0 307.354 0.891 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC1CC[NH2+]CC1 ZINC000598661420 397270128 /nfs/dbraw/zinc/27/01/28/397270128.db2.gz FFWLNRSJDAIUNF-UHFFFAOYSA-N 1 0 321.337 0.585 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCCSC2)c1 ZINC000384152766 397280120 /nfs/dbraw/zinc/28/01/20/397280120.db2.gz PWJZOXVAJOYDLY-PWSUYJOCSA-N 1 0 300.384 0.885 20 5 DCBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000592958031 397303317 /nfs/dbraw/zinc/30/33/17/397303317.db2.gz UIKCOSRNRDVWOZ-DFBGVHRSSA-N 1 0 316.361 0.994 20 5 DCBDRO C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1C[NH2+]C1 ZINC000391421037 397304155 /nfs/dbraw/zinc/30/41/55/397304155.db2.gz WVRVMCZGWHQEOC-NSHDSACASA-N 1 0 319.365 0.494 20 5 DCBDRO COC(=O)c1cnc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000599084731 397332414 /nfs/dbraw/zinc/33/24/14/397332414.db2.gz WHQLRTVXGIJYPK-IAZYJMLFSA-N 1 0 306.322 0.773 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366279349 397361595 /nfs/dbraw/zinc/36/15/95/397361595.db2.gz KHEJJPBVKHQBDE-PJXYFTJBSA-N 1 0 311.363 0.653 20 5 DCBDRO CC(C)(NC(=O)CN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000602463873 397409239 /nfs/dbraw/zinc/40/92/39/397409239.db2.gz XMKLBSDFFNEBCD-UHFFFAOYSA-N 1 0 306.366 0.851 20 5 DCBDRO COc1ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593904014 397473155 /nfs/dbraw/zinc/47/31/55/397473155.db2.gz PHEDQEWIVCJSFK-LLVKDONJSA-N 1 0 310.354 0.499 20 5 DCBDRO CN(C)C(=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578758865 397479968 /nfs/dbraw/zinc/47/99/68/397479968.db2.gz CTBZEHQBFCCDRF-GFCCVEGCSA-N 1 0 311.338 0.402 20 5 DCBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC(=O)N1CC[NH2+]CC1 ZINC000579343271 397553392 /nfs/dbraw/zinc/55/33/92/397553392.db2.gz LVDAJIGOZBNEEP-UHFFFAOYSA-N 1 0 320.349 0.075 20 5 DCBDRO CN1CCN(C(=O)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594493001 397563090 /nfs/dbraw/zinc/56/30/90/397563090.db2.gz BSQAKRACLHQBAE-AWEZNQCLSA-N 1 0 318.377 0.946 20 5 DCBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000579471536 397572445 /nfs/dbraw/zinc/57/24/45/397572445.db2.gz HDBAISXNNKSQSQ-SECBINFHSA-N 1 0 307.306 0.848 20 5 DCBDRO COC(=O)[C@@]1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000602931513 397527104 /nfs/dbraw/zinc/52/71/04/397527104.db2.gz MOFCLFYOWDUXNN-NHYWBVRUSA-N 1 0 323.349 0.888 20 5 DCBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599887308 397534961 /nfs/dbraw/zinc/53/49/61/397534961.db2.gz ALQHTZSIDOBMHI-ZDUSSCGKSA-N 1 0 320.349 0.990 20 5 DCBDRO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])S(C)(=O)=O ZINC000608781955 397755200 /nfs/dbraw/zinc/75/52/00/397755200.db2.gz NDKBGJSJIKZDHE-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)N1CC[NH+](C)CC1 ZINC000608891365 397758227 /nfs/dbraw/zinc/75/82/27/397758227.db2.gz RLUBQHLMPQKKNE-LLVKDONJSA-N 1 0 309.370 0.299 20 5 DCBDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000609600031 397784543 /nfs/dbraw/zinc/78/45/43/397784543.db2.gz MHYLIIGQUVLVKB-NSHDSACASA-N 1 0 309.370 0.937 20 5 DCBDRO CN(c1c([N+](=O)[O-])ncn1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609620244 397786589 /nfs/dbraw/zinc/78/65/89/397786589.db2.gz MSEBOYVHILKDRL-ZDUSSCGKSA-N 1 0 322.413 0.933 20 5 DCBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000132764215 158314545 /nfs/dbraw/zinc/31/45/45/158314545.db2.gz OEULACIUDVULOZ-LBPRGKRZSA-N 1 0 308.338 0.213 20 5 DCBDRO Cc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000165619153 158364318 /nfs/dbraw/zinc/36/43/18/158364318.db2.gz MJOJDEXJKYIKMW-JTQLQIEISA-N 1 0 315.351 0.251 20 5 DCBDRO O=C([C@@H]1CCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000166031859 158365847 /nfs/dbraw/zinc/36/58/47/158365847.db2.gz JNXRYWQFJFPVFE-PWSUYJOCSA-N 1 0 305.338 0.755 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000178959326 158467962 /nfs/dbraw/zinc/46/79/62/158467962.db2.gz PNLOEHCSGPJTLY-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000262053885 158768347 /nfs/dbraw/zinc/76/83/47/158768347.db2.gz VEIUNQJFGJDGBT-SKDRFNHKSA-N 1 0 309.370 0.994 20 5 DCBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330597117 159200214 /nfs/dbraw/zinc/20/02/14/159200214.db2.gz SGERXETZAYAAHR-WDEREUQCSA-N 1 0 308.338 0.308 20 5 DCBDRO NC(=O)C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000348279102 159238766 /nfs/dbraw/zinc/23/87/66/159238766.db2.gz OKJKONRERJACDS-GFCCVEGCSA-N 1 0 311.342 0.052 20 5 DCBDRO O=C1[C@H](N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000359273950 159259609 /nfs/dbraw/zinc/25/96/09/159259609.db2.gz JWQIZNVWJVDDIL-TYNCELHUSA-N 1 0 316.361 0.851 20 5 DCBDRO COCCc1noc(CN(C)CCn2cc([N+](=O)[O-])cn2)n1 ZINC000151062567 287031705 /nfs/dbraw/zinc/03/17/05/287031705.db2.gz JIZNEYOSYUYJNM-UHFFFAOYSA-N 1 0 310.314 0.495 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415756106 287236846 /nfs/dbraw/zinc/23/68/46/287236846.db2.gz DHRIMNQMGGGFRB-IWIIMEHWSA-N 1 0 318.333 0.484 20 5 DCBDRO C[NH2+]CCNC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419344713 287282303 /nfs/dbraw/zinc/28/23/03/287282303.db2.gz FYPVSUFQXQIPSF-UHFFFAOYSA-N 1 0 322.365 0.369 20 5 DCBDRO C[N@H+](C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000352365881 415150941 /nfs/dbraw/zinc/15/09/41/415150941.db2.gz YFEKVWWBJDGCOK-AWEZNQCLSA-N 1 0 323.397 0.883 20 5 DCBDRO COc1ccc(OCC[N@H+](C)[C@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000352792129 415318066 /nfs/dbraw/zinc/31/80/66/415318066.db2.gz KRNSERRIQRRCBP-QWHCGFSZSA-N 1 0 312.322 0.674 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352805147 415330034 /nfs/dbraw/zinc/33/00/34/415330034.db2.gz RCZJJTHHKAQHAO-KGLIPLIRSA-N 1 0 323.349 0.923 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278819162 415491517 /nfs/dbraw/zinc/49/15/17/415491517.db2.gz POQJCPVOJAKMRN-STQMWFEESA-N 1 0 309.322 0.269 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000289865603 415727706 /nfs/dbraw/zinc/72/77/06/415727706.db2.gz CYVIBWYFDOTCMT-ZDUSSCGKSA-N 1 0 321.381 0.948 20 5 DCBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000343723191 415699508 /nfs/dbraw/zinc/69/95/08/415699508.db2.gz NCBHFGVOWDNSAM-PWSUYJOCSA-N 1 0 309.322 0.155 20 5 DCBDRO CO[C@H]1C[C@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])[N@H+](C)C1 ZINC000343876917 415763681 /nfs/dbraw/zinc/76/36/81/415763681.db2.gz WGNZMXOIPLWWSM-MNOVXSKESA-N 1 0 322.365 0.849 20 5 DCBDRO COCC[NH+]1CCC(Nc2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000290506161 415812305 /nfs/dbraw/zinc/81/23/05/415812305.db2.gz DXDXIZWIDHLRGG-UHFFFAOYSA-N 1 0 323.353 0.611 20 5 DCBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@H]1[NH+]1CCCC1 ZINC000356114935 415872791 /nfs/dbraw/zinc/87/27/91/415872791.db2.gz JFLXVCIXMRWDFU-GHMZBOCLSA-N 1 0 324.410 0.983 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000126351087 415873442 /nfs/dbraw/zinc/87/34/42/415873442.db2.gz DLUDBAXXSJGXIA-ZJUUUORDSA-N 1 0 322.321 0.271 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000125312139 415864853 /nfs/dbraw/zinc/86/48/53/415864853.db2.gz HXKYKXWBMXFMIX-SECBINFHSA-N 1 0 316.317 0.870 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+]1CCC1 ZINC000337293391 415939819 /nfs/dbraw/zinc/93/98/19/415939819.db2.gz NSRDVNBMUZCAEF-NSHDSACASA-N 1 0 320.349 0.535 20 5 DCBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000297018432 415946992 /nfs/dbraw/zinc/94/69/92/415946992.db2.gz GVFLNEGEJKOYID-PWSUYJOCSA-N 1 0 309.370 0.975 20 5 DCBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C[NH+]1CCN(C)CC1 ZINC000298970053 416042369 /nfs/dbraw/zinc/04/23/69/416042369.db2.gz DHPOODHIBVKAAF-LLVKDONJSA-N 1 0 309.370 0.536 20 5 DCBDRO [NH3+]C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000358131781 416197979 /nfs/dbraw/zinc/19/79/79/416197979.db2.gz WDVVWLAFTNNOTG-LBPRGKRZSA-N 1 0 319.321 0.804 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000330636259 416220505 /nfs/dbraw/zinc/22/05/05/416220505.db2.gz FCGHJGIKXKUOIS-JTQLQIEISA-N 1 0 311.342 0.087 20 5 DCBDRO Cc1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358437692 416238594 /nfs/dbraw/zinc/23/85/94/416238594.db2.gz DYSKWWREOOTUNY-SNVBAGLBSA-N 1 0 315.351 0.251 20 5 DCBDRO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C[NH3+])C1 ZINC000359204472 416313567 /nfs/dbraw/zinc/31/35/67/416313567.db2.gz DOKSCWYCQRZFCT-JQWIXIFHSA-N 1 0 308.338 0.877 20 5 DCBDRO [NH3+][C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000193249903 416314473 /nfs/dbraw/zinc/31/44/73/416314473.db2.gz OGVAQDFBHSCDEA-VIFPVBQESA-N 1 0 322.346 0.865 20 5 DCBDRO COc1cc(CCNC(=O)C[NH+](C)C)c([N+](=O)[O-])cc1OC ZINC000193552479 416317492 /nfs/dbraw/zinc/31/74/92/416317492.db2.gz WBEBLIIOSTUJQT-UHFFFAOYSA-N 1 0 311.338 0.832 20 5 DCBDRO COc1cc(S(=O)(=O)NC2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000359306492 416321133 /nfs/dbraw/zinc/32/11/33/416321133.db2.gz MKEBLYWAMAICCN-UHFFFAOYSA-N 1 0 301.324 0.371 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000415443161 416343375 /nfs/dbraw/zinc/34/33/75/416343375.db2.gz BYOPQYMVSZWVRG-GFCCVEGCSA-N 1 0 306.322 0.695 20 5 DCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415500638 416345905 /nfs/dbraw/zinc/34/59/05/416345905.db2.gz SVHRIDWBEPWRTO-LBPRGKRZSA-N 1 0 306.322 0.744 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415743946 416353207 /nfs/dbraw/zinc/35/32/07/416353207.db2.gz NYUSLNJKVGUSIL-UHFFFAOYSA-N 1 0 322.321 0.362 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415865964 416356369 /nfs/dbraw/zinc/35/63/69/416356369.db2.gz JIQIQQYVIAASFM-GHMZBOCLSA-N 1 0 318.333 0.601 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000420284958 416417693 /nfs/dbraw/zinc/41/76/93/416417693.db2.gz YVPMNIUBJWYXQS-GFCCVEGCSA-N 1 0 301.350 1.459 20 5 DCBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423723540 416549859 /nfs/dbraw/zinc/54/98/59/416549859.db2.gz LQZCAWQSBPPPTJ-HZMBPMFUSA-N 1 0 301.306 1.409 20 5 DCBDRO O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423418345 416507721 /nfs/dbraw/zinc/50/77/21/416507721.db2.gz UMNQTAQLHFKCOJ-HFAKWTLXSA-N 1 0 317.349 0.755 20 5 DCBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000364806129 416594765 /nfs/dbraw/zinc/59/47/65/416594765.db2.gz IOJPOXXUKBFRCI-JTQLQIEISA-N 1 0 322.369 0.657 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000423943779 416596742 /nfs/dbraw/zinc/59/67/42/416596742.db2.gz GRKHDUBIVCLNGS-NRUUGDAUSA-N 1 0 320.349 0.519 20 5 DCBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1[NH3+] ZINC000423971405 416599084 /nfs/dbraw/zinc/59/90/84/416599084.db2.gz HAFHRYPNQNRKHI-MWLCHTKSSA-N 1 0 321.333 0.714 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000424029523 416605784 /nfs/dbraw/zinc/60/57/84/416605784.db2.gz YECKRXQATZQISE-ZDUSSCGKSA-N 1 0 309.322 0.550 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000424024676 416605792 /nfs/dbraw/zinc/60/57/92/416605792.db2.gz QZJZFQFKWMHIEI-NSHDSACASA-N 1 0 308.338 0.583 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000439156234 416609028 /nfs/dbraw/zinc/60/90/28/416609028.db2.gz LLUKAJSGHNWQOS-QWRGUYRKSA-N 1 0 322.365 0.585 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C1 ZINC000362946642 416571881 /nfs/dbraw/zinc/57/18/81/416571881.db2.gz YOQGBNGBBDYBEH-LLVKDONJSA-N 1 0 321.385 0.183 20 5 DCBDRO [NH3+][C@H](Cc1ccccc1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000423913024 416588307 /nfs/dbraw/zinc/58/83/07/416588307.db2.gz WOGWRZZNIDLDNK-CYBMUJFWSA-N 1 0 303.322 0.478 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000440844157 416650937 /nfs/dbraw/zinc/65/09/37/416650937.db2.gz MHCAUENASUTDRK-UHFFFAOYSA-N 1 0 321.330 0.582 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC2=CC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000440845628 416651237 /nfs/dbraw/zinc/65/12/37/416651237.db2.gz JWXHCAGDVPCOBH-UHFFFAOYSA-N 1 0 315.355 0.009 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000610485222 416656920 /nfs/dbraw/zinc/65/69/20/416656920.db2.gz OQISVUGDCOFIJZ-CQSZACIVSA-N 1 0 322.413 0.503 20 5 DCBDRO Nc1nc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000610489097 416658464 /nfs/dbraw/zinc/65/84/64/416658464.db2.gz APXIYJSXEIPFDH-NSHDSACASA-N 1 0 322.369 0.658 20 5 DCBDRO CCOC(=O)CC[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441507165 416673060 /nfs/dbraw/zinc/67/30/60/416673060.db2.gz UKZSOPUJSJBNSF-LLVKDONJSA-N 1 0 300.315 0.037 20 5 DCBDRO Nc1nc(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ncc1[N+](=O)[O-] ZINC000517042468 416777560 /nfs/dbraw/zinc/77/75/60/416777560.db2.gz VZGNKTPPJQRMSN-DTORHVGOSA-N 1 0 311.367 0.922 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000427691267 416837171 /nfs/dbraw/zinc/83/71/71/416837171.db2.gz WXKVQKMGXGLVQO-CQSZACIVSA-N 1 0 309.322 0.400 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000428434734 416897480 /nfs/dbraw/zinc/89/74/80/416897480.db2.gz AZFIFAUYTWHZFG-QWRGUYRKSA-N 1 0 324.385 0.648 20 5 DCBDRO CCc1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000565715851 417009816 /nfs/dbraw/zinc/00/98/16/417009816.db2.gz BNURIYQEJXPKEU-PJXYFTJBSA-N 1 0 311.363 0.653 20 5 DCBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568528991 417147613 /nfs/dbraw/zinc/14/76/13/417147613.db2.gz IPOSTDDBZXCBCC-SNVBAGLBSA-N 1 0 307.354 0.986 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449583273 417153503 /nfs/dbraw/zinc/15/35/03/417153503.db2.gz AWEOXMFSKMUSRZ-MRTMQBJTSA-N 1 0 312.374 0.679 20 5 DCBDRO CC(C)(C)OC(=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569232229 417230746 /nfs/dbraw/zinc/23/07/46/417230746.db2.gz OWXBGOPQVVSNLS-NSHDSACASA-N 1 0 314.342 0.474 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000449712786 417169627 /nfs/dbraw/zinc/16/96/27/417169627.db2.gz UGZUBGUIQVJGPN-NSHDSACASA-N 1 0 308.338 0.501 20 5 DCBDRO C[C@@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])c(N)n2)CCCO1 ZINC000432872286 417212403 /nfs/dbraw/zinc/21/24/03/417212403.db2.gz LQFXYUXDWDLHJF-SNVBAGLBSA-N 1 0 310.358 0.302 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000449702995 417167150 /nfs/dbraw/zinc/16/71/50/417167150.db2.gz SYPMIRMSJUZBIG-LBPRGKRZSA-N 1 0 321.381 0.417 20 5 DCBDRO CO[C@@H](C[NH3+])CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000570393086 417348873 /nfs/dbraw/zinc/34/88/73/417348873.db2.gz NGEIPJDSZRUWFT-LLVKDONJSA-N 1 0 319.321 1.287 20 5 DCBDRO CO[C@H](C[NH3+])CC(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000570393089 417349460 /nfs/dbraw/zinc/34/94/60/417349460.db2.gz NGEIPJDSZRUWFT-NSHDSACASA-N 1 0 319.321 1.287 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000570501662 417359707 /nfs/dbraw/zinc/35/97/07/417359707.db2.gz MMTRRRASGJOGTQ-NSHDSACASA-N 1 0 322.365 0.888 20 5 DCBDRO COC(=O)COc1ccc(CNC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414839186 417305886 /nfs/dbraw/zinc/30/58/86/417305886.db2.gz FTXJFDRSAODGER-GFCCVEGCSA-N 1 0 323.349 0.988 20 5 DCBDRO COc1ccc(CC(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000570800308 417391413 /nfs/dbraw/zinc/39/14/13/417391413.db2.gz IKRFCDMXYQUGQS-NSHDSACASA-N 1 0 309.322 0.332 20 5 DCBDRO COc1cccc(C(=O)NCCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000570800457 417392325 /nfs/dbraw/zinc/39/23/25/417392325.db2.gz NMYMIRJKZWYJRZ-UHFFFAOYSA-N 1 0 322.365 0.629 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000415358019 417373502 /nfs/dbraw/zinc/37/35/02/417373502.db2.gz SUBAUCRDYJBXHN-JTQLQIEISA-N 1 0 320.349 0.903 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415389210 417376812 /nfs/dbraw/zinc/37/68/12/417376812.db2.gz ZJGIAVUZSLLZBC-NSHDSACASA-N 1 0 320.349 0.964 20 5 DCBDRO CNc1nc(C(=O)NCCCN2CCOCC2)ccc1[N+](=O)[O-] ZINC000454164864 417548707 /nfs/dbraw/zinc/54/87/07/417548707.db2.gz SGOCNUSXJWDPCT-UHFFFAOYSA-N 1 0 323.353 0.484 20 5 DCBDRO [NH3+]CC[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(F)(F)F ZINC000576149519 417585150 /nfs/dbraw/zinc/58/51/50/417585150.db2.gz ZMOWDBSADNJBLH-QMMMGPOBSA-N 1 0 322.243 0.152 20 5 DCBDRO COc1ccc(OCCN2CCO[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358125401 261636847 /nfs/dbraw/zinc/63/68/47/261636847.db2.gz MFIPBUSGEWLACZ-GFCCVEGCSA-N 1 0 311.338 0.642 20 5 DCBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000359778376 261767127 /nfs/dbraw/zinc/76/71/27/261767127.db2.gz NVUVCUQDBHGUNH-LBPRGKRZSA-N 1 0 324.381 0.993 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000361094011 261896133 /nfs/dbraw/zinc/89/61/33/261896133.db2.gz DTPBTRYKMUXQOW-UHFFFAOYSA-N 1 0 318.293 0.307 20 5 DCBDRO COC(=O)[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cn2)CC[N@H+](C)C1 ZINC000413507347 262214694 /nfs/dbraw/zinc/21/46/94/262214694.db2.gz WHBLFUOUAPTVDR-NSHDSACASA-N 1 0 308.338 0.839 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417235717 262248164 /nfs/dbraw/zinc/24/81/64/262248164.db2.gz SAOLNNGFJNVXRY-AWEZNQCLSA-N 1 0 321.381 0.340 20 5 DCBDRO CCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC000417906260 262264532 /nfs/dbraw/zinc/26/45/32/262264532.db2.gz FHSLALMBECKELY-NSHDSACASA-N 1 0 310.358 0.575 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NCCN1CC[NH2+]CC1 ZINC000417945168 262266043 /nfs/dbraw/zinc/26/60/43/262266043.db2.gz QDSVTPPFROHSJB-UHFFFAOYSA-N 1 0 321.381 0.342 20 5 DCBDRO C[C@H](NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000418227180 262272666 /nfs/dbraw/zinc/27/26/66/262272666.db2.gz BSSQPFJOGCWOFG-XDTLVQLUSA-N 1 0 308.338 0.630 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419158407 262314727 /nfs/dbraw/zinc/31/47/27/262314727.db2.gz XOCVZSJXICMCIH-VHSXEESVSA-N 1 0 306.322 0.332 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000419988087 262355842 /nfs/dbraw/zinc/35/58/42/262355842.db2.gz XRQIEFYITGLOJS-GFCCVEGCSA-N 1 0 322.365 0.653 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000428429202 262585488 /nfs/dbraw/zinc/58/54/88/262585488.db2.gz FIBSKMZBBJEYAS-LLVKDONJSA-N 1 0 321.333 0.729 20 5 DCBDRO CO[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359220099 271106924 /nfs/dbraw/zinc/10/69/24/271106924.db2.gz IJGHJJXWHWKNQJ-NEPJUHHUSA-N 1 0 322.365 0.971 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2cccc(F)c2)c1 ZINC000359626786 271133657 /nfs/dbraw/zinc/13/36/57/271133657.db2.gz RLWFQHFQHLXNTB-KBPBESRZSA-N 1 0 324.312 0.615 20 5 DCBDRO CCn1c(CC[NH3+])nnc1Sc1c([N+](=O)[O-])c(C)nn1C ZINC000359768560 271141207 /nfs/dbraw/zinc/14/12/07/271141207.db2.gz OZXDRQQADOYPGS-UHFFFAOYSA-N 1 0 311.371 0.901 20 5 DCBDRO CC[C@H]([NH3+])CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420439697 271370008 /nfs/dbraw/zinc/37/00/08/271370008.db2.gz MMQHCOLTMBLNFN-NSHDSACASA-N 1 0 301.368 0.794 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000422764920 271383819 /nfs/dbraw/zinc/38/38/19/271383819.db2.gz OVDIONQWZDNNPY-NSHDSACASA-N 1 0 306.322 0.193 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557119 272135401 /nfs/dbraw/zinc/13/54/01/272135401.db2.gz BLGQTJSSNOHROD-SJDLMVEWSA-N 1 0 323.324 0.930 20 5 DCBDRO COC(=O)Nc1ccc(S(=O)(=O)NCC[NH3+])cc1[N+](=O)[O-] ZINC000496683861 272335286 /nfs/dbraw/zinc/33/52/86/272335286.db2.gz PZKXQFASUWTDEJ-UHFFFAOYSA-N 1 0 318.311 0.010 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069240 272528382 /nfs/dbraw/zinc/52/83/82/272528382.db2.gz CZCKOANKISPCGO-TZMCWYRMSA-N 1 0 320.349 0.217 20 5 DCBDRO CO[C@H](C[NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261980443 277327934 /nfs/dbraw/zinc/32/79/34/277327934.db2.gz AIPQZLOSMJAUBX-CYBMUJFWSA-N 1 0 308.338 0.217 20 5 DCBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000549176061 288193955 /nfs/dbraw/zinc/19/39/55/288193955.db2.gz KWEGRDXRICALIH-UHFFFAOYSA-N 1 0 324.385 0.321 20 5 DCBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549204045 288194602 /nfs/dbraw/zinc/19/46/02/288194602.db2.gz FJNHGBOJVGBONI-SNVBAGLBSA-N 1 0 311.342 0.501 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000564995036 288805143 /nfs/dbraw/zinc/80/51/43/288805143.db2.gz HFCPGVPSEPUHDF-ZJUUUORDSA-N 1 0 324.337 0.646 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565548306 288861677 /nfs/dbraw/zinc/86/16/77/288861677.db2.gz GOECLQQRMGLDNW-MWLCHTKSSA-N 1 0 322.296 0.118 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000050241884 295195843 /nfs/dbraw/zinc/19/58/43/295195843.db2.gz JCPORSZUXYVDJE-QMMMGPOBSA-N 1 0 301.324 0.325 20 5 DCBDRO [NH3+][C@H](CNC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000261993248 295331903 /nfs/dbraw/zinc/33/19/03/295331903.db2.gz YRIXGMDIRSIQNU-SNVBAGLBSA-N 1 0 307.306 0.833 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)NCc1cccc([N+](=O)[O-])c1 ZINC000584399783 337318574 /nfs/dbraw/zinc/31/85/74/337318574.db2.gz SVVBVLRKJRJMES-UHFFFAOYSA-N 1 0 307.354 0.299 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1cc[nH]c(=O)c1 ZINC000575252555 341790168 /nfs/dbraw/zinc/79/01/68/341790168.db2.gz OZWUKEJYFHOWQC-JOYOIKCWSA-N 1 0 307.310 0.604 20 5 DCBDRO Nc1c(C(=O)N2CCC(O)(C[NH3+])CC2)cc(F)cc1[N+](=O)[O-] ZINC000576106737 341827131 /nfs/dbraw/zinc/82/71/31/341827131.db2.gz KAFDEGUQGLLHKS-UHFFFAOYSA-N 1 0 312.301 0.242 20 5 DCBDRO [NH3+]CCCn1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000577097406 341885707 /nfs/dbraw/zinc/88/57/07/341885707.db2.gz AHDYOFKXRXFODX-UHFFFAOYSA-N 1 0 304.310 0.465 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(O)cc2)c1 ZINC000577365818 341906062 /nfs/dbraw/zinc/90/60/62/341906062.db2.gz IRDZDGNWHWISNN-CQSZACIVSA-N 1 0 306.322 0.690 20 5 DCBDRO [NH3+]CCC1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000577617847 341923831 /nfs/dbraw/zinc/92/38/31/341923831.db2.gz PWMTUPKASYUUJJ-UHFFFAOYSA-N 1 0 310.358 0.562 20 5 DCBDRO CS[C@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1[NH+](C)C ZINC000332655680 534120962 /nfs/dbraw/zinc/12/09/62/534120962.db2.gz DVCGDJDIUQPDBB-ZJUUUORDSA-N 1 0 313.383 0.446 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415786795 534366996 /nfs/dbraw/zinc/36/69/96/534366996.db2.gz PUJSDULMCNOQNE-GXFFZTMASA-N 1 0 318.333 0.744 20 5 DCBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000157514319 519423605 /nfs/dbraw/zinc/42/36/05/519423605.db2.gz SYAZVUGUMPVQGS-CQSZACIVSA-N 1 0 310.354 0.636 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000191623378 521682652 /nfs/dbraw/zinc/68/26/52/521682652.db2.gz FMVVPDSJTLSHCQ-UHFFFAOYSA-N 1 0 321.381 0.544 20 5 DCBDRO COc1cc(CNC[C@@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000131483418 522458937 /nfs/dbraw/zinc/45/89/37/522458937.db2.gz BZAQNAWAXLQXNV-CQSZACIVSA-N 1 0 313.354 0.711 20 5 DCBDRO COc1cc(OCC(=O)N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-] ZINC000188444939 522890349 /nfs/dbraw/zinc/89/03/49/522890349.db2.gz QFJRAAYFLBBHAC-SNVBAGLBSA-N 1 0 309.322 0.803 20 5 DCBDRO C[N@H+](CCc1nccs1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000158012347 522991832 /nfs/dbraw/zinc/99/18/32/522991832.db2.gz WERFNYXDHMEYCA-LLVKDONJSA-N 1 0 311.367 0.783 20 5 DCBDRO COC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566844 523683929 /nfs/dbraw/zinc/68/39/29/523683929.db2.gz ZXAFYLSKSNGXPX-ZYHUDNBSSA-N 1 0 312.326 0.037 20 5 DCBDRO COCC[NH2+]CCNC(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000237276492 523937235 /nfs/dbraw/zinc/93/72/35/523937235.db2.gz JINWEZQQTVSYRS-UHFFFAOYSA-N 1 0 313.358 0.150 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000262769286 525018887 /nfs/dbraw/zinc/01/88/87/525018887.db2.gz UCGJGHIQONTEDD-ZYHUDNBSSA-N 1 0 308.338 0.485 20 5 DCBDRO C[C@@H]1CSCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249022960 525166820 /nfs/dbraw/zinc/16/68/20/525166820.db2.gz LBCVBQURENLKFH-CMPLNLGQSA-N 1 0 300.384 0.837 20 5 DCBDRO NC(=O)c1ccc(NCC[N@@H+]2CCCOCC2)c([N+](=O)[O-])c1 ZINC000188499814 527067876 /nfs/dbraw/zinc/06/78/76/527067876.db2.gz SNYSKSONZBURKJ-UHFFFAOYSA-N 1 0 308.338 0.828 20 5 DCBDRO [NH3+][C@@H](CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000238046250 527333407 /nfs/dbraw/zinc/33/34/07/527333407.db2.gz PRVQOMJQEBLXKD-NSHDSACASA-N 1 0 316.321 0.643 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265974726 527378822 /nfs/dbraw/zinc/37/88/22/527378822.db2.gz JVJUNZRJUZBMKB-GFCCVEGCSA-N 1 0 307.354 0.736 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000237850232 527411204 /nfs/dbraw/zinc/41/12/04/527411204.db2.gz PCPVFOCKNGVOAH-NSHDSACASA-N 1 0 301.306 0.954 20 5 DCBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736757709 598500849 /nfs/dbraw/zinc/50/08/49/598500849.db2.gz WYLYIDSDLBNFDO-VIFPVBQESA-N 1 0 318.341 0.700 20 5 DCBDRO COc1cc([N+](=O)[O-])cnc1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000891764000 657728570 /nfs/dbraw/zinc/72/85/70/657728570.db2.gz GZUUBRACZGYBSV-UHFFFAOYSA-N 1 0 323.353 0.209 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000050246444 658171573 /nfs/dbraw/zinc/17/15/73/658171573.db2.gz YTRFNZKMQWGKLZ-SECBINFHSA-N 1 0 315.351 0.573 20 5 DCBDRO CCc1onc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064140 658822274 /nfs/dbraw/zinc/82/22/74/658822274.db2.gz YCYKAQONDJDMJZ-LSCVPOLPSA-N 1 0 322.365 0.947 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000892795195 659460250 /nfs/dbraw/zinc/46/02/50/659460250.db2.gz ZHFPTVYDWHYROY-CQSZACIVSA-N 1 0 307.354 0.851 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cscn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983658440 662002407 /nfs/dbraw/zinc/00/24/07/662002407.db2.gz WCHINCAZEWJKTJ-CNVPUSNMSA-N 1 0 310.379 0.793 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000989835908 662982089 /nfs/dbraw/zinc/98/20/89/662982089.db2.gz FJDWAPZRKIUSKE-UHFFFAOYSA-N 1 0 307.354 0.819 20 5 DCBDRO CN1CCOC[C@]1(CO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903277200 663451487 /nfs/dbraw/zinc/45/14/87/663451487.db2.gz FCBIPFAMAGGUEV-GDBMZVCRSA-N 1 0 321.377 0.865 20 5 DCBDRO O=[N+]([O-])CC[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000905158126 663534021 /nfs/dbraw/zinc/53/40/21/663534021.db2.gz DLCMBIIZCCVJJE-UHFFFAOYSA-N 1 0 305.278 0.167 20 5 DCBDRO CN(CC[NH2+]CC[N+](=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000905245968 663541981 /nfs/dbraw/zinc/54/19/81/663541981.db2.gz ZZJGLRZVLCABRB-UHFFFAOYSA-N 1 0 305.331 0.313 20 5 DCBDRO CC(C)(C)OC(=O)NC1CCN(CC[NH2+]CC[N+](=O)[O-])CC1 ZINC000905527337 663563714 /nfs/dbraw/zinc/56/37/14/663563714.db2.gz APJNISTUBMKACP-UHFFFAOYSA-N 1 0 316.402 0.842 20 5 DCBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000912113674 664141612 /nfs/dbraw/zinc/14/16/12/664141612.db2.gz QCJWHQCPXZILAV-SUNKGSAMSA-N 1 0 304.350 0.978 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@]3(C)C[NH+](C)C[C@]3(C)C2)n1 ZINC000913284103 664297837 /nfs/dbraw/zinc/29/78/37/664297837.db2.gz MKIRRIHALIMLJF-ZIAGYGMSSA-N 1 0 307.354 0.742 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071397239 666060149 /nfs/dbraw/zinc/06/01/49/666060149.db2.gz GGIRRXUTLDJHQB-VIFPVBQESA-N 1 0 315.351 0.634 20 5 DCBDRO Cc1cnc(CN2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC001002784222 666221042 /nfs/dbraw/zinc/22/10/42/666221042.db2.gz ZTERAVCDRMAHGX-VXGBXAGGSA-N 1 0 308.338 0.729 20 5 DCBDRO Cn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001002788049 666222098 /nfs/dbraw/zinc/22/20/98/666222098.db2.gz LZXNAFPNHPQWRO-ZIAGYGMSSA-N 1 0 321.381 0.208 20 5 DCBDRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c(N)c([N+](=O)[O-])c1 ZINC000863322012 667128833 /nfs/dbraw/zinc/12/88/33/667128833.db2.gz LOXNUNZTPHKQDT-SNVBAGLBSA-N 1 0 308.338 0.282 20 5 DCBDRO Cc1cc(F)cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000863832260 667187929 /nfs/dbraw/zinc/18/79/29/667187929.db2.gz WJYHBMKLAQCEHF-NSHDSACASA-N 1 0 311.313 0.839 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1 ZINC000923385012 667522124 /nfs/dbraw/zinc/52/21/24/667522124.db2.gz SGHLPYPACKYNOL-KFWWJZLASA-N 1 0 307.350 0.691 20 5 DCBDRO C[NH+](C)CCN1CCN(Cc2cccnc2[N+](=O)[O-])CC1=O ZINC000886267519 667749573 /nfs/dbraw/zinc/74/95/73/667749573.db2.gz PEZCMIQTHDYMHP-UHFFFAOYSA-N 1 0 307.354 0.196 20 5 DCBDRO C[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000871815544 667853181 /nfs/dbraw/zinc/85/31/81/667853181.db2.gz YPUWBTHARMAAEF-GZMMTYOYSA-N 1 0 317.392 0.886 20 5 DCBDRO CC1(C)CC[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000872294040 667887795 /nfs/dbraw/zinc/88/77/95/667887795.db2.gz RQNRPLDHQJXXSL-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000747232254 667897851 /nfs/dbraw/zinc/89/78/51/667897851.db2.gz VLICREXRJNZNHZ-JQWIXIFHSA-N 1 0 308.338 0.526 20 5 DCBDRO Cn1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232052 667898348 /nfs/dbraw/zinc/89/83/48/667898348.db2.gz QBIUBCDSESKHCG-GHMZBOCLSA-N 1 0 308.338 0.526 20 5 DCBDRO C[NH+](C)C[C@H]1NC(=O)N(CCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000924514728 668213879 /nfs/dbraw/zinc/21/38/79/668213879.db2.gz SNEYLWSDMQIJSE-GFCCVEGCSA-N 1 0 306.322 0.619 20 5 DCBDRO C[N@@H+]1CCCN(C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000876805853 668514526 /nfs/dbraw/zinc/51/45/26/668514526.db2.gz GLWIDVBQYMEBFF-HNNXBMFYSA-N 1 0 306.366 0.933 20 5 DCBDRO CS(=O)(=O)CCOCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000877045135 668557198 /nfs/dbraw/zinc/55/71/98/668557198.db2.gz QKAJOUXIRJBYCM-UHFFFAOYSA-N 1 0 316.379 0.788 20 5 DCBDRO NC(=O)NC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776593591 668878751 /nfs/dbraw/zinc/87/87/51/668878751.db2.gz YGOKDBWFOYTJSK-ZDUSSCGKSA-N 1 0 308.338 0.761 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@H]21 ZINC000879072124 668979398 /nfs/dbraw/zinc/97/93/98/668979398.db2.gz RNCTUXOXUYNREB-CMPLNLGQSA-N 1 0 305.338 0.970 20 5 DCBDRO O=[N+]([O-])CCN1CCCC2(CCC[N@H+](CC[N+](=O)[O-])C2)C1 ZINC000930510587 669031800 /nfs/dbraw/zinc/03/18/00/669031800.db2.gz AHOCZEFLNVPHEI-UHFFFAOYSA-N 1 0 300.359 0.718 20 5 DCBDRO CN1CC[NH+](C2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC000879592774 669069931 /nfs/dbraw/zinc/06/99/31/669069931.db2.gz PLFGQFOHYLTJEK-UHFFFAOYSA-N 1 0 322.413 0.503 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000930874170 669098586 /nfs/dbraw/zinc/09/85/86/669098586.db2.gz FDYQAOSOKPPRMJ-ZYHUDNBSSA-N 1 0 305.338 0.888 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)n1 ZINC000879930879 669127068 /nfs/dbraw/zinc/12/70/68/669127068.db2.gz ILJNAHFTNYNVJU-WDEREUQCSA-N 1 0 314.367 0.158 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725305 669255292 /nfs/dbraw/zinc/25/52/92/669255292.db2.gz WOZYNGZCFLVQGY-OUCADQQQSA-N 1 0 309.370 0.321 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935399290 669717307 /nfs/dbraw/zinc/71/73/07/669717307.db2.gz IOWJJDRKUKTFNN-LZWOXQAQSA-N 1 0 319.361 0.881 20 5 DCBDRO Cc1nn(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000794711865 669860672 /nfs/dbraw/zinc/86/06/72/669860672.db2.gz KZLPPHIBRJDBKG-CQSZACIVSA-N 1 0 318.337 0.803 20 5 DCBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]21 ZINC000794952040 669868173 /nfs/dbraw/zinc/86/81/73/669868173.db2.gz KHTKPECOTDGOOC-PJXYFTJBSA-N 1 0 307.306 0.107 20 5 DCBDRO CCNS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592236 670751462 /nfs/dbraw/zinc/75/14/62/670751462.db2.gz CHGLRXYZPQDBHB-VIFPVBQESA-N 1 0 316.383 0.767 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CCC[NH2+]3)C2)nc1 ZINC000850588324 670921166 /nfs/dbraw/zinc/92/11/66/670921166.db2.gz BFAHHXQMGBLSAD-LBPRGKRZSA-N 1 0 312.351 0.506 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N2CC(C[NH+]3CCN(C)CC3)C2)n1 ZINC000858611867 671021634 /nfs/dbraw/zinc/02/16/34/671021634.db2.gz UQWFUECBWKKEIE-UHFFFAOYSA-N 1 0 305.382 0.982 20 5 DCBDRO NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819157131 671099534 /nfs/dbraw/zinc/09/95/34/671099534.db2.gz UKSAWJZWQQKQJB-AGIUHOORSA-N 1 0 309.322 0.251 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3nnnn3CC2)c1 ZINC000819375974 671115547 /nfs/dbraw/zinc/11/55/47/671115547.db2.gz XNEFCCVNEGJKSA-AAEUAGOBSA-N 1 0 318.337 0.609 20 5 DCBDRO [NH3+]CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)CO ZINC000852754108 671156849 /nfs/dbraw/zinc/15/68/49/671156849.db2.gz PYPRTAKTRJAVJO-LLVKDONJSA-N 1 0 303.746 0.362 20 5 DCBDRO CN(CC1C[NH+](C)C1)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000853555971 671243344 /nfs/dbraw/zinc/24/33/44/671243344.db2.gz UERHYXYBWDCMHL-UHFFFAOYSA-N 1 0 318.333 0.642 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000841174091 671918115 /nfs/dbraw/zinc/91/81/15/671918115.db2.gz TVSLDCWUSMBOFK-MRVPVSSYSA-N 1 0 324.312 0.801 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)[C@@H](C)[NH3+])c(F)ccc1[N+](=O)[O-] ZINC000841256267 671923279 /nfs/dbraw/zinc/92/32/79/671923279.db2.gz UMZPUZUPWJDOOD-SFYZADRCSA-N 1 0 312.301 0.833 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@H](O)C[NH+]2CCCC2)c1 ZINC000843061238 672057784 /nfs/dbraw/zinc/05/77/84/672057784.db2.gz CUYZPWGXJOQZBR-GJZGRUSLSA-N 1 0 309.366 0.675 20 5 DCBDRO Cn1cc([C@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843094543 672060996 /nfs/dbraw/zinc/06/09/96/672060996.db2.gz UZJRZBDQMMSJSF-ZIAGYGMSSA-N 1 0 306.322 0.685 20 5 DCBDRO COCc1cc([N+](=O)[O-])ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000845721938 672271412 /nfs/dbraw/zinc/27/14/12/672271412.db2.gz HRAVOKDMEKGEBP-CQSZACIVSA-N 1 0 307.350 0.996 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000106017703 672272050 /nfs/dbraw/zinc/27/20/50/672272050.db2.gz ACKRJGBDQMXNLT-CMPLNLGQSA-N 1 0 300.336 0.405 20 5 DCBDRO Cc1[nH]ccc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001567480466 1160386686 /nfs/dbraw/zinc/38/66/86/1160386686.db2.gz INAWCPCUXXMAOH-UHFFFAOYSA-N 1 0 320.353 0.827 20 5 DCBDRO Cc1n[nH]nc1C(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001567541927 1160413066 /nfs/dbraw/zinc/41/30/66/1160413066.db2.gz ISJPVYFWBCAVBM-UHFFFAOYSA-N 1 0 318.337 0.883 20 5 DCBDRO CN(CC[N@H+](C)Cc1ccc(CO)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568480831 1160656395 /nfs/dbraw/zinc/65/63/95/1160656395.db2.gz VNDYUGAKQRXTFY-HUUCEWRRSA-N 1 0 321.377 0.734 20 5 DCBDRO O=C(NC/C=C\C[NH2+]CC1CC(F)(F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568848176 1160814221 /nfs/dbraw/zinc/81/42/21/1160814221.db2.gz HOXZWFUSLBCLNG-JLVKAVFRSA-N 1 0 303.309 0.959 20 5 DCBDRO [NH3+][C@H]1C[C@H]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001574268380 1163680506 /nfs/dbraw/zinc/68/05/06/1163680506.db2.gz AHVDPOGHKNJODH-STQMWFEESA-N 1 0 320.349 0.342 20 5 DCBDRO CC(C)Oc1nc(N2CCN(C3C[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001575813404 1164161332 /nfs/dbraw/zinc/16/13/32/1164161332.db2.gz BPYJMBOCIBQIDU-UHFFFAOYSA-N 1 0 321.381 0.871 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC001576152796 1164253354 /nfs/dbraw/zinc/25/33/54/1164253354.db2.gz LMVDRDOMCQYLES-SECBINFHSA-N 1 0 322.321 0.126 20 5 DCBDRO COC(=O)COc1ccc(CNCC2([NH3+])CC2)cc1[N+](=O)[O-] ZINC001578813770 1165126778 /nfs/dbraw/zinc/12/67/78/1165126778.db2.gz WAPRZDNEPYSDPC-UHFFFAOYSA-N 1 0 309.322 0.728 20 5 DCBDRO COc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2OC)c([N+](=O)[O-])c1 ZINC001579228422 1165245232 /nfs/dbraw/zinc/24/52/32/1165245232.db2.gz HRGKWTFLLJPAPA-ZYHUDNBSSA-N 1 0 310.310 0.712 20 5 DCBDRO NC(=O)c1cc(N2CC[C@@]3(C2)C[NH2+]CCO3)ccc1[N+](=O)[O-] ZINC001580101211 1165502407 /nfs/dbraw/zinc/50/24/07/1165502407.db2.gz NQXXBVDBGSMTJU-AWEZNQCLSA-N 1 0 306.322 0.262 20 5 DCBDRO [NH3+]C1CCC2(CC1)CN(C(=O)Cn1ccc([N+](=O)[O-])n1)CCO2 ZINC001580173206 1165528518 /nfs/dbraw/zinc/52/85/18/1165528518.db2.gz FVORLFIYRLCFKC-UHFFFAOYSA-N 1 0 323.353 0.290 20 5 DCBDRO O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001580578394 1165643293 /nfs/dbraw/zinc/64/32/93/1165643293.db2.gz VLEFMZMKTDAHFK-WPRPVWTQSA-N 1 0 318.289 0.075 20 5 DCBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N[C@H]2C[NH2+]CC23CC3)cc1 ZINC001580874847 1165749019 /nfs/dbraw/zinc/74/90/19/1165749019.db2.gz LSEJUVUAUIPONA-LBPRGKRZSA-N 1 0 311.363 0.766 20 5 DCBDRO COc1cccc(C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001586362810 1166493562 /nfs/dbraw/zinc/49/35/62/1166493562.db2.gz FVPHHDLWBSGWLI-NWANDNLSSA-N 1 0 319.361 0.703 20 5 DCBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589887246 1166708501 /nfs/dbraw/zinc/70/85/01/1166708501.db2.gz PWOSHGDUUMZIQR-IUCAKERBSA-N 1 0 306.326 0.881 20 5 DCBDRO C[NH+]1CCC(CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001591179151 1167129875 /nfs/dbraw/zinc/12/98/75/1167129875.db2.gz BNVFPWDETYXRCE-UHFFFAOYSA-N 1 0 318.341 0.924 20 5 DCBDRO C[N@@H+]1CCCN(Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC1 ZINC001591188891 1167139361 /nfs/dbraw/zinc/13/93/61/1167139361.db2.gz SREFGFJSOGVGFL-UHFFFAOYSA-N 1 0 317.353 0.912 20 5 DCBDRO CCO[C@@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])C[NH+](C)C ZINC001595150210 1167969114 /nfs/dbraw/zinc/96/91/14/1167969114.db2.gz CGNPBVPVYFPUEY-JTQLQIEISA-N 1 0 310.354 0.874 20 5 DCBDRO C[NH+](C)C1(C)CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001595669648 1167975168 /nfs/dbraw/zinc/97/51/68/1167975168.db2.gz JFAXGNVPWHNXIA-UHFFFAOYSA-N 1 0 310.358 0.565 20 5 DCBDRO C[NH+](C)CC1CN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604679652 1169652617 /nfs/dbraw/zinc/65/26/17/1169652617.db2.gz AMHGMBYQLASUKD-UHFFFAOYSA-N 1 0 321.316 0.912 20 5 DCBDRO C[NH+](C)CC1CN(c2cc(-c3nn[nH]n3)sc2[N+](=O)[O-])C1 ZINC001604679947 1169653086 /nfs/dbraw/zinc/65/30/86/1169653086.db2.gz DRXLYYCZAKBVCA-UHFFFAOYSA-N 1 0 309.355 0.834 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC001617352323 1171387194 /nfs/dbraw/zinc/38/71/94/1171387194.db2.gz HOVOPINREVENNU-UHFFFAOYSA-N 1 0 304.310 0.654 20 5 DCBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC001621538534 1171411858 /nfs/dbraw/zinc/41/18/58/1171411858.db2.gz LYSNVILCHMADOZ-ZWNOBZJWSA-N 1 0 324.333 0.959 20 5 DCBDRO C[NH+](C)C1CN(C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)C1 ZINC001624385939 1171455034 /nfs/dbraw/zinc/45/50/34/1171455034.db2.gz CLMOKELSZJGUHV-UHFFFAOYSA-N 1 0 316.321 0.562 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001634744336 1171686646 /nfs/dbraw/zinc/68/66/46/1171686646.db2.gz FEZFDQRSMDUIIU-UHFFFAOYSA-N 1 0 316.745 0.484 20 5 DCBDRO NS(=O)(=O)c1ccc(OC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000051882994 1171764583 /nfs/dbraw/zinc/76/45/83/1171764583.db2.gz KWAAHCLMBXEOOZ-VIFPVBQESA-N 1 0 315.351 0.621 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001640128892 1171867070 /nfs/dbraw/zinc/86/70/70/1171867070.db2.gz YDCRZRDPQGPVCQ-WDEREUQCSA-N 1 0 323.353 0.298 20 5 DCBDRO C[NH+]1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001640279671 1171874581 /nfs/dbraw/zinc/87/45/81/1171874581.db2.gz FTGOLNOKYPQZFG-UHFFFAOYSA-N 1 0 322.365 0.706 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)n1 ZINC001643089207 1171964392 /nfs/dbraw/zinc/96/43/92/1171964392.db2.gz HKHYSSKEWRVZRK-NEPJUHHUSA-N 1 0 322.365 0.825 20 5 DCBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]1CO ZINC001644650815 1172012976 /nfs/dbraw/zinc/01/29/76/1172012976.db2.gz OQSDRCHEWPWSJS-LLVKDONJSA-N 1 0 307.306 0.959 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001645133254 1172029912 /nfs/dbraw/zinc/02/99/12/1172029912.db2.gz YDGSWQUIAUTDDA-GFCCVEGCSA-N 1 0 309.370 0.900 20 5 DCBDRO COC(=O)c1cc(C)nc(NCC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC001651411569 1173748519 /nfs/dbraw/zinc/74/85/19/1173748519.db2.gz CHSDRXAXKMOHDV-UHFFFAOYSA-N 1 0 312.326 0.421 20 5 DCBDRO CC[N@@H+]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)(C)C1 ZINC001652602602 1173772771 /nfs/dbraw/zinc/77/27/71/1173772771.db2.gz FMSPVRAYBLGIAR-NSHDSACASA-N 1 0 309.370 0.946 20 5 DCBDRO O=C(CC[N@@H+]1C[C@@H](O)[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654687924 1173809965 /nfs/dbraw/zinc/80/99/65/1173809965.db2.gz FLWINVCBQOACRI-GXFFZTMASA-N 1 0 309.322 0.208 20 5 DCBDRO C[C@@](CO)([NH2+]CCCS(C)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001655318126 1173818302 /nfs/dbraw/zinc/81/83/02/1173818302.db2.gz RSAYVOCFNDCHIE-ZDUSSCGKSA-N 1 0 316.379 0.827 20 5 DCBDRO COC[C@](C)(CO)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC001659755291 1173935834 /nfs/dbraw/zinc/93/58/34/1173935834.db2.gz KUCTUIQVMPOBRJ-AWEZNQCLSA-N 1 0 311.338 0.829 20 5 DCBDRO COc1c(O)ccc(C[NH2+]CCN2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC001665382512 1174513804 /nfs/dbraw/zinc/51/38/04/1174513804.db2.gz AZTDWORROAFSRN-NSHDSACASA-N 1 0 311.338 0.465 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCOC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001688903043 1176652546 /nfs/dbraw/zinc/65/25/46/1176652546.db2.gz UXZKGTYMPUSUCS-ZMJPVWNMSA-N 1 0 311.382 0.705 20 5 DCBDRO C[NH+](C)CCC(=O)NC1CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC001692228102 1177451527 /nfs/dbraw/zinc/45/15/27/1177451527.db2.gz VWCBEUIDCLOMTC-UHFFFAOYSA-N 1 0 312.395 0.908 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC(F)(F)F ZINC001714693951 1181485038 /nfs/dbraw/zinc/48/50/38/1181485038.db2.gz VBYSZBVTLCHZHA-UHFFFAOYSA-N 1 0 323.275 0.829 20 5 DCBDRO NC(=O)CC(=O)NC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001715796680 1182007033 /nfs/dbraw/zinc/00/70/33/1182007033.db2.gz BUNXMHGRTASCDY-OWOJBTEDSA-N 1 0 306.322 0.232 20 5 DCBDRO CCN(CC[NH2+]Cc1cccc(OC)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716216700 1182260157 /nfs/dbraw/zinc/26/01/57/1182260157.db2.gz FDQUOHGUKNFYPZ-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cn[nH]n1 ZINC001716552863 1182438278 /nfs/dbraw/zinc/43/82/78/1182438278.db2.gz ZGLRPJSLPVJTHN-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO O=C(NC1(C[NH2+]CCC2CC2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724915346 1184617408 /nfs/dbraw/zinc/61/74/08/1184617408.db2.gz JFGRGETYNZEWJN-CHWSQXEVSA-N 1 0 311.382 0.707 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1C[NH2+]C1 ZINC000261927783 1185159156 /nfs/dbraw/zinc/15/91/56/1185159156.db2.gz KGRXJWIYCWTKMI-SECBINFHSA-N 1 0 306.322 0.049 20 5 DCBDRO CCC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001731898409 1185555728 /nfs/dbraw/zinc/55/57/28/1185555728.db2.gz NZKQLKYPQPPYQC-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO CC(C)OCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001734268380 1186598520 /nfs/dbraw/zinc/59/85/20/1186598520.db2.gz NDMXYGGRJRJGTD-ZIAGYGMSSA-N 1 0 313.398 0.999 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001164671897 719396766 /nfs/dbraw/zinc/39/67/66/719396766.db2.gz ZJQJOOLKTUDQGS-VHSXEESVSA-N 1 0 314.729 0.401 20 5 DCBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921942 721868214 /nfs/dbraw/zinc/86/82/14/721868214.db2.gz FDNJRWZFMPDFFH-STQMWFEESA-N 1 0 320.397 0.787 20 5 DCBDRO CCNC(=O)CCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124726432 751698609 /nfs/dbraw/zinc/69/86/09/751698609.db2.gz ADCGTOZFXCHEAU-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO [NH3+][C@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)C[C@H]1O ZINC001167090282 746969710 /nfs/dbraw/zinc/96/97/10/746969710.db2.gz YPFKATRUFOMQHE-GXFFZTMASA-N 1 0 301.306 0.560 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCC2SCCS2)c1 ZINC000693777368 747462706 /nfs/dbraw/zinc/46/27/06/747462706.db2.gz ONOXSNZBNWFNJR-SNVBAGLBSA-N 1 0 318.424 0.938 20 5 DCBDRO Cn1ncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1N ZINC001126099540 748218880 /nfs/dbraw/zinc/21/88/80/748218880.db2.gz ROAIUNJMQMCGFV-UHFFFAOYSA-N 1 0 318.337 0.430 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])c(OC)nc1C ZINC001167898811 748471198 /nfs/dbraw/zinc/47/11/98/748471198.db2.gz DFKQNEBCAUPBKR-SECBINFHSA-N 1 0 312.326 0.999 20 5 DCBDRO C[N+](C)(C)CCCOC[C@H]1COCCOCCOCCO1 ZINC001224622523 750153854 /nfs/dbraw/zinc/15/38/54/750153854.db2.gz HFMRCUFAGRIQNC-HNNXBMFYSA-N 1 0 306.423 0.548 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124081551 750172142 /nfs/dbraw/zinc/17/21/42/750172142.db2.gz YJILDVBYLAZXHC-MRVPVSSYSA-N 1 0 305.331 0.868 20 5 DCBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC001168731513 753934452 /nfs/dbraw/zinc/93/44/52/753934452.db2.gz MLPIUPPXUGHWGP-UHFFFAOYSA-N 1 0 304.310 0.623 20 5 DCBDRO COc1nc(-n2[nH]c(=O)c(CC[NH3+])c2C)nc(C)c1[N+](=O)[O-] ZINC001170341000 762623547 /nfs/dbraw/zinc/62/35/47/762623547.db2.gz WLWIGRKISZWJKG-UHFFFAOYSA-N 1 0 308.298 0.403 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2nccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083153 759693145 /nfs/dbraw/zinc/69/31/45/759693145.db2.gz PDBRXSJIILJINT-LMLFDSFASA-N 1 0 310.379 0.793 20 5 DCBDRO Cc1noc(C)c1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363255 760101220 /nfs/dbraw/zinc/10/12/20/760101220.db2.gz KBCFPODESRMNCG-HKUMRIAESA-N 1 0 322.365 0.941 20 5 DCBDRO COc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001086363265 760101500 /nfs/dbraw/zinc/10/15/00/760101500.db2.gz KMEHPXVJALWGHI-CNVPUSNMSA-N 1 0 324.337 0.333 20 5 DCBDRO CC[NH+](CC)CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001100121146 760375152 /nfs/dbraw/zinc/37/51/52/760375152.db2.gz IHPQMPJBVUMGCS-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO NC(=O)c1ccnc(-n2cnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001168841453 760475134 /nfs/dbraw/zinc/47/51/34/760475134.db2.gz FFBAEHFHEYJNRU-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1ccco1 ZINC001168908900 760507548 /nfs/dbraw/zinc/50/75/48/760507548.db2.gz JTSWBJHFYGKKLU-UHFFFAOYSA-N 1 0 321.337 0.760 20 5 DCBDRO CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2O1 ZINC001168975486 760536536 /nfs/dbraw/zinc/53/65/36/760536536.db2.gz VYZCVLDBXBAHQC-DIURFFJMSA-N 1 0 300.355 0.675 20 5 DCBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 ZINC001169918547 760932277 /nfs/dbraw/zinc/93/22/77/760932277.db2.gz WDOGYXZVSFTBGU-ZDUSSCGKSA-N 1 0 324.385 0.074 20 5 DCBDRO [NH3+]CCOCCOCCNc1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001170505757 763390524 /nfs/dbraw/zinc/39/05/24/763390524.db2.gz RDMFNYNYFXHWEF-UHFFFAOYSA-N 1 0 309.326 0.875 20 5 DCBDRO Cc1nc(N(C)CCNC(=O)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001100299377 763471374 /nfs/dbraw/zinc/47/13/74/763471374.db2.gz FQOPTEMBJPJMSH-UHFFFAOYSA-N 1 0 309.370 0.802 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnsn1 ZINC001124153974 768152789 /nfs/dbraw/zinc/15/27/89/768152789.db2.gz AKXQUEMUFYJZDB-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001134143475 765381455 /nfs/dbraw/zinc/38/14/55/765381455.db2.gz AEFKBDHJGYZJTA-ZDUSSCGKSA-N 1 0 320.349 0.535 20 5 DCBDRO CN(C)C(=O)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134939517 765737970 /nfs/dbraw/zinc/73/79/70/765737970.db2.gz ZXGITDRWMWBRGT-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@@H]2C[NH2+]C[C@H]2CO)nc1Cl ZINC001159672296 766198739 /nfs/dbraw/zinc/19/87/39/766198739.db2.gz ODMMKYWUJOGSCY-NKWVEPMBSA-N 1 0 322.699 0.862 20 5 DCBDRO Cc1c(C[NH3+])c(NC(=O)CCn2cc([N+](=O)[O-])cn2)nn1C ZINC001118507230 766337854 /nfs/dbraw/zinc/33/78/54/766337854.db2.gz TXQKUACKXPOTII-UHFFFAOYSA-N 1 0 307.314 0.321 20 5 DCBDRO CN1CC[NH+](CC2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC001118707947 766411831 /nfs/dbraw/zinc/41/18/31/766411831.db2.gz NMSNMPUAHVIMEB-UHFFFAOYSA-N 1 0 307.354 0.242 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC001118932509 766475833 /nfs/dbraw/zinc/47/58/33/766475833.db2.gz OTPLKRNUPBRESF-LLVKDONJSA-N 1 0 306.322 0.031 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC001121152522 767431880 /nfs/dbraw/zinc/43/18/80/767431880.db2.gz GUJCUUWWJOIYLK-FRRDWIJNSA-N 1 0 321.381 0.980 20 5 DCBDRO NC(=O)[C@@H](C1CC1)[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC1 ZINC001175503311 769914738 /nfs/dbraw/zinc/91/47/38/769914738.db2.gz KSURLVHBQVLOKB-CYBMUJFWSA-N 1 0 307.354 0.767 20 5 DCBDRO CC(=O)N(C)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001154819762 770306141 /nfs/dbraw/zinc/30/61/41/770306141.db2.gz QREBBHROXWDHSU-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc([N+](=O)[O-])c(OC)n1 ZINC001155076611 770386746 /nfs/dbraw/zinc/38/67/46/770386746.db2.gz ICQPTCXYEQEJSS-UHFFFAOYSA-N 1 0 322.281 0.215 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H]2COCCC23C[NH2+]C3)n1 ZINC001155470130 770512217 /nfs/dbraw/zinc/51/22/17/770512217.db2.gz RRAKAMSUFMGXAF-SECBINFHSA-N 1 0 309.326 0.492 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155502771 770527940 /nfs/dbraw/zinc/52/79/40/770527940.db2.gz LZZMQLKKNZLZDM-RAIGVLPGSA-N 1 0 301.306 0.937 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)N1 ZINC001155573189 770550024 /nfs/dbraw/zinc/55/00/24/770550024.db2.gz AJKLDQABVBEAAY-RNCFNFMXSA-N 1 0 302.294 0.461 20 5 DCBDRO O=[N+]([O-])c1cnc(N(c2ncccn2)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC001155869817 770644513 /nfs/dbraw/zinc/64/45/13/770644513.db2.gz LOEIEWBLVLXOHV-UHFFFAOYSA-N 1 0 317.265 0.798 20 5 DCBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179007988 770927296 /nfs/dbraw/zinc/92/72/96/770927296.db2.gz GFSZVKIGPAMOOX-NSHDSACASA-N 1 0 323.324 0.866 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ccc(C[NH3+])cc2=N)n1 ZINC001156856010 770946542 /nfs/dbraw/zinc/94/65/42/770946542.db2.gz MJJDOAKALPVIMC-UHFFFAOYSA-N 1 0 303.278 0.505 20 5 DCBDRO CCNC(=O)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001156857650 770946992 /nfs/dbraw/zinc/94/69/92/770946992.db2.gz ZMWZHQUOAAXGIH-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2nnc(CC[NH3+])n2)n1 ZINC001156985851 770991061 /nfs/dbraw/zinc/99/10/61/770991061.db2.gz NFRXTXORJCQPQE-UHFFFAOYSA-N 1 0 316.734 0.237 20 5 DCBDRO CNC(=O)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001156996017 770995856 /nfs/dbraw/zinc/99/58/56/770995856.db2.gz LBAAFVIGGDTVCD-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO COc1c(O)ccc(CNC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001180594550 771146405 /nfs/dbraw/zinc/14/64/05/771146405.db2.gz SVNPNLHYVIZIKJ-CQSZACIVSA-N 1 0 311.338 0.465 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001181441982 771292192 /nfs/dbraw/zinc/29/21/92/771292192.db2.gz JFIAISCYVYOJRX-JMJZKYOTSA-N 1 0 306.322 0.765 20 5 DCBDRO CCOC(=O)CN(CCC[NH3+])c1ccc([N+](=O)[O-])c(OC)n1 ZINC001157544858 771630051 /nfs/dbraw/zinc/63/00/51/771630051.db2.gz TXMSYRVIMCNNEI-UHFFFAOYSA-N 1 0 312.326 0.717 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccc(Cl)nc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760333 771664449 /nfs/dbraw/zinc/66/44/49/771664449.db2.gz CGNJUIORGXDNJT-GHMZBOCLSA-N 1 0 312.757 0.996 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001158204661 771741083 /nfs/dbraw/zinc/74/10/83/771741083.db2.gz SUBPCMVYTZKXEZ-SECBINFHSA-N 1 0 314.305 0.586 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001158634623 771796940 /nfs/dbraw/zinc/79/69/40/771796940.db2.gz GJGHAFAUYSEQDX-RISCZKNCSA-N 1 0 321.337 0.425 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001158634157 771797032 /nfs/dbraw/zinc/79/70/32/771797032.db2.gz DCQHWAKDMAZNMN-QMTHXVAHSA-N 1 0 321.337 0.303 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001158765682 771819348 /nfs/dbraw/zinc/81/93/48/771819348.db2.gz IEWWIISJSVNTDV-LLVKDONJSA-N 1 0 322.321 0.330 20 5 DCBDRO O=C(Cn1nccn1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001158922173 771834786 /nfs/dbraw/zinc/83/47/86/771834786.db2.gz UOKWWNSJSOUBOA-UHFFFAOYSA-N 1 0 324.366 0.544 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])n1 ZINC001159241152 771882082 /nfs/dbraw/zinc/88/20/82/771882082.db2.gz WXNZKSUMDYLGAH-NQBHXWOUSA-N 1 0 311.342 0.830 20 5 DCBDRO CN(C)/C=C/c1cc(NCCN(C)CC[NH3+])ncc1[N+](=O)[O-] ZINC001159438661 771910205 /nfs/dbraw/zinc/91/02/05/771910205.db2.gz ZUPLWMBLCBOBSG-QPJJXVBHSA-N 1 0 308.386 0.825 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001159497583 771919698 /nfs/dbraw/zinc/91/96/98/771919698.db2.gz IYKXGENFYZQMTQ-SKDRFNHKSA-N 1 0 324.337 0.955 20 5 DCBDRO C[C@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@H]1C[NH2+]CCO1 ZINC001159500211 771920398 /nfs/dbraw/zinc/92/03/98/771920398.db2.gz QXRVEFPBOIQKRQ-IONNQARKSA-N 1 0 302.718 0.670 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001159503347 771920902 /nfs/dbraw/zinc/92/09/02/771920902.db2.gz WMKBYSMYJARKQL-KWQFWETISA-N 1 0 310.310 0.565 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159502455 771921076 /nfs/dbraw/zinc/92/10/76/771921076.db2.gz NBKVQYAXBKNULU-GXSJLCMTSA-N 1 0 324.337 0.955 20 5 DCBDRO CN(C)/C=C/c1cc(N[C@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159679027 771943777 /nfs/dbraw/zinc/94/37/77/771943777.db2.gz AUSGIUXHUSLPQU-QSKOYVBTSA-N 1 0 307.354 0.514 20 5 DCBDRO CSc1nc(Cl)nc(N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001159679068 771943783 /nfs/dbraw/zinc/94/37/83/771943783.db2.gz SEVQETRBELYMFA-WDSKDSINSA-N 1 0 319.774 0.752 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001159885487 771973029 /nfs/dbraw/zinc/97/30/29/771973029.db2.gz OMIOCHFFRAKDCB-INTQDDNPSA-N 1 0 305.338 0.642 20 5 DCBDRO COc1nc(N[C@]2(C[NH3+])CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160508921 772052772 /nfs/dbraw/zinc/05/27/72/772052772.db2.gz KUTHPXJPSJKLIE-CYBMUJFWSA-N 1 0 308.342 0.228 20 5 DCBDRO COc1ncnc(NC2CCN([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001161465005 772228255 /nfs/dbraw/zinc/22/82/55/772228255.db2.gz WGYLLCSHFRJEAI-NSHDSACASA-N 1 0 322.369 0.632 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CCC([NH3+])CC2)n1 ZINC001161873106 772293585 /nfs/dbraw/zinc/29/35/85/772293585.db2.gz WOTBYDHUCARLRL-UHFFFAOYSA-N 1 0 323.353 0.611 20 5 DCBDRO O=C1C[C@@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CCN1 ZINC001162332909 772362771 /nfs/dbraw/zinc/36/27/71/772362771.db2.gz OFQDNJOASVHLRD-QMMMGPOBSA-N 1 0 306.326 0.010 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC001162351459 772365440 /nfs/dbraw/zinc/36/54/40/772365440.db2.gz OUJBVXXIWZUPSE-SNVBAGLBSA-N 1 0 310.358 0.328 20 5 DCBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])c2nccn2c1)C(C)(C)[NH3+] ZINC001162947439 772434693 /nfs/dbraw/zinc/43/46/93/772434693.db2.gz HSDVEIDLVRODJH-SNVBAGLBSA-N 1 0 307.310 0.933 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163083223 772457541 /nfs/dbraw/zinc/45/75/41/772457541.db2.gz YQLWVQDVWQBIPD-VIFPVBQESA-N 1 0 321.337 0.269 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342367 772509195 /nfs/dbraw/zinc/50/91/95/772509195.db2.gz JVIYNUFTPGHYEL-WXHSDQCUSA-N 1 0 307.306 0.923 20 5 DCBDRO Cc1nnc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC001164494823 772668099 /nfs/dbraw/zinc/66/80/99/772668099.db2.gz UUMIZSXEWURZOW-GHMZBOCLSA-N 1 0 322.369 0.154 20 5 DCBDRO [NH3+][C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]1O ZINC001165151690 772701451 /nfs/dbraw/zinc/70/14/51/772701451.db2.gz XDYFXIKOLZCAPG-SFYZADRCSA-N 1 0 308.672 0.696 20 5 DCBDRO COc1nc(N2CC[C@@]3(C2)CCC[NH2+]C3)nc(OC)c1[N+](=O)[O-] ZINC001165240797 772709909 /nfs/dbraw/zinc/70/99/09/772709909.db2.gz UVJHRTZTQRCJNH-AWEZNQCLSA-N 1 0 323.353 0.982 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1 ZINC001165255616 772712060 /nfs/dbraw/zinc/71/20/60/772712060.db2.gz CPGOSKYXNUUSNB-UHFFFAOYSA-N 1 0 319.365 0.665 20 5 DCBDRO O=[N+]([O-])c1cccc2ncnc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c21 ZINC001165284227 772717242 /nfs/dbraw/zinc/71/72/42/772717242.db2.gz QUDJVQPXZCLZHN-BMIGLBTASA-N 1 0 315.333 0.556 20 5 DCBDRO Nc1cc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165341442 772724748 /nfs/dbraw/zinc/72/47/48/772724748.db2.gz LASPCDPOTWAYAZ-CQSZACIVSA-N 1 0 323.353 0.157 20 5 DCBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncc(F)cc1[N+](=O)[O-] ZINC001165404979 772733566 /nfs/dbraw/zinc/73/35/66/772733566.db2.gz HKZSHKNXXSALAN-KPXOXKRLSA-N 1 0 324.312 0.859 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001165437499 772737080 /nfs/dbraw/zinc/73/70/80/772737080.db2.gz SNINCPLXBFSLAJ-GFCCVEGCSA-N 1 0 317.305 0.489 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(-n2c(=N)sc3c2CC[NH2+]C3)n1 ZINC001166860290 772872038 /nfs/dbraw/zinc/87/20/38/772872038.db2.gz KPCUOIJRBQRDKT-UHFFFAOYSA-N 1 0 322.350 0.679 20 5 DCBDRO COc1ccc(C[NH2+]CCCc2nnnn2C)cc1[N+](=O)[O-] ZINC001204001634 772932867 /nfs/dbraw/zinc/93/28/67/772932867.db2.gz AQZQJLWFXAWJDW-UHFFFAOYSA-N 1 0 306.326 0.849 20 5 DCBDRO C[C@H]1C[N@H+](CCO)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001195094138 773324770 /nfs/dbraw/zinc/32/47/70/773324770.db2.gz MXHPGRZPMIDYBN-SWLSCSKDSA-N 1 0 309.366 0.627 20 5 DCBDRO C[C@@H]1C[N@H+](CCO)CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001195094137 773325266 /nfs/dbraw/zinc/32/52/66/773325266.db2.gz MXHPGRZPMIDYBN-IUODEOHRSA-N 1 0 309.366 0.627 20 5 DCBDRO COC(=O)[C@@](C)(O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196908447 773666571 /nfs/dbraw/zinc/66/65/71/773666571.db2.gz QJKHRWIODBAOMM-KGLIPLIRSA-N 1 0 312.322 0.316 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001218859001 774316667 /nfs/dbraw/zinc/31/66/67/774316667.db2.gz HSOZBLWRSZXREW-XXFAHNHDSA-N 1 0 323.356 0.884 20 5 DCBDRO COC(=O)[C@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001223069393 775460433 /nfs/dbraw/zinc/46/04/33/775460433.db2.gz NMYLAKIZGZFQQL-UKRRQHHQSA-N 1 0 310.370 0.901 20 5 DCBDRO NC(=O)C(=O)NCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224293341 775554138 /nfs/dbraw/zinc/55/41/38/775554138.db2.gz JJRDGGJPUSUUTC-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO CO[C@@H]1CC[N@H+](CCOc2ncc([N+](=O)[O-])c3nc[nH]c32)C1 ZINC001227691878 775997028 /nfs/dbraw/zinc/99/70/28/775997028.db2.gz RMPKXXHTIVGTSA-SECBINFHSA-N 1 0 307.310 0.966 20 5 DCBDRO COC(=O)c1ccc(O)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228191524 776056280 /nfs/dbraw/zinc/05/62/80/776056280.db2.gz XZCOZCRFAQDKPC-LLVKDONJSA-O 1 0 312.342 0.541 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=S)nc2[nH]ccc21 ZINC001228529838 776094013 /nfs/dbraw/zinc/09/40/13/776094013.db2.gz CKCICMMKRVHEGV-MRVPVSSYSA-O 1 0 311.387 0.609 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)[nH]c2cccnc21 ZINC001229501966 776196302 /nfs/dbraw/zinc/19/63/02/776196302.db2.gz NBZYQGVRVJOYOU-SNVBAGLBSA-O 1 0 306.342 0.698 20 5 DCBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(C)c1 ZINC001317687362 945166327 /nfs/dbraw/zinc/16/63/27/945166327.db2.gz YALDQOMBCRNGEM-ZIAGYGMSSA-N 1 0 323.397 0.802 20 5 DCBDRO Cn1cncc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001481896578 940175222 /nfs/dbraw/zinc/17/52/22/940175222.db2.gz VMVKIQDJECADEI-CHWSQXEVSA-N 1 0 321.381 0.604 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001246143874 945347686 /nfs/dbraw/zinc/34/76/86/945347686.db2.gz JVPKZLCEYSLOQN-DGFSRKRXSA-N 1 0 304.350 0.694 20 5 DCBDRO CCOC(=O)c1nc(Cl)nc(NCC[NH2+]C)c1[N+](=O)[O-] ZINC001156891116 944155539 /nfs/dbraw/zinc/15/55/39/944155539.db2.gz OXWZRLOVBYVBCZ-UHFFFAOYSA-N 1 0 303.706 0.846 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246857628 945506569 /nfs/dbraw/zinc/50/65/69/945506569.db2.gz RIAQEJBSIGOONR-KGLIPLIRSA-N 1 0 305.334 0.509 20 5 DCBDRO COC(=O)[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1[NH3+] ZINC001246933268 945522883 /nfs/dbraw/zinc/52/28/83/945522883.db2.gz RRENXBPILXTCBB-MCIONIFRSA-N 1 0 305.334 0.494 20 5 DCBDRO CCN(CC[NH2+]CCc1ccns1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001320735270 946000105 /nfs/dbraw/zinc/00/01/05/946000105.db2.gz WEVYUCUEHNRPST-VXGBXAGGSA-N 1 0 312.395 0.789 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001322844096 946832979 /nfs/dbraw/zinc/83/29/79/946832979.db2.gz FAEILEDREIZDSI-LBPRGKRZSA-N 1 0 320.349 0.453 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001261251662 947231352 /nfs/dbraw/zinc/23/13/52/947231352.db2.gz GRSGBWGNIHMCSL-UHFFFAOYSA-N 1 0 318.377 0.975 20 5 DCBDRO C[NH2+]C1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC001261480832 947313122 /nfs/dbraw/zinc/31/31/22/947313122.db2.gz BKQVCQGIGYJJCP-UHFFFAOYSA-N 1 0 300.340 0.362 20 5 DCBDRO Cc1nn(C)c(C(=O)Nc2ccnn2CC[NH+](C)C)c1[N+](=O)[O-] ZINC001324616715 947481594 /nfs/dbraw/zinc/48/15/94/947481594.db2.gz LOAFPECTQWWJOR-UHFFFAOYSA-N 1 0 321.341 0.647 20 5 DCBDRO Cc1n[nH]c(C(=O)NCCCC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC001325124153 947667043 /nfs/dbraw/zinc/66/70/43/947667043.db2.gz XHRSVENHYIUMEE-UHFFFAOYSA-N 1 0 324.385 0.384 20 5 DCBDRO Cc1nn(CC(=O)N2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc12 ZINC001326331641 948132144 /nfs/dbraw/zinc/13/21/44/948132144.db2.gz ZHQOUCRREYBLKY-UHFFFAOYSA-N 1 0 303.322 0.685 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001328731982 949057913 /nfs/dbraw/zinc/05/79/13/949057913.db2.gz GTUCHEKKDYBGEI-QWRGUYRKSA-N 1 0 322.365 0.886 20 5 DCBDRO C[C@H]1CC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC001330019313 950061895 /nfs/dbraw/zinc/06/18/95/950061895.db2.gz JANDMTPQGIBRRG-JQWIXIFHSA-N 1 0 320.349 0.468 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001330308638 950266215 /nfs/dbraw/zinc/26/62/15/950266215.db2.gz ZXGCPNDCISFTBV-RYUDHWBXSA-N 1 0 320.349 0.452 20 5 DCBDRO C[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCC2 ZINC001331962857 951411240 /nfs/dbraw/zinc/41/12/40/951411240.db2.gz NTABIHJOSSFRFE-MWLCHTKSSA-N 1 0 321.341 0.041 20 5 DCBDRO CC(C)=CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001274515850 951676222 /nfs/dbraw/zinc/67/62/22/951676222.db2.gz LRJFKBVGAWELDD-CHWSQXEVSA-N 1 0 311.382 0.561 20 5 DCBDRO CON1CC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC001333038790 951890942 /nfs/dbraw/zinc/89/09/42/951890942.db2.gz VUVKLXBMNDKOBP-NSHDSACASA-N 1 0 309.326 0.591 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001336700166 952754606 /nfs/dbraw/zinc/75/46/06/952754606.db2.gz YGVWINDVPQMYIT-UHFFFAOYSA-N 1 0 324.385 0.086 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001336964150 952789323 /nfs/dbraw/zinc/78/93/23/952789323.db2.gz FJCKDYAVCQMNNR-JTQLQIEISA-N 1 0 308.338 0.107 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001337114191 952813444 /nfs/dbraw/zinc/81/34/44/952813444.db2.gz VVVLOLJAIWKPGX-CQSZACIVSA-N 1 0 307.354 0.784 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC001340162308 953149908 /nfs/dbraw/zinc/14/99/08/953149908.db2.gz FKGMECWMEOEWOT-ZDUSSCGKSA-N 1 0 321.381 0.948 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341219976 953217810 /nfs/dbraw/zinc/21/78/10/953217810.db2.gz PHQBKOBLOHJTPJ-HNNXBMFYSA-N 1 0 320.349 0.501 20 5 DCBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)[C@@H]1C[NH2+]CCN1C)CC2 ZINC001341808662 953251638 /nfs/dbraw/zinc/25/16/38/953251638.db2.gz DXXOHTZGHOXGGU-AWEZNQCLSA-N 1 0 304.350 0.696 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC001342255921 953279556 /nfs/dbraw/zinc/27/95/56/953279556.db2.gz KNMUMROAVKCMIM-SECBINFHSA-N 1 0 313.379 0.969 20 5 DCBDRO CCOC(=O)[C@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001346016781 953787068 /nfs/dbraw/zinc/78/70/68/953787068.db2.gz FWZSRVFOGLFMDO-CQSZACIVSA-N 1 0 323.349 0.811 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001350189421 955014698 /nfs/dbraw/zinc/01/46/98/955014698.db2.gz ZBNNUPMYOXEMNV-HNNXBMFYSA-N 1 0 323.349 0.742 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001352549743 955668355 /nfs/dbraw/zinc/66/83/55/955668355.db2.gz OHAKRVRCRMYOTP-CQSZACIVSA-N 1 0 311.313 0.873 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001292116287 956928495 /nfs/dbraw/zinc/92/84/95/956928495.db2.gz MGWFSKGTCPYWKA-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO Cc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1[N+](=O)[O-] ZINC001449805344 1014690545 /nfs/dbraw/zinc/69/05/45/1014690545.db2.gz YQZWSVWQORTGRV-JTQLQIEISA-N 1 0 311.342 0.203 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+](C2CCC2)CC1 ZINC001468103380 1016222907 /nfs/dbraw/zinc/22/29/07/1016222907.db2.gz BDGBUSJZRULIGU-UHFFFAOYSA-N 1 0 307.354 0.924 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001455058415 1009467438 /nfs/dbraw/zinc/46/74/38/1009467438.db2.gz VGFQHXGGKXBJOK-AWEZNQCLSA-N 1 0 323.353 0.170 20 5 DCBDRO C[NH+](C)CC[C@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001455640059 1009878530 /nfs/dbraw/zinc/87/85/30/1009878530.db2.gz MHZUHTNAJAPOJS-JTQLQIEISA-N 1 0 307.354 0.986 20 5 DCBDRO Nc1ncc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC001443765588 1010640927 /nfs/dbraw/zinc/64/09/27/1010640927.db2.gz DQZOPTVZXQWAOG-LLVKDONJSA-N 1 0 305.338 0.786 20 5 DCBDRO CCO[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])nc1C)C[NH+](C)C ZINC001534451565 1011585238 /nfs/dbraw/zinc/58/52/38/1011585238.db2.gz ZGEXOVYTGPQJNP-NSHDSACASA-N 1 0 313.358 0.183 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(O)(C[NH+](C)C)CC2)n1 ZINC001557749472 1012299690 /nfs/dbraw/zinc/29/96/90/1012299690.db2.gz QNXXVOMETPMSEY-UHFFFAOYSA-N 1 0 322.365 0.827 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558548758 1012365338 /nfs/dbraw/zinc/36/53/38/1012365338.db2.gz GTLSLRQPDJZZBE-NSHDSACASA-N 1 0 321.333 0.563 20 5 DCBDRO Cc1c(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cccc1[N+](=O)[O-] ZINC001461512928 1013025722 /nfs/dbraw/zinc/02/57/22/1013025722.db2.gz DXQZBQFQQZLZQZ-CYBMUJFWSA-N 1 0 314.363 0.542 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+](C)CCO ZINC001476452280 1017196961 /nfs/dbraw/zinc/19/69/61/1017196961.db2.gz DWLWQYWSUMWQJQ-UHFFFAOYSA-N 1 0 312.326 0.649 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000286553227 219051673 /nfs/dbraw/zinc/05/16/73/219051673.db2.gz CUHKRPUDBCYADR-VIFPVBQESA-N 1 0 317.367 0.832 20 5 DCBDRO CC[C@]1(CO)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187519005 529425018 /nfs/dbraw/zinc/42/50/18/529425018.db2.gz PYIFDUICIIXYCZ-KBPBESRZSA-N 1 0 312.370 0.637 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000125670720 290935635 /nfs/dbraw/zinc/93/56/35/290935635.db2.gz KGSKUWMXNIMHRY-JTQLQIEISA-N 1 0 316.321 0.609 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000172587295 198118965 /nfs/dbraw/zinc/11/89/65/198118965.db2.gz BNKPODADKJWFDU-GFCCVEGCSA-N 1 0 307.354 0.736 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173593947 198231208 /nfs/dbraw/zinc/23/12/08/198231208.db2.gz BCIGTTWJLMGRIQ-ZDUSSCGKSA-N 1 0 320.393 0.889 20 5 DCBDRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180418049 199156825 /nfs/dbraw/zinc/15/68/25/199156825.db2.gz HOXNDDARJPZFOY-NXEZZACHSA-N 1 0 309.322 0.923 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000133212985 283542483 /nfs/dbraw/zinc/54/24/83/283542483.db2.gz KNIHGSWIVCRXHD-SNVBAGLBSA-N 1 0 301.368 0.870 20 5 DCBDRO CC[N@H+](C)C[C@@H](O)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000310325617 291251812 /nfs/dbraw/zinc/25/18/12/291251812.db2.gz AKNRWUOREXBQQT-SSDOTTSWSA-N 1 0 307.148 0.866 20 5 DCBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000566091299 291268190 /nfs/dbraw/zinc/26/81/90/291268190.db2.gz TZHJWDYTZCJJJR-UONOGXRCSA-N 1 0 323.349 0.857 20 5 DCBDRO Cn1cnc(CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000566110609 291270752 /nfs/dbraw/zinc/27/07/52/291270752.db2.gz NHALFCGYNBFKCU-GFCCVEGCSA-N 1 0 321.337 0.295 20 5 DCBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566119785 291271717 /nfs/dbraw/zinc/27/17/17/291271717.db2.gz DBEJRHMGNKZZPE-GXFFZTMASA-N 1 0 308.342 0.107 20 5 DCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)CC[N@@H+]1CC(C)(C)O ZINC000275445896 212337956 /nfs/dbraw/zinc/33/79/56/212337956.db2.gz GGNXMPCMRKFDGR-SECBINFHSA-N 1 0 310.358 0.248 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CC[NH2+]C1 ZINC000420436502 240028918 /nfs/dbraw/zinc/02/89/18/240028918.db2.gz OEXURIUTFXWLGO-LLVKDONJSA-N 1 0 313.379 0.666 20 5 DCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000420823606 240064779 /nfs/dbraw/zinc/06/47/79/240064779.db2.gz VMSLMOKHFDJZRG-LLVKDONJSA-N 1 0 310.358 0.527 20 5 DCBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNCCO1 ZINC000423527499 240201296 /nfs/dbraw/zinc/20/12/96/240201296.db2.gz RMTKBEPNNRLVFH-RISCZKNCSA-N 1 0 322.365 0.890 20 5 DCBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000567180240 291341697 /nfs/dbraw/zinc/34/16/97/291341697.db2.gz CZOVDIYMHZQWMI-WZRBSPASSA-N 1 0 304.350 0.900 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000442516239 240543242 /nfs/dbraw/zinc/54/32/42/240543242.db2.gz KAPZYMFNZPMQPR-LLVKDONJSA-N 1 0 308.342 0.177 20 5 DCBDRO Cn1cc([C@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000275205538 212194468 /nfs/dbraw/zinc/19/44/68/212194468.db2.gz REYFYSZIYOMEHC-KBPBESRZSA-N 1 0 306.322 0.685 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000264801813 204167173 /nfs/dbraw/zinc/16/71/73/204167173.db2.gz WMXSVSDAJHMCGQ-NPQIQWPPSA-N 1 0 318.377 0.970 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266105522 205101019 /nfs/dbraw/zinc/10/10/19/205101019.db2.gz LPWNWHAJHZTGDP-ZDUSSCGKSA-N 1 0 307.350 0.974 20 5 DCBDRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000288488225 220174182 /nfs/dbraw/zinc/17/41/82/220174182.db2.gz CRTZRMUPNHAGLR-NSHDSACASA-N 1 0 307.306 0.764 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272890369 210281206 /nfs/dbraw/zinc/28/12/06/210281206.db2.gz JIOGDDXVADPEAD-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000346234951 254025201 /nfs/dbraw/zinc/02/52/01/254025201.db2.gz WWSVWTQURINJJQ-JTQLQIEISA-N 1 0 323.349 0.975 20 5 DCBDRO C[C@@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000351536014 254344076 /nfs/dbraw/zinc/34/40/76/254344076.db2.gz GDALWCGADIGCNA-MFKMUULPSA-N 1 0 320.349 0.640 20 5 DCBDRO COC(=O)CCNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296670141 533434240 /nfs/dbraw/zinc/43/42/40/533434240.db2.gz GTLJMGGBEYABNL-JTQLQIEISA-N 1 0 309.322 0.925 20 5 DCBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000275469627 130324323 /nfs/dbraw/zinc/32/43/23/130324323.db2.gz RGKUYJZPNGIUGF-SNVBAGLBSA-N 1 0 310.354 0.840 20 5 DCBDRO C[C@H](O)C[N@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361023 131377669 /nfs/dbraw/zinc/37/76/69/131377669.db2.gz AHCWOJIOIVIEDD-RYUDHWBXSA-N 1 0 314.338 0.010 20 5 DCBDRO C[NH+](C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccsc1 ZINC000048249145 395811750 /nfs/dbraw/zinc/81/17/50/395811750.db2.gz TVIODHRRBHVMCW-SNVBAGLBSA-N 1 0 324.366 0.667 20 5 DCBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000115438535 395840023 /nfs/dbraw/zinc/84/00/23/395840023.db2.gz SNKSGJUWKXMTSV-LBPRGKRZSA-N 1 0 322.365 0.557 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000271191076 395845847 /nfs/dbraw/zinc/84/58/47/395845847.db2.gz SEFZWLUNPZXLHF-JTQLQIEISA-N 1 0 308.342 0.357 20 5 DCBDRO CCOC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000233731118 395887284 /nfs/dbraw/zinc/88/72/84/395887284.db2.gz IGIVZINMXKYJJV-QWHCGFSZSA-N 1 0 300.359 0.803 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272503941 395896096 /nfs/dbraw/zinc/89/60/96/395896096.db2.gz OBISSYSFQSMJDC-VXGBXAGGSA-N 1 0 307.354 0.652 20 5 DCBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000054266448 395896767 /nfs/dbraw/zinc/89/67/67/395896767.db2.gz MDJJPJYYFNALOY-UHFFFAOYSA-N 1 0 317.367 0.881 20 5 DCBDRO NC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273169626 395904838 /nfs/dbraw/zinc/90/48/38/395904838.db2.gz OQWMEJNEAORDID-WDEREUQCSA-N 1 0 324.337 0.077 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000119171090 395868147 /nfs/dbraw/zinc/86/81/47/395868147.db2.gz DUXNHRPDSBDKAJ-UHFFFAOYSA-N 1 0 303.340 0.443 20 5 DCBDRO C[N@H+](CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C1CC1 ZINC000138706035 395953048 /nfs/dbraw/zinc/95/30/48/395953048.db2.gz ZIIMQCCEBYPPFW-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000247451006 395974269 /nfs/dbraw/zinc/97/42/69/395974269.db2.gz QFTLVHCJHFJSPI-ZYHUDNBSSA-N 1 0 309.370 0.898 20 5 DCBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151269535 395982910 /nfs/dbraw/zinc/98/29/10/395982910.db2.gz GJALCPIAHBRUEY-LBPRGKRZSA-N 1 0 324.385 0.965 20 5 DCBDRO C[C@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)[NH+](C)C ZINC000277134214 396051735 /nfs/dbraw/zinc/05/17/35/396051735.db2.gz PRPGYILCMVOLSD-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO CC(C)[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000068776687 396063409 /nfs/dbraw/zinc/06/34/09/396063409.db2.gz VNQCHDKSVCXSCU-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000261811177 396068593 /nfs/dbraw/zinc/06/85/93/396068593.db2.gz NJALIGRSJOOFTA-UHFFFAOYSA-N 1 0 307.354 0.852 20 5 DCBDRO O=C(NCC[NH+]1CCSCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277609982 396076909 /nfs/dbraw/zinc/07/69/09/396076909.db2.gz APADANMASXVMAU-UHFFFAOYSA-N 1 0 312.351 0.474 20 5 DCBDRO NC(=O)c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000262484726 396145952 /nfs/dbraw/zinc/14/59/52/396145952.db2.gz KHYBAQOKLYAEJG-UHTWSYAYSA-N 1 0 304.350 0.863 20 5 DCBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000262494967 396147041 /nfs/dbraw/zinc/14/70/41/396147041.db2.gz WCVWKIGJGNRRKC-SECBINFHSA-N 1 0 317.367 0.880 20 5 DCBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000177777474 396183163 /nfs/dbraw/zinc/18/31/63/396183163.db2.gz KZOWTXNZHCKXAV-NEPJUHHUSA-N 1 0 307.354 0.877 20 5 DCBDRO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](C)CC1 ZINC000264185602 396260948 /nfs/dbraw/zinc/26/09/48/396260948.db2.gz MYHBLXJUXBJRHW-UHFFFAOYSA-N 1 0 308.338 0.309 20 5 DCBDRO [NH3+]C1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000269110220 396386333 /nfs/dbraw/zinc/38/63/33/396386333.db2.gz IOJFYGIEVNBPIT-UHFFFAOYSA-N 1 0 320.349 0.664 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269124424 396387386 /nfs/dbraw/zinc/38/73/86/396387386.db2.gz LJFPUOVAWLISQI-GFCCVEGCSA-N 1 0 320.349 0.535 20 5 DCBDRO C[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1CC(C)(C)O ZINC000189955055 396400767 /nfs/dbraw/zinc/40/07/67/396400767.db2.gz KYKBIGJJXDURSG-LBPRGKRZSA-N 1 0 311.386 0.568 20 5 DCBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000287636541 396413291 /nfs/dbraw/zinc/41/32/91/396413291.db2.gz ULPSQAIHCDSIAT-UHFFFAOYSA-N 1 0 310.358 0.074 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000192519719 396432601 /nfs/dbraw/zinc/43/26/01/396432601.db2.gz FHYLDGQKOQEXTG-TXEJJXNPSA-N 1 0 305.334 0.994 20 5 DCBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269677048 396435623 /nfs/dbraw/zinc/43/56/23/396435623.db2.gz HJDJNQSXUQSHPP-GFCCVEGCSA-N 1 0 322.365 0.747 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371452090 396467045 /nfs/dbraw/zinc/46/70/45/396467045.db2.gz QAVUVQDEEOZPRZ-NEPJUHHUSA-N 1 0 307.354 0.924 20 5 DCBDRO C[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C[NH+](C)C ZINC000291845158 396515227 /nfs/dbraw/zinc/51/52/27/396515227.db2.gz MAEGHOUNSDVBDB-SECBINFHSA-N 1 0 316.383 0.852 20 5 DCBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C1 ZINC000595103216 396548903 /nfs/dbraw/zinc/54/89/03/396548903.db2.gz XITZKJQFPCFSDN-SECBINFHSA-N 1 0 300.340 0.220 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000595115865 396550940 /nfs/dbraw/zinc/55/09/40/396550940.db2.gz MGFHEMSYGSLZPP-UHFFFAOYSA-N 1 0 317.367 0.961 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000581548880 396564600 /nfs/dbraw/zinc/56/46/00/396564600.db2.gz ZDXJHWILOUAYKD-DGCLKSJQSA-N 1 0 324.337 0.186 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595222546 396565963 /nfs/dbraw/zinc/56/59/63/396565963.db2.gz MPPQQABFEOBWPF-GFCCVEGCSA-N 1 0 322.369 0.425 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N(C)CCC[NH3+])cccc1[N+](=O)[O-] ZINC000595281326 396578715 /nfs/dbraw/zinc/57/87/15/396578715.db2.gz HWWYSXLWXJLANB-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO C[C@@H]1[C@H](C)[NH2+]CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000581884304 396590762 /nfs/dbraw/zinc/59/07/62/396590762.db2.gz DMXLSVFPEDADDJ-DTWKUNHWSA-N 1 0 300.340 0.361 20 5 DCBDRO NS(=O)(=O)[C@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595424697 396606476 /nfs/dbraw/zinc/60/64/76/396606476.db2.gz XZXFBEAUPPYZJW-NSHDSACASA-N 1 0 317.342 0.987 20 5 DCBDRO CC[N@@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000595535964 396626764 /nfs/dbraw/zinc/62/67/64/396626764.db2.gz KOYVWXNRLVAFNE-TZMCWYRMSA-N 1 0 311.386 0.568 20 5 DCBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000586797793 396666300 /nfs/dbraw/zinc/66/63/00/396666300.db2.gz DEAAAVCQGVPYML-JTQLQIEISA-N 1 0 309.326 0.301 20 5 DCBDRO Nc1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862460 396695929 /nfs/dbraw/zinc/69/59/29/396695929.db2.gz BRFBKASRIDNOAI-QWRGUYRKSA-N 1 0 320.349 0.458 20 5 DCBDRO COC(=O)COc1ccc(CN(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000563130110 396706487 /nfs/dbraw/zinc/70/64/87/396706487.db2.gz RCFIPRSNPNQJNB-UHFFFAOYSA-N 1 0 311.338 0.927 20 5 DCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596104253 396717508 /nfs/dbraw/zinc/71/75/08/396717508.db2.gz IQPCRDGQQGGCPJ-JTQLQIEISA-N 1 0 323.353 0.695 20 5 DCBDRO CC[NH+](CC)[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304301412 396728813 /nfs/dbraw/zinc/72/88/13/396728813.db2.gz HYWRSDRPRPTDOL-GXTWGEPZSA-N 1 0 311.386 0.568 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000596210367 396733041 /nfs/dbraw/zinc/73/30/41/396733041.db2.gz HJAWIYUGRZFTNL-STQMWFEESA-N 1 0 308.338 0.411 20 5 DCBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000610970684 396796634 /nfs/dbraw/zinc/79/66/34/396796634.db2.gz YWPKGYMFKGINNQ-LBPRGKRZSA-N 1 0 322.365 0.747 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000590370984 396764363 /nfs/dbraw/zinc/76/43/63/396764363.db2.gz AYLXWLFVGBSORT-LLVKDONJSA-N 1 0 323.349 0.790 20 5 DCBDRO C[C@](CO)([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000322480701 396819569 /nfs/dbraw/zinc/81/95/69/396819569.db2.gz BQCKSFOBYXGLLO-LSDHHAIUSA-N 1 0 320.349 0.650 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320861587 396814072 /nfs/dbraw/zinc/81/40/72/396814072.db2.gz CHLYRSOHJZNJOG-QWHCGFSZSA-N 1 0 319.365 0.766 20 5 DCBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[N@H+]1CC[C@@H](O)C1 ZINC000600534401 396885094 /nfs/dbraw/zinc/88/50/94/396885094.db2.gz PEONDSUWZODERG-GFCCVEGCSA-N 1 0 311.313 0.459 20 5 DCBDRO O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN([C@H]2CCOC2)CC1 ZINC000611558533 396886397 /nfs/dbraw/zinc/88/63/97/396886397.db2.gz CREAYFSYAVKKKY-LBPRGKRZSA-N 1 0 321.333 0.847 20 5 DCBDRO O=C(CC[NH2+]C[C@H]1COCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000591727789 396992092 /nfs/dbraw/zinc/99/20/92/396992092.db2.gz MXCVPXMHRFQHCT-NSHDSACASA-N 1 0 309.322 0.928 20 5 DCBDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000572831123 397098808 /nfs/dbraw/zinc/09/88/08/397098808.db2.gz YXXXJPIMLISNNY-SNVBAGLBSA-N 1 0 314.367 0.705 20 5 DCBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000572871139 397105884 /nfs/dbraw/zinc/10/58/84/397105884.db2.gz ZQNZEPRQVVHZIM-STQMWFEESA-N 1 0 320.353 0.627 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592241753 397136287 /nfs/dbraw/zinc/13/62/87/397136287.db2.gz GWGSNZJHKXYLKO-GFCCVEGCSA-N 1 0 309.370 0.946 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000592312288 397150993 /nfs/dbraw/zinc/15/09/93/397150993.db2.gz QRHUHJNYAQNTFO-FZMZJTMJSA-N 1 0 322.365 0.971 20 5 DCBDRO [NH3+]C[C@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592367450 397161847 /nfs/dbraw/zinc/16/18/47/397161847.db2.gz VHMNPZABLFDMGK-GFCCVEGCSA-N 1 0 313.379 0.748 20 5 DCBDRO COC(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000592385137 397166791 /nfs/dbraw/zinc/16/67/91/397166791.db2.gz LKZKEZDKQPQYKA-ZETCQYMHSA-N 1 0 317.323 0.007 20 5 DCBDRO C[NH+](C)[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000572971880 397117799 /nfs/dbraw/zinc/11/77/99/397117799.db2.gz LOXKXZWCWLLZDM-KBPBESRZSA-N 1 0 322.365 0.530 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598660975 397269894 /nfs/dbraw/zinc/26/98/94/397269894.db2.gz AVUHURPZRAPDPY-SNVBAGLBSA-N 1 0 321.337 0.666 20 5 DCBDRO CC(C)(C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000598669353 397272201 /nfs/dbraw/zinc/27/22/01/397272201.db2.gz IBIMFGHSYPGBGT-YGRLFVJLSA-N 1 0 307.354 0.866 20 5 DCBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598913219 397306582 /nfs/dbraw/zinc/30/65/82/397306582.db2.gz FLZVTYBWQXHHST-MWLCHTKSSA-N 1 0 306.322 0.777 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598593219 397254342 /nfs/dbraw/zinc/25/43/42/397254342.db2.gz QMXMZZUZDHBXTI-LLVKDONJSA-N 1 0 324.385 0.974 20 5 DCBDRO Nc1nc(N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc(N)[nH+]1 ZINC000599084273 397332352 /nfs/dbraw/zinc/33/23/52/397332352.db2.gz QWMBJSLGTIXRRF-JTQLQIEISA-N 1 0 315.337 0.989 20 5 DCBDRO CCN(CC[NH3+])S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000599098144 397336003 /nfs/dbraw/zinc/33/60/03/397336003.db2.gz DYGNHBBVWYTOBI-UHFFFAOYSA-N 1 0 303.340 0.573 20 5 DCBDRO COC(=O)c1ccnc(NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000599175399 397353891 /nfs/dbraw/zinc/35/38/91/397353891.db2.gz ANASYDHNKCGUQG-SECBINFHSA-N 1 0 310.310 0.255 20 5 DCBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000602526232 397430382 /nfs/dbraw/zinc/43/03/82/397430382.db2.gz FJMMDGNFZLZVBE-LBPRGKRZSA-N 1 0 308.338 0.213 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000602527004 397430497 /nfs/dbraw/zinc/43/04/97/397430497.db2.gz HOYQJESCRPZOSQ-GFCCVEGCSA-N 1 0 309.370 0.946 20 5 DCBDRO O=C(c1ccn(-c2ccccc2[N+](=O)[O-])n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602587004 397444542 /nfs/dbraw/zinc/44/45/42/397444542.db2.gz CVEBDLSMXRPHIK-QWRGUYRKSA-N 1 0 313.317 0.967 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(N3CCOCC3)CC2)c1 ZINC000599472938 397451275 /nfs/dbraw/zinc/45/12/75/397451275.db2.gz RYFCGDRRKUVLSZ-UHFFFAOYSA-N 1 0 309.370 0.588 20 5 DCBDRO C[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C[NH+](C)C ZINC000578296536 397415178 /nfs/dbraw/zinc/41/51/78/397415178.db2.gz GIQPAHHDDRQEHB-SECBINFHSA-N 1 0 316.383 0.852 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000593989078 397489518 /nfs/dbraw/zinc/48/95/18/397489518.db2.gz HMDGVJGJYQXSHQ-KBPBESRZSA-N 1 0 323.349 0.488 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000602810621 397492208 /nfs/dbraw/zinc/49/22/08/397492208.db2.gz HFUREBDPJGOBEY-VXGBXAGGSA-N 1 0 311.386 0.487 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(CCO)CCCC2)c1 ZINC000579231822 397538464 /nfs/dbraw/zinc/53/84/64/397538464.db2.gz VOMZKLNULOXVGU-CYBMUJFWSA-N 1 0 312.370 0.685 20 5 DCBDRO C[C@H](O)C[NH+]1CCC(CN(C)c2c([N+](=O)[O-])ncn2C)CC1 ZINC000609257527 397764756 /nfs/dbraw/zinc/76/47/56/397764756.db2.gz ZWCLYOGBBIPGIW-NSHDSACASA-N 1 0 311.386 0.857 20 5 DCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000609269800 397768458 /nfs/dbraw/zinc/76/84/58/397768458.db2.gz WWEJFAUZPMUQEI-NSHDSACASA-N 1 0 311.342 0.018 20 5 DCBDRO C[C@H](CNS(=O)(=O)c1cccnc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000610262583 397810552 /nfs/dbraw/zinc/81/05/52/397810552.db2.gz KRLOEWIYFIJDFO-SECBINFHSA-N 1 0 314.367 0.751 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127087665 158270311 /nfs/dbraw/zinc/27/03/11/158270311.db2.gz CPFRHDFNNQLFNI-SNVBAGLBSA-N 1 0 301.306 0.872 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000165631843 158364805 /nfs/dbraw/zinc/36/48/05/158364805.db2.gz XYTRVRQDIFLMMY-SNVBAGLBSA-N 1 0 315.351 0.251 20 5 DCBDRO C[C@@H]([NH3+])CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000261715428 158732144 /nfs/dbraw/zinc/73/21/44/158732144.db2.gz DTHJLMUHTQRVIJ-LLVKDONJSA-N 1 0 320.349 0.617 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000318793686 159007096 /nfs/dbraw/zinc/00/70/96/159007096.db2.gz ZQTRCWHHAFDUPE-NXEZZACHSA-N 1 0 305.338 0.929 20 5 DCBDRO NC(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654737 159010576 /nfs/dbraw/zinc/01/05/76/159010576.db2.gz QDNRZFJAOSIGFM-NEPJUHHUSA-N 1 0 320.349 0.969 20 5 DCBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000330524283 159185903 /nfs/dbraw/zinc/18/59/03/159185903.db2.gz JUNBCZNWISJXFP-GFCCVEGCSA-N 1 0 322.365 0.557 20 5 DCBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000273024056 287133885 /nfs/dbraw/zinc/13/38/85/287133885.db2.gz LLAJVAMEPUNANQ-SNVBAGLBSA-N 1 0 316.321 0.515 20 5 DCBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362015504 287217204 /nfs/dbraw/zinc/21/72/04/287217204.db2.gz OHAXVGMUFVXXFS-TZMCWYRMSA-N 1 0 323.349 0.977 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419046005 287263686 /nfs/dbraw/zinc/26/36/86/287263686.db2.gz XBQXBLIEUADUJS-NSHDSACASA-N 1 0 320.349 0.074 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000420422029 287297466 /nfs/dbraw/zinc/29/74/66/287297466.db2.gz LWBPOQXIVJJLKN-ITGUQSILSA-N 1 0 311.363 0.275 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000268248059 415183978 /nfs/dbraw/zinc/18/39/78/415183978.db2.gz WKMVYUJICMHWPW-PELKAZGASA-N 1 0 306.322 0.908 20 5 DCBDRO NS(=O)(=O)c1ccc(N2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000044559372 415222817 /nfs/dbraw/zinc/22/28/17/415222817.db2.gz GOIFKZFGQHFVMS-SECBINFHSA-N 1 0 314.367 0.560 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+](CCO)CCCO ZINC000273391657 415324365 /nfs/dbraw/zinc/32/43/65/415324365.db2.gz VAOHLCDNMIYIAB-GFCCVEGCSA-N 1 0 314.338 0.011 20 5 DCBDRO CCn1cc(S(=O)(=O)NC2(C[NH3+])CCCC2)c([N+](=O)[O-])n1 ZINC000353214248 415475137 /nfs/dbraw/zinc/47/51/37/415475137.db2.gz FVJHGTFFPGRLBH-UHFFFAOYSA-N 1 0 317.371 0.361 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000353216271 415479873 /nfs/dbraw/zinc/47/98/73/415479873.db2.gz KHHPTLHBVIKIQF-IUCAKERBSA-N 1 0 317.371 0.169 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000289820446 415721301 /nfs/dbraw/zinc/72/13/01/415721301.db2.gz ATDIDEHLLZKVLZ-GFCCVEGCSA-N 1 0 307.354 0.639 20 5 DCBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(N)=O ZINC000343738590 415705891 /nfs/dbraw/zinc/70/58/91/415705891.db2.gz FEUITVSBXPINQS-UHFFFAOYSA-N 1 0 308.294 0.310 20 5 DCBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000120310354 415762476 /nfs/dbraw/zinc/76/24/76/415762476.db2.gz HQQNCCLMGLFMMT-SNVBAGLBSA-N 1 0 316.321 0.657 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000356124531 415873441 /nfs/dbraw/zinc/87/34/41/415873441.db2.gz WOBDJOKMAWDINL-UHFFFAOYSA-N 1 0 313.277 1.011 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000130949088 415922969 /nfs/dbraw/zinc/92/29/69/415922969.db2.gz IJEPHPXAPKIQJB-SNVBAGLBSA-N 1 0 301.368 0.870 20 5 DCBDRO CC[C@@H](C)[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000297200615 415958320 /nfs/dbraw/zinc/95/83/20/415958320.db2.gz GNZCOBKJKXZSSQ-GFCCVEGCSA-N 1 0 324.385 0.917 20 5 DCBDRO C[N@H+](CCOCCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337468902 415966201 /nfs/dbraw/zinc/96/62/01/415966201.db2.gz VCAZNZLTAQPGOX-UHFFFAOYSA-N 1 0 311.338 0.864 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000356750241 415981491 /nfs/dbraw/zinc/98/14/91/415981491.db2.gz ZYTPKIOOWIWNIR-UHFFFAOYSA-N 1 0 324.385 0.084 20 5 DCBDRO CO[C@H]1C[C@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)[N@H+](C)C1 ZINC000344510027 415934289 /nfs/dbraw/zinc/93/42/89/415934289.db2.gz KNIXUPFPQWYYMX-ZJUUUORDSA-N 1 0 311.342 0.119 20 5 DCBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000338079093 416041845 /nfs/dbraw/zinc/04/18/45/416041845.db2.gz JSEFCZUWRITWDS-GFCCVEGCSA-N 1 0 322.365 0.605 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])cn2)C1 ZINC000301183314 416077905 /nfs/dbraw/zinc/07/79/05/416077905.db2.gz OCXBUBUZERMKHA-LLVKDONJSA-N 1 0 307.354 0.989 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000174877990 416090442 /nfs/dbraw/zinc/09/04/42/416090442.db2.gz OFKARHOTDRJHHN-CYBMUJFWSA-N 1 0 309.370 0.588 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2CN2CCOCC2)n1 ZINC000176270007 416123473 /nfs/dbraw/zinc/12/34/73/416123473.db2.gz XWSNJSPEBPCWPG-CYBMUJFWSA-N 1 0 309.370 0.588 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000358084472 416188514 /nfs/dbraw/zinc/18/85/14/416188514.db2.gz WNXPLXUGHXVXNI-OAHLLOKOSA-N 1 0 318.333 0.873 20 5 DCBDRO C[NH+](C)CCOc1cnccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000341035409 416201367 /nfs/dbraw/zinc/20/13/67/416201367.db2.gz JSDNELYHBATVGA-UHFFFAOYSA-N 1 0 318.337 1.332 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192496086 416306548 /nfs/dbraw/zinc/30/65/48/416306548.db2.gz ACIOQVBNQKPLPP-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359313184 416320939 /nfs/dbraw/zinc/32/09/39/416320939.db2.gz UKRFIWDRJKZPDJ-TXEJJXNPSA-N 1 0 304.350 0.993 20 5 DCBDRO CC[NH2+][C@@H](C)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358947232 416296370 /nfs/dbraw/zinc/29/63/70/416296370.db2.gz SGWDIEZHJJSPAN-NSHDSACASA-N 1 0 322.365 0.829 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415450705 416344015 /nfs/dbraw/zinc/34/40/15/416344015.db2.gz MWNYOCUOEDZFEG-ZDUSSCGKSA-N 1 0 320.349 0.949 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415509476 416345730 /nfs/dbraw/zinc/34/57/30/416345730.db2.gz HRJOQRRLJUJOJN-SSDOTTSWSA-N 1 0 314.729 0.898 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000415548736 416347304 /nfs/dbraw/zinc/34/73/04/416347304.db2.gz FSFZKAJRNQEFFB-SECBINFHSA-N 1 0 308.338 0.949 20 5 DCBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415680958 416351014 /nfs/dbraw/zinc/35/10/14/416351014.db2.gz QQXNAXSERBANPK-PRHODGIISA-N 1 0 324.312 0.929 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000419763146 416409562 /nfs/dbraw/zinc/40/95/62/416409562.db2.gz ULAHHWOUFRIENA-LBPRGKRZSA-N 1 0 320.349 0.388 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@H]1C[N@@H+]2CCN1CCC2 ZINC000360833866 416413484 /nfs/dbraw/zinc/41/34/84/416413484.db2.gz YSZJQJIIVZXXEM-OAHLLOKOSA-N 1 0 318.377 0.643 20 5 DCBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000458567657 416481151 /nfs/dbraw/zinc/48/11/51/416481151.db2.gz OJZLRTNEQXSRDW-GFCCVEGCSA-N 1 0 324.385 0.917 20 5 DCBDRO CC[NH+](CC)CCNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000532717812 416449612 /nfs/dbraw/zinc/44/96/12/416449612.db2.gz NYBUTQIAKJOSFX-UHFFFAOYSA-N 1 0 316.383 0.996 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000423671918 416537732 /nfs/dbraw/zinc/53/77/32/416537732.db2.gz XRFPYYIHQDUMPJ-NSHDSACASA-N 1 0 322.365 0.877 20 5 DCBDRO O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000423723542 416550690 /nfs/dbraw/zinc/55/06/90/416550690.db2.gz LQZCAWQSBPPPTJ-IINYFYTJSA-N 1 0 301.306 1.409 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000584183246 416507298 /nfs/dbraw/zinc/50/72/98/416507298.db2.gz AKSGSRJKQVHFHF-BXKDBHETSA-N 1 0 322.296 0.118 20 5 DCBDRO COC(=O)c1cc(C(=O)NC[C@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000423468665 416515391 /nfs/dbraw/zinc/51/53/91/416515391.db2.gz BRUMIEALDKWTGW-LBPRGKRZSA-N 1 0 307.306 0.849 20 5 DCBDRO CC[NH+]1CCN(CCNc2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000596075051 416576498 /nfs/dbraw/zinc/57/64/98/416576498.db2.gz XXCUAFIDWWHWMW-UHFFFAOYSA-N 1 0 319.369 0.687 20 5 DCBDRO [NH3+]C[C@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000423896599 416584589 /nfs/dbraw/zinc/58/45/89/416584589.db2.gz GRUNMQFMZJAYRM-ZDUSSCGKSA-N 1 0 321.312 0.789 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000366462778 416630013 /nfs/dbraw/zinc/63/00/13/416630013.db2.gz PMDMQYYIDAVBSA-IMRBUKKESA-N 1 0 313.317 0.728 20 5 DCBDRO C[C@H]1CC2(CN1C(=O)c1c([N+](=O)[O-])cnn1C)CC[NH2+]CC2 ZINC000424249659 416633245 /nfs/dbraw/zinc/63/32/45/416633245.db2.gz YOPMSNBXKVKQKR-JTQLQIEISA-N 1 0 307.354 0.933 20 5 DCBDRO C[C@@H]1C[NH2+]CC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440806017 416649542 /nfs/dbraw/zinc/64/95/42/416649542.db2.gz GWFJHWKOQYAINH-SFYZADRCSA-N 1 0 305.381 0.933 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000609288115 416654010 /nfs/dbraw/zinc/65/40/10/416654010.db2.gz AHYCJUXEHULGBD-LBPRGKRZSA-N 1 0 308.386 0.545 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425505741 416711377 /nfs/dbraw/zinc/71/13/77/416711377.db2.gz ZBZLVWBSNJJTTC-DGCLKSJQSA-N 1 0 321.341 0.081 20 5 DCBDRO CC(C)(C(=O)N[C@H](CC[NH3+])C(F)F)n1cc([N+](=O)[O-])cn1 ZINC000516928447 416755852 /nfs/dbraw/zinc/75/58/52/416755852.db2.gz UEUKVYGXMBQPPR-MRVPVSSYSA-N 1 0 305.285 0.625 20 5 DCBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000443449875 416760001 /nfs/dbraw/zinc/76/00/01/416760001.db2.gz BODLRVGDGIZPLV-GFCCVEGCSA-N 1 0 301.368 0.998 20 5 DCBDRO CC[NH2+]CCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000517139561 416782487 /nfs/dbraw/zinc/78/24/87/416782487.db2.gz HZFXLZMOOMPEGQ-UHFFFAOYSA-N 1 0 322.365 0.749 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429052301 287333283 /nfs/dbraw/zinc/33/32/83/287333283.db2.gz KMOXYLYWAWMHHJ-NXEZZACHSA-N 1 0 324.337 0.646 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000428385809 416894244 /nfs/dbraw/zinc/89/42/44/416894244.db2.gz ZUMYWIIZTACBOP-ZJUUUORDSA-N 1 0 310.358 0.387 20 5 DCBDRO O=C1NCC[C@H]1CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000565174486 416932708 /nfs/dbraw/zinc/93/27/08/416932708.db2.gz QWOKGMUVGUXGOP-LBPRGKRZSA-N 1 0 319.365 0.638 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000447241559 416972496 /nfs/dbraw/zinc/97/24/96/416972496.db2.gz BBGCJRLSDQPOHD-QMMMGPOBSA-N 1 0 303.340 0.477 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(C(=O)CCn2nc(C)c([N+](=O)[O-])c2C)C1 ZINC000429447205 416973789 /nfs/dbraw/zinc/97/37/89/416973789.db2.gz GLFCQQIAVNWJRR-LBPRGKRZSA-N 1 0 309.370 0.866 20 5 DCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000434706350 287355902 /nfs/dbraw/zinc/35/59/02/287355902.db2.gz JNMLSAUCLJJLPQ-JTQLQIEISA-N 1 0 323.353 0.383 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449583279 417151016 /nfs/dbraw/zinc/15/10/16/417151016.db2.gz AWEOXMFSKMUSRZ-WEDXCCLWSA-N 1 0 312.374 0.679 20 5 DCBDRO C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H](C)[NH3+] ZINC000449587329 417152462 /nfs/dbraw/zinc/15/24/62/417152462.db2.gz IYSRWSMIFFAQRY-DTWKUNHWSA-N 1 0 304.310 0.641 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000568902236 417193922 /nfs/dbraw/zinc/19/39/22/417193922.db2.gz ZSDAAKROGVQBPI-AAEUAGOBSA-N 1 0 308.313 0.478 20 5 DCBDRO Cc1nc(NC[C@H]2C[N@H+](CC(C)C)CCO2)ncc1[N+](=O)[O-] ZINC000450222666 417210540 /nfs/dbraw/zinc/21/05/40/417210540.db2.gz FMWJEQYRJBZCQE-LBPRGKRZSA-N 1 0 309.370 1.462 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000415289956 417357971 /nfs/dbraw/zinc/35/79/71/417357971.db2.gz BEHVGDSXXBZDRW-SECBINFHSA-N 1 0 322.321 0.492 20 5 DCBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000570201924 417323556 /nfs/dbraw/zinc/32/35/56/417323556.db2.gz NMAIOLABFIVNSE-ZYHUDNBSSA-N 1 0 311.338 0.401 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000570843577 417400533 /nfs/dbraw/zinc/40/05/33/417400533.db2.gz JGURCEYMKQBUBM-LLVKDONJSA-N 1 0 308.338 0.836 20 5 DCBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415353723 417370428 /nfs/dbraw/zinc/37/04/28/417370428.db2.gz CXCHRTKFNSZTKM-LLVKDONJSA-N 1 0 306.322 0.744 20 5 DCBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415377745 417374590 /nfs/dbraw/zinc/37/45/90/417374590.db2.gz BLMWPDWCRXJWCA-GMTAPVOTSA-N 1 0 305.338 0.921 20 5 DCBDRO O=C(NC[C@@H]1CN(C2CC2)CCO1)Nc1ccncc1[N+](=O)[O-] ZINC000455043903 417591551 /nfs/dbraw/zinc/59/15/51/417591551.db2.gz PUFKEVHCFIONOL-LLVKDONJSA-N 1 0 321.337 0.396 20 5 DCBDRO CN(C)C(=O)OC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000497072191 287635147 /nfs/dbraw/zinc/63/51/47/287635147.db2.gz LWIKVNHGBPQPBM-UHFFFAOYSA-N 1 0 311.342 0.954 20 5 DCBDRO CC(C)[N@H+](C)C[C@@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000324089943 261178936 /nfs/dbraw/zinc/17/89/36/261178936.db2.gz HBWAYTXIBXNMMX-LLVKDONJSA-N 1 0 321.333 0.892 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000354439125 261219173 /nfs/dbraw/zinc/21/91/73/261219173.db2.gz FOZQJJRSKUSRLN-NEPJUHHUSA-N 1 0 320.349 0.500 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCCNc1cc[nH+]cc1 ZINC000354442292 261220176 /nfs/dbraw/zinc/22/01/76/261220176.db2.gz IUKGSQBVJWKPAA-UHFFFAOYSA-N 1 0 318.337 0.535 20 5 DCBDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000354674042 261256292 /nfs/dbraw/zinc/25/62/92/261256292.db2.gz LTWHIVSQNPNEDA-GFCCVEGCSA-N 1 0 306.322 0.792 20 5 DCBDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000354681033 261257605 /nfs/dbraw/zinc/25/76/05/261257605.db2.gz ZJHDCENUXRLPGQ-CYBMUJFWSA-N 1 0 320.349 0.469 20 5 DCBDRO CC(C)[C@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000362843017 262080188 /nfs/dbraw/zinc/08/01/88/262080188.db2.gz NRSJXRJUIIBGOJ-CYBMUJFWSA-N 1 0 324.385 0.773 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363212719 262106421 /nfs/dbraw/zinc/10/64/21/262106421.db2.gz XOPGENRPQCIMBY-LBPRGKRZSA-N 1 0 307.354 0.878 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C1 ZINC000412252880 262184262 /nfs/dbraw/zinc/18/42/62/262184262.db2.gz QWQFGHVARHGWIS-SQWLQELKSA-N 1 0 319.361 0.881 20 5 DCBDRO [NH3+][C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000417909054 262264867 /nfs/dbraw/zinc/26/48/67/262264867.db2.gz JKSATWMMWXAIBJ-ZDUSSCGKSA-N 1 0 318.337 0.791 20 5 DCBDRO C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000417913100 262264892 /nfs/dbraw/zinc/26/48/92/262264892.db2.gz PLAJKEOCBAYYEU-WDEREUQCSA-N 1 0 310.358 0.560 20 5 DCBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000417915411 262265097 /nfs/dbraw/zinc/26/50/97/262265097.db2.gz SUKGHUGCGBIPMZ-QWRGUYRKSA-N 1 0 310.358 0.608 20 5 DCBDRO Cc1c(CNC(=O)N2CCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418079919 262269297 /nfs/dbraw/zinc/26/92/97/262269297.db2.gz LPMFCIDWCGREBQ-GFCCVEGCSA-N 1 0 308.338 0.772 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418518964 262281010 /nfs/dbraw/zinc/28/10/10/262281010.db2.gz ZPHFPMAKJVGZCF-SNVBAGLBSA-N 1 0 308.342 0.169 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418669863 262285583 /nfs/dbraw/zinc/28/55/83/262285583.db2.gz KHMUWVZTEJDGDS-IMRBUKKESA-N 1 0 318.333 0.717 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418773371 262288557 /nfs/dbraw/zinc/28/85/57/262288557.db2.gz CDFJHWZEXBGZCC-SECBINFHSA-N 1 0 308.338 0.626 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC000418920078 262298023 /nfs/dbraw/zinc/29/80/23/262298023.db2.gz HCMFTOOMIMTBPQ-GXFFZTMASA-N 1 0 320.349 0.059 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419121206 262310487 /nfs/dbraw/zinc/31/04/87/262310487.db2.gz ASLBYRQBOWFWIX-GHMZBOCLSA-N 1 0 320.349 0.722 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419154982 262313968 /nfs/dbraw/zinc/31/39/68/262313968.db2.gz SDGUPFBSXGTWSK-SECBINFHSA-N 1 0 308.338 0.626 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000419257809 262323510 /nfs/dbraw/zinc/32/35/10/262323510.db2.gz DFLXFAVDGHQBGQ-LLVKDONJSA-N 1 0 320.349 0.512 20 5 DCBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423350012 262439764 /nfs/dbraw/zinc/43/97/64/262439764.db2.gz YHKCKMTUURSUIJ-WBMJQRKESA-N 1 0 316.361 0.995 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000359866611 271148804 /nfs/dbraw/zinc/14/88/04/271148804.db2.gz BCHIZLPWWQZQCH-CYBMUJFWSA-N 1 0 323.349 0.571 20 5 DCBDRO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000411922563 271230561 /nfs/dbraw/zinc/23/05/61/271230561.db2.gz UXYXYYJAMVNQOY-SNVBAGLBSA-N 1 0 324.312 0.883 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418873220 271259385 /nfs/dbraw/zinc/25/93/85/271259385.db2.gz TTXUJTZXADOPLH-GFCCVEGCSA-N 1 0 320.349 0.122 20 5 DCBDRO C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000420445794 271371960 /nfs/dbraw/zinc/37/19/60/271371960.db2.gz SQUQLBTXWQDDNW-VHSXEESVSA-N 1 0 301.368 0.792 20 5 DCBDRO C[C@H]1COCCN1CCNc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420581950 271373019 /nfs/dbraw/zinc/37/30/19/271373019.db2.gz HUEFKGXZULVFDQ-JTQLQIEISA-N 1 0 308.338 0.826 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422823983 271387276 /nfs/dbraw/zinc/38/72/76/271387276.db2.gz FSOQCVKLGIKANW-SNVBAGLBSA-N 1 0 322.365 0.605 20 5 DCBDRO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000517555704 272468974 /nfs/dbraw/zinc/46/89/74/272468974.db2.gz YDHNKDANDSLGQB-VXGBXAGGSA-N 1 0 323.353 0.332 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000525185334 272572598 /nfs/dbraw/zinc/57/25/98/272572598.db2.gz BJLRUTCVWUHBLM-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515376340 287654167 /nfs/dbraw/zinc/65/41/67/287654167.db2.gz JITRVCRTLIRXKT-YPMHNXCESA-N 1 0 320.353 0.553 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000349993377 274208904 /nfs/dbraw/zinc/20/89/04/274208904.db2.gz QXBPSSKYILWGHC-VIFPVBQESA-N 1 0 309.322 0.762 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC000343054016 277437731 /nfs/dbraw/zinc/43/77/31/277437731.db2.gz NTJYGOYZDLJNEW-NXEZZACHSA-N 1 0 306.322 0.774 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237643813 279292347 /nfs/dbraw/zinc/29/23/47/279292347.db2.gz AOVQYXMLYBWUGR-SECBINFHSA-N 1 0 304.310 0.595 20 5 DCBDRO C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC[C@@H]1O ZINC000563810611 288705362 /nfs/dbraw/zinc/70/53/62/288705362.db2.gz IVUHURAWNXFVGB-HZSPNIEDSA-N 1 0 312.370 0.683 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000564081014 288724501 /nfs/dbraw/zinc/72/45/01/288724501.db2.gz WDIRICDDVQBKBV-NWDGAFQWSA-N 1 0 309.322 0.597 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H]2C)c([N+](=O)[O-])c1 ZINC000261631360 295195667 /nfs/dbraw/zinc/19/56/67/295195667.db2.gz HPOFGJMPAJICAW-SCZZXKLOSA-N 1 0 315.351 0.714 20 5 DCBDRO CC[NH2+]CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420428515 535477105 /nfs/dbraw/zinc/47/71/05/535477105.db2.gz YXHYYMAIFZTECA-UHFFFAOYSA-N 1 0 301.368 0.666 20 5 DCBDRO [NH3+]C[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CCO1 ZINC000165818928 303413060 /nfs/dbraw/zinc/41/30/60/303413060.db2.gz CTERHMVCWGLZCH-MRVPVSSYSA-N 1 0 317.143 0.916 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000570464701 332759876 /nfs/dbraw/zinc/75/98/76/332759876.db2.gz TYOPFNGINVMEDN-QWRGUYRKSA-N 1 0 318.333 0.287 20 5 DCBDRO C[S@](=O)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000393698219 337093661 /nfs/dbraw/zinc/09/36/61/337093661.db2.gz VSRVQHSHBPLNCB-MQJDWESPSA-N 1 0 316.383 0.043 20 5 DCBDRO C[C@H]1C[C@@H](C[NH3+])CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583084019 337237565 /nfs/dbraw/zinc/23/75/65/337237565.db2.gz RHTMXAPMRDGTGP-IUCAKERBSA-N 1 0 300.340 0.348 20 5 DCBDRO COc1ccc(OCC[NH+](CCO)CCO)c([N+](=O)[O-])c1 ZINC000266531380 524954689 /nfs/dbraw/zinc/95/46/89/524954689.db2.gz MACRTDCPVDELCM-UHFFFAOYSA-N 1 0 300.311 0.269 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237617365 525345706 /nfs/dbraw/zinc/34/57/06/525345706.db2.gz LPVBLKAVGYNBMD-WDEREUQCSA-N 1 0 320.349 0.533 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189357393 525796399 /nfs/dbraw/zinc/79/63/99/525796399.db2.gz UTXYKTSSMUDRTK-CYBMUJFWSA-N 1 0 309.366 0.972 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC2(C1)CC[NH2+]CC2 ZINC000364299067 526671285 /nfs/dbraw/zinc/67/12/85/526671285.db2.gz IGTGDLABUNAPGT-UHFFFAOYSA-N 1 0 307.354 0.784 20 5 DCBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CC[NH2+]CC1 ZINC000159421731 526862359 /nfs/dbraw/zinc/86/23/59/526862359.db2.gz RVKOEUPHZFWBMB-UHFFFAOYSA-N 1 0 302.294 0.221 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000237930165 527363445 /nfs/dbraw/zinc/36/34/45/527363445.db2.gz PXDIOBNNWYCQRQ-SECBINFHSA-N 1 0 302.294 0.349 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1CC[NH2+]CC1 ZINC000238082097 527617694 /nfs/dbraw/zinc/61/76/94/527617694.db2.gz MNPGEPILNAAPNB-ZZXKWVIFSA-N 1 0 304.350 0.629 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000295306076 546014080 /nfs/dbraw/zinc/01/40/80/546014080.db2.gz VNMMQZUEZOPVNS-YABSGUDNSA-N 1 0 313.317 0.728 20 5 DCBDRO C[NH+](C)[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736760619 598601775 /nfs/dbraw/zinc/60/17/75/598601775.db2.gz BFUGQYMQAMQDJZ-JTQLQIEISA-N 1 0 303.326 0.915 20 5 DCBDRO C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821624009 599399257 /nfs/dbraw/zinc/39/92/57/599399257.db2.gz XJLZZSCDKHNJLC-UHFFFAOYSA-N 1 0 304.314 0.676 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891538137 657466239 /nfs/dbraw/zinc/46/62/39/657466239.db2.gz QKFDLZZMFBDPGY-JQWIXIFHSA-N 1 0 306.322 0.729 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261787222 661677933 /nfs/dbraw/zinc/67/79/33/661677933.db2.gz XLSJPUQYJBPYHY-CYBMUJFWSA-N 1 0 311.363 0.969 20 5 DCBDRO C[NH2+][C@H](C)CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000261839772 661744387 /nfs/dbraw/zinc/74/43/87/661744387.db2.gz WEWSAMFOVVUSAL-SSDOTTSWSA-N 1 0 321.330 0.629 20 5 DCBDRO Cc1ccnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000983650547 661996920 /nfs/dbraw/zinc/99/69/20/661996920.db2.gz VZVPCNSGHNHCSZ-FDYHWXHSSA-N 1 0 319.365 0.435 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983650974 661998463 /nfs/dbraw/zinc/99/84/63/661998463.db2.gz ZGKKBQBRUHSPJN-FMKGYKFTSA-N 1 0 304.350 0.731 20 5 DCBDRO Cc1ncoc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983656365 662001498 /nfs/dbraw/zinc/00/14/98/662001498.db2.gz AWCXMFLUELTYQL-DDHJBXDOSA-N 1 0 308.338 0.633 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nncs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983656589 662001986 /nfs/dbraw/zinc/00/19/86/662001986.db2.gz FPDNDBNYMSOKGO-ZYUZMQFOSA-N 1 0 311.367 0.188 20 5 DCBDRO CNC(=O)c1ccc(N2CC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895009192 662042741 /nfs/dbraw/zinc/04/27/41/662042741.db2.gz UEGJEYRLMXQFHE-HNNXBMFYSA-N 1 0 322.365 0.457 20 5 DCBDRO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896539478 662284761 /nfs/dbraw/zinc/28/47/61/662284761.db2.gz PCNIIYVTFVROCO-NWDGAFQWSA-N 1 0 300.403 0.572 20 5 DCBDRO C[C@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000730080344 663044923 /nfs/dbraw/zinc/04/49/23/663044923.db2.gz BXJLTTUSHKEPML-JSGCOSHPSA-N 1 0 309.366 0.970 20 5 DCBDRO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000900804466 663281554 /nfs/dbraw/zinc/28/15/54/663281554.db2.gz MWYCTIKINDYQGF-WFASDCNBSA-N 1 0 320.393 0.888 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000903840213 663488780 /nfs/dbraw/zinc/48/87/80/663488780.db2.gz PTOOAONPSQLYQU-GJZGRUSLSA-N 1 0 309.366 0.939 20 5 DCBDRO O=C(c1ccccc1)N1C[C@H](C[NH2+]CC[N+](=O)[O-])N2CC[C@H]1C2 ZINC000905189255 663537250 /nfs/dbraw/zinc/53/72/50/663537250.db2.gz GZHGMVYPDYANFT-GJZGRUSLSA-N 1 0 318.377 0.452 20 5 DCBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000911973120 664128709 /nfs/dbraw/zinc/12/87/09/664128709.db2.gz DTTRQKJFIXNTAR-FZMZJTMJSA-N 1 0 304.350 0.838 20 5 DCBDRO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000912813236 664231598 /nfs/dbraw/zinc/23/15/98/664231598.db2.gz HCHJVTDDEPBHKP-NEPJUHHUSA-N 1 0 324.385 0.765 20 5 DCBDRO [NH3+]C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000165885379 664430092 /nfs/dbraw/zinc/43/00/92/664430092.db2.gz XVHZTEWQGFVHDQ-QMMMGPOBSA-N 1 0 317.143 0.916 20 5 DCBDRO CN1CCOC[C@]1(CO)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922535635 666477385 /nfs/dbraw/zinc/47/73/85/666477385.db2.gz KGOHWGPJTXZFGA-DQOPKJQZSA-N 1 0 321.377 0.891 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861542651 666941947 /nfs/dbraw/zinc/94/19/47/666941947.db2.gz RCWPHIDMHOKMPF-VIFPVBQESA-N 1 0 308.338 0.956 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861542650 666941984 /nfs/dbraw/zinc/94/19/84/666941984.db2.gz RCWPHIDMHOKMPF-SECBINFHSA-N 1 0 308.338 0.956 20 5 DCBDRO C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])c(C3CC3)n2)CC1 ZINC000865363897 667321859 /nfs/dbraw/zinc/32/18/59/667321859.db2.gz XQEXWBKNWOYXPB-UHFFFAOYSA-N 1 0 307.354 0.879 20 5 DCBDRO O=C1COC[C@@]2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000865800563 667348951 /nfs/dbraw/zinc/34/89/51/667348951.db2.gz KGTLGLNFRPIRBS-OAHLLOKOSA-N 1 0 321.333 0.312 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH2+]Cc3ccccc32)c1 ZINC000923286542 667496558 /nfs/dbraw/zinc/49/65/58/667496558.db2.gz NYGJYHQOXZZTHD-AWEZNQCLSA-N 1 0 317.349 0.762 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000923292674 667497830 /nfs/dbraw/zinc/49/78/30/667497830.db2.gz YZOZHLQPTHCNGK-HNNXBMFYSA-N 1 0 323.397 0.616 20 5 DCBDRO Cc1cc(F)cc(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000762715005 668372917 /nfs/dbraw/zinc/37/29/17/668372917.db2.gz DUYILVSWBMXBLE-CQSZACIVSA-N 1 0 311.313 0.839 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000762721272 668374312 /nfs/dbraw/zinc/37/43/12/668374312.db2.gz KAZDZNRXAFHICF-ZDUSSCGKSA-N 1 0 324.293 0.299 20 5 DCBDRO Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CN1CC[NH2+]CC1)CC2 ZINC000876904523 668532842 /nfs/dbraw/zinc/53/28/42/668532842.db2.gz CZSZQNLRONWBHS-UHFFFAOYSA-N 1 0 304.350 0.698 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877039845 668555716 /nfs/dbraw/zinc/55/57/16/668555716.db2.gz KRPWKOOHVQTKMJ-SNVBAGLBSA-N 1 0 308.338 0.379 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768891780 668626694 /nfs/dbraw/zinc/62/66/94/668626694.db2.gz MOCKUFHNLZQUAY-JTQLQIEISA-N 1 0 321.380 0.001 20 5 DCBDRO COCC[N@H+]1[C@H](C)CN(Cc2cn(C)nc2[N+](=O)[O-])C[C@@H]1C ZINC000877606201 668632752 /nfs/dbraw/zinc/63/27/52/668632752.db2.gz TVFUFCMYSXKZCF-TXEJJXNPSA-N 1 0 311.386 0.869 20 5 DCBDRO NC(=O)C1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000784191337 669192797 /nfs/dbraw/zinc/19/27/97/669192797.db2.gz YUODIRYGGNVNGO-LLVKDONJSA-N 1 0 323.349 0.722 20 5 DCBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000794971375 669869336 /nfs/dbraw/zinc/86/93/36/669869336.db2.gz IKAAEFSAVMDIJN-RFQIPJPRSA-N 1 0 306.318 0.979 20 5 DCBDRO CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC(C)(C)OC1=O ZINC000795661817 669906605 /nfs/dbraw/zinc/90/66/05/669906605.db2.gz PLVYEPKKZTZWCV-MNOVXSKESA-N 1 0 312.326 0.178 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000716729898 670272094 /nfs/dbraw/zinc/27/20/94/670272094.db2.gz JOOWBAZUGYIWMJ-SECBINFHSA-N 1 0 301.730 0.901 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808217354 670399834 /nfs/dbraw/zinc/39/98/34/670399834.db2.gz BEVHPMNIKKZBMW-SNVBAGLBSA-N 1 0 308.338 0.364 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](CO)C[NH+](C)C)c1F ZINC000854465672 670572224 /nfs/dbraw/zinc/57/22/24/670572224.db2.gz SSJFKIQWEGYPSY-MRVPVSSYSA-N 1 0 317.292 0.834 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000850868031 670950975 /nfs/dbraw/zinc/95/09/75/670950975.db2.gz WETXZHVNTQDKDM-SSDOTTSWSA-N 1 0 314.729 0.911 20 5 DCBDRO [NH3+][C@@H]1CN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[C@H]1F ZINC000851648284 671004067 /nfs/dbraw/zinc/00/40/67/671004067.db2.gz ABLNGFMRIPRFMM-VXGBXAGGSA-N 1 0 321.312 0.842 20 5 DCBDRO O=C1COc2cc([N+](=O)[O-])c(NCC[N@H+]3CC[C@H](O)C3)cc2N1 ZINC000858866581 671048442 /nfs/dbraw/zinc/04/84/42/671048442.db2.gz BSWOHONZDCVAQF-VIFPVBQESA-N 1 0 322.321 0.404 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCc2nnc3n2CCC3)c1 ZINC000818966785 671081396 /nfs/dbraw/zinc/08/13/96/671081396.db2.gz UDLFBAFNVIKIMI-ZDUSSCGKSA-N 1 0 317.349 0.998 20 5 DCBDRO CS(=O)(=O)C1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819276932 671108477 /nfs/dbraw/zinc/10/84/77/671108477.db2.gz WAUITKBEFZGAPR-GFCCVEGCSA-N 1 0 314.363 0.795 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3nnnn3CC2)c1 ZINC000819375977 671115818 /nfs/dbraw/zinc/11/58/18/671115818.db2.gz XNEFCCVNEGJKSA-YPMHNXCESA-N 1 0 318.337 0.609 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852797507 671161564 /nfs/dbraw/zinc/16/15/64/671161564.db2.gz VFQUYSWISVFFAQ-ZDUSSCGKSA-N 1 0 305.334 0.980 20 5 DCBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCC[NH+](C)C ZINC000822149254 671308262 /nfs/dbraw/zinc/30/82/62/671308262.db2.gz YPCQPJYQOYOJGQ-UHFFFAOYSA-N 1 0 312.301 0.984 20 5 DCBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000830553429 671632090 /nfs/dbraw/zinc/63/20/90/671632090.db2.gz IEKMUNUONVJSEP-CQSZACIVSA-N 1 0 322.296 0.908 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841970028 671970240 /nfs/dbraw/zinc/97/02/40/671970240.db2.gz TVQXEEHVZKPEJA-LLVKDONJSA-N 1 0 307.354 0.774 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCO1 ZINC000842511377 672015504 /nfs/dbraw/zinc/01/55/04/672015504.db2.gz ZAPIRHNTBYVYIH-LBPRGKRZSA-N 1 0 324.293 0.693 20 5 DCBDRO C[NH2+]C[C@@](C)(O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846217670 672301276 /nfs/dbraw/zinc/30/12/76/672301276.db2.gz KWSREQNFNHUWHK-OAHLLOKOSA-N 1 0 308.382 0.687 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCOC1CCC1)C2 ZINC001072724716 694657269 /nfs/dbraw/zinc/65/72/69/694657269.db2.gz BQHXCPPEBJASTN-ZIAGYGMSSA-N 1 0 323.393 0.755 20 5 DCBDRO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCc3c2ccc([N+](=O)[O-])c3F)C1 ZINC001574001827 1163621264 /nfs/dbraw/zinc/62/12/64/1163621264.db2.gz ZFGWRJIJRURSNM-PSASIEDQSA-N 1 0 309.297 1.000 20 5 DCBDRO COc1ccc(C(=O)CNC(=O)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001574024248 1163626266 /nfs/dbraw/zinc/62/62/66/1163626266.db2.gz WEAOONXMZVDFBQ-JTQLQIEISA-N 1 0 307.306 0.512 20 5 DCBDRO CC(C)(C(=O)NC[C@H]1C[NH2+]CCCO1)n1cc([N+](=O)[O-])cn1 ZINC001575092386 1163890147 /nfs/dbraw/zinc/89/01/47/1163890147.db2.gz IRGYHUZNHHXOIB-LLVKDONJSA-N 1 0 311.342 0.021 20 5 DCBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001578396267 1164998196 /nfs/dbraw/zinc/99/81/96/1164998196.db2.gz GDWZKESQDOYBPS-JTQLQIEISA-N 1 0 300.340 0.348 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001578646690 1165077559 /nfs/dbraw/zinc/07/75/59/1165077559.db2.gz HJLUSTDESMIHLL-GHMZBOCLSA-N 1 0 310.354 0.878 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001579537411 1165341312 /nfs/dbraw/zinc/34/13/12/1165341312.db2.gz QVMPDQGUCXTASN-UHFFFAOYSA-N 1 0 309.297 0.857 20 5 DCBDRO Cc1ccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001579696180 1165378347 /nfs/dbraw/zinc/37/83/47/1165378347.db2.gz ZWEOFKPUQFQJHQ-ZDUSSCGKSA-N 1 0 321.381 0.688 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001579877475 1165420564 /nfs/dbraw/zinc/42/05/64/1165420564.db2.gz OVJRHVAXCXCTGS-UHFFFAOYSA-N 1 0 323.353 0.079 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cn(C2C[NH2+]C2)nn1 ZINC001580574398 1165642223 /nfs/dbraw/zinc/64/22/23/1165642223.db2.gz OOYOKMAPKVCTDW-UHFFFAOYSA-N 1 0 316.321 0.190 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@@]2(C1)C[NH2+]CCO2 ZINC001580822425 1165727141 /nfs/dbraw/zinc/72/71/41/1165727141.db2.gz TVPRLFVCHKDIER-AWEZNQCLSA-N 1 0 309.297 0.938 20 5 DCBDRO O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)NCC1C[NH2+]C1 ZINC001580875115 1165749349 /nfs/dbraw/zinc/74/93/49/1165749349.db2.gz YWNFUSSMFGTBRB-UHFFFAOYSA-N 1 0 322.346 0.641 20 5 DCBDRO O=[N+]([O-])c1cccc(OCCN2CCN(C3C[NH2+]C3)CC2)c1 ZINC001580876024 1165749616 /nfs/dbraw/zinc/74/96/16/1165749616.db2.gz XCINDHMLAGRQHG-UHFFFAOYSA-N 1 0 306.366 0.563 20 5 DCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1C[N@H+](C)CCN1C ZINC001586538796 1166495373 /nfs/dbraw/zinc/49/53/73/1166495373.db2.gz QHPSFCQKUSJSPJ-QMTHXVAHSA-N 1 0 321.381 0.541 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)n1 ZINC001586991736 1166501853 /nfs/dbraw/zinc/50/18/53/1166501853.db2.gz CHCVKLJNNJDLBF-NSHDSACASA-N 1 0 322.365 0.873 20 5 DCBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589887243 1166707908 /nfs/dbraw/zinc/70/79/08/1166707908.db2.gz PWOSHGDUUMZIQR-BDAKNGLRSA-N 1 0 306.326 0.881 20 5 DCBDRO C[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001590310367 1166858393 /nfs/dbraw/zinc/85/83/93/1166858393.db2.gz VPWCGIHGEFWLMG-QPUJVOFHSA-N 1 0 304.310 0.588 20 5 DCBDRO CCC[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001590569432 1166947555 /nfs/dbraw/zinc/94/75/55/1166947555.db2.gz RKBJJVXBJAIKCK-SNVBAGLBSA-N 1 0 318.341 0.748 20 5 DCBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609114715 1170814818 /nfs/dbraw/zinc/81/48/18/1170814818.db2.gz SUIQKMQHBLLZQZ-DTWKUNHWSA-N 1 0 306.326 0.881 20 5 DCBDRO CN1C[C@@H](C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)OC1=O ZINC001620495282 1171403385 /nfs/dbraw/zinc/40/33/85/1171403385.db2.gz KQIWXMJQNGRTOI-TZMCWYRMSA-N 1 0 309.322 0.843 20 5 DCBDRO Nc1ncc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001624812054 1171461041 /nfs/dbraw/zinc/46/10/41/1171461041.db2.gz MURLJOMKQPLPLP-WDEREUQCSA-N 1 0 305.338 0.929 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001629833622 1171559356 /nfs/dbraw/zinc/55/93/56/1171559356.db2.gz FVMDJCNVJQQXGF-UKRRQHHQSA-N 1 0 322.365 0.578 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001639364642 1171833549 /nfs/dbraw/zinc/83/35/49/1171833549.db2.gz DKAMAYWZSIRCGY-VIFPVBQESA-N 1 0 306.322 0.380 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001640128890 1171866903 /nfs/dbraw/zinc/86/69/03/1171866903.db2.gz YDCRZRDPQGPVCQ-MNOVXSKESA-N 1 0 323.353 0.298 20 5 DCBDRO Cc1cnc(NC[C@@]2(CO)COC[C@@H]3CCCN32)c([N+](=O)[O-])c1 ZINC001640539644 1171883069 /nfs/dbraw/zinc/88/30/69/1171883069.db2.gz IUGHHGHQAQZDJM-SWLSCSKDSA-N 1 0 322.365 0.936 20 5 DCBDRO Cc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1[N+](=O)[O-] ZINC001642432445 1171945238 /nfs/dbraw/zinc/94/52/38/1171945238.db2.gz UCWCPENDTSRYEP-VIFPVBQESA-N 1 0 311.342 0.201 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@@H]2C1 ZINC001642884901 1171960090 /nfs/dbraw/zinc/96/00/90/1171960090.db2.gz PZLYBKYFVXRBKN-ZJUUUORDSA-N 1 0 305.338 0.477 20 5 DCBDRO COC[C@]1(CO)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116883 1171967075 /nfs/dbraw/zinc/96/70/75/1171967075.db2.gz DNJTYWKWPPLDMC-LSDHHAIUSA-N 1 0 310.350 0.959 20 5 DCBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)CCOCCO ZINC001643499756 1171978832 /nfs/dbraw/zinc/97/88/32/1171978832.db2.gz CAFMJTVOXCSXRK-UHFFFAOYSA-N 1 0 317.367 0.327 20 5 DCBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)c1c[nH]nc1[N+](=O)[O-] ZINC001647728956 1173053562 /nfs/dbraw/zinc/05/35/62/1173053562.db2.gz MFRAYLCQACLOOY-SNVBAGLBSA-N 1 0 309.326 0.301 20 5 DCBDRO CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C(=O)OC ZINC001654876091 1173812304 /nfs/dbraw/zinc/81/23/04/1173812304.db2.gz XHYPFVFVGAMJNI-NSHDSACASA-N 1 0 314.342 0.426 20 5 DCBDRO NC(=O)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001656153887 1173846239 /nfs/dbraw/zinc/84/62/39/1173846239.db2.gz PKTAFTBIFOSRHF-PHIMTYICSA-N 1 0 306.322 0.065 20 5 DCBDRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659189746 1173931366 /nfs/dbraw/zinc/93/13/66/1173931366.db2.gz OHRPLKSBIMOMTD-MDZLAQPJSA-N 1 0 322.365 0.731 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cnn(C)n1 ZINC001664248271 1174413574 /nfs/dbraw/zinc/41/35/74/1174413574.db2.gz IZHJWWMPYXEVPB-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001670091247 1174980696 /nfs/dbraw/zinc/98/06/96/1174980696.db2.gz UZPGRNXOXUXCAQ-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO CC(C)C[NH2+]C1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001672455928 1175109257 /nfs/dbraw/zinc/10/92/57/1175109257.db2.gz SCKZPGMYNDFDND-ZIAGYGMSSA-N 1 0 312.414 0.478 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000158625895 1180565247 /nfs/dbraw/zinc/56/52/47/1180565247.db2.gz IXSCHEZCSFZTIG-ZWNOBZJWSA-N 1 0 314.363 0.653 20 5 DCBDRO C[N@H+](CCCO)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717113044 1182681460 /nfs/dbraw/zinc/68/14/60/1182681460.db2.gz SHSZBNQZSQFUHW-HUUCEWRRSA-N 1 0 321.377 0.782 20 5 DCBDRO CCOc1nc(N2CCN3CC[NH2+]C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164402817 718837118 /nfs/dbraw/zinc/83/71/18/718837118.db2.gz HQDCESLMKIBHHI-LLVKDONJSA-N 1 0 307.354 0.482 20 5 DCBDRO Cc1nc(Cl)nc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164666390 719371107 /nfs/dbraw/zinc/37/11/07/719371107.db2.gz FXAFLQZKOLBKCO-DTWKUNHWSA-N 1 0 313.745 0.866 20 5 DCBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001164919606 721848771 /nfs/dbraw/zinc/84/87/71/721848771.db2.gz BIHSLODNQOQTJL-UONOGXRCSA-N 1 0 321.381 0.443 20 5 DCBDRO Cc1nc(N)ccc1CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001167786019 748283609 /nfs/dbraw/zinc/28/36/09/748283609.db2.gz FXPBESDLZIGHQV-UHFFFAOYSA-N 1 0 315.337 0.969 20 5 DCBDRO C[NH+](C)CCNc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001161668800 748820754 /nfs/dbraw/zinc/82/07/54/748820754.db2.gz PPWJDEUQFPVDDR-UHFFFAOYSA-N 1 0 305.132 0.964 20 5 DCBDRO COc1cccc(CCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126939371 750151785 /nfs/dbraw/zinc/15/17/85/750151785.db2.gz VSPWQASYSDJFCP-HUUCEWRRSA-N 1 0 321.377 0.999 20 5 DCBDRO C[NH+](C)CCOc1cc(-n2[n-]c(=O)nc2C[NH3+])ccc1[N+](=O)[O-] ZINC001168760749 754594631 /nfs/dbraw/zinc/59/46/31/754594631.db2.gz FRLDFEKROZOQJI-UHFFFAOYSA-N 1 0 322.325 0.280 20 5 DCBDRO Cc1cc(C[N@H+]2C[C@H]3CN(C(=O)[C@@H]4C[C@H]4[N+](=O)[O-])C[C@H]3C2)on1 ZINC001048813083 754954731 /nfs/dbraw/zinc/95/47/31/754954731.db2.gz ZEOCSCLTRTYVNT-ZMJPVWNMSA-N 1 0 320.349 0.538 20 5 DCBDRO COc1ccc(C[C@@H](C)n2nnc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001170310482 762606884 /nfs/dbraw/zinc/60/68/84/762606884.db2.gz WSTNWILIAXRJJS-SECBINFHSA-N 1 0 306.326 0.895 20 5 DCBDRO COc1ccc(C[C@@H](C)N2CCO[C@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170351733 762625595 /nfs/dbraw/zinc/62/55/95/762625595.db2.gz HIJBZRQGDAKWFD-YGRLFVJLSA-N 1 0 323.349 0.721 20 5 DCBDRO Cn1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086363447 760101361 /nfs/dbraw/zinc/10/13/61/760101361.db2.gz VEBIXDKSJIWFGX-OJAKKHQRSA-N 1 0 307.354 0.070 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001123249067 767954044 /nfs/dbraw/zinc/95/40/44/767954044.db2.gz XAJVJRLKMNBEFM-LBPRGKRZSA-N 1 0 324.337 0.588 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013448 760543901 /nfs/dbraw/zinc/54/39/01/760543901.db2.gz VHHBWXQVFVMWBJ-VLEAKVRGSA-N 1 0 312.288 0.792 20 5 DCBDRO Cn1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001123348163 767966755 /nfs/dbraw/zinc/96/67/55/767966755.db2.gz OILNQVTYFYOPRM-UHFFFAOYSA-N 1 0 309.351 0.909 20 5 DCBDRO O=[N+]([O-])c1c(NCC[C@H]2CCC[NH2+]2)ncnc1N1CCOCC1 ZINC001169562944 760727914 /nfs/dbraw/zinc/72/79/14/760727914.db2.gz MUWJXDFPJBIDHU-LLVKDONJSA-N 1 0 322.369 0.775 20 5 DCBDRO COc1nc(-n2nnc3ccc(C[NH3+])cc32)nc(C)c1[N+](=O)[O-] ZINC001170016855 761522165 /nfs/dbraw/zinc/52/21/65/761522165.db2.gz MNEJMTKCBSSBRP-UHFFFAOYSA-N 1 0 315.293 0.894 20 5 DCBDRO [NH3+]CCOCCOCCNc1cc([N+](=O)[O-])c2nccn2c1 ZINC001170511255 763454193 /nfs/dbraw/zinc/45/41/93/763454193.db2.gz PHTBFSMIFDLRKQ-UHFFFAOYSA-N 1 0 309.326 0.646 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnsn1 ZINC001124155040 768152399 /nfs/dbraw/zinc/15/23/99/768152399.db2.gz SMBWUHGIFKXYFM-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001158711990 764655880 /nfs/dbraw/zinc/65/58/80/764655880.db2.gz XUCOSNTYQNUSBH-WDEREUQCSA-N 1 0 310.310 0.329 20 5 DCBDRO CCO[C@@H](CNC(=O)c1nn(CC)cc1[N+](=O)[O-])C[NH+](C)C ZINC001133348740 764938879 /nfs/dbraw/zinc/93/88/79/764938879.db2.gz INWURBSDKRRWFQ-JTQLQIEISA-N 1 0 313.358 0.508 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@H]2CO)n1 ZINC001159670739 766192615 /nfs/dbraw/zinc/19/26/15/766192615.db2.gz FZDJAIXEJMABPY-WDSKDSINSA-N 1 0 319.774 0.752 20 5 DCBDRO O=c1ccn(Cc2nc(CC3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC001119617349 766749601 /nfs/dbraw/zinc/74/96/01/766749601.db2.gz HXDIIPOXDCQDJV-UHFFFAOYSA-N 1 0 319.321 0.730 20 5 DCBDRO Cc1nnc([C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001171217239 767020091 /nfs/dbraw/zinc/02/00/91/767020091.db2.gz OMNOKEQARICQHV-ZYHUDNBSSA-N 1 0 321.341 0.068 20 5 DCBDRO COC(=O)c1cc(C(=O)NC23CC[NH+](CC2)C3)cc([N+](=O)[O-])c1 ZINC001171228128 767063517 /nfs/dbraw/zinc/06/35/17/767063517.db2.gz RYONMMCTRUGIKD-UHFFFAOYSA-N 1 0 319.317 0.959 20 5 DCBDRO CN(CC[NH+]1CCCCC1)c1nnc(CCC[N+](=O)[O-])n1C ZINC001121381651 767535199 /nfs/dbraw/zinc/53/51/99/767535199.db2.gz VFSJNUFSJRJIRH-UHFFFAOYSA-N 1 0 310.402 0.947 20 5 DCBDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001122182446 767734560 /nfs/dbraw/zinc/73/45/60/767734560.db2.gz VJHHAEOVCVCCEN-OUAUKWLOSA-N 1 0 308.338 0.354 20 5 DCBDRO COc1ccc(C(=O)N2CCNCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001122291397 767760409 /nfs/dbraw/zinc/76/04/09/767760409.db2.gz KAAXUBWHTXKDDD-UHFFFAOYSA-N 1 0 308.338 0.238 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122314190 767766583 /nfs/dbraw/zinc/76/65/83/767766583.db2.gz VTOLMWGYFQXHEX-GFCCVEGCSA-N 1 0 323.349 0.811 20 5 DCBDRO O=C(C[NH+]1CCCC1)NCCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001094434922 769050025 /nfs/dbraw/zinc/05/00/25/769050025.db2.gz YWGCQWINUMQYIL-UHFFFAOYSA-N 1 0 323.353 0.709 20 5 DCBDRO COC(=O)c1cccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1F ZINC001230971760 769145652 /nfs/dbraw/zinc/14/56/52/769145652.db2.gz KRKMLMQKXLSHQE-SNVBAGLBSA-N 1 0 314.333 0.975 20 5 DCBDRO COc1ccc2c(c1)[nH]nc2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001233615496 769410166 /nfs/dbraw/zinc/41/01/66/769410166.db2.gz KRXHKIBMQYHHFR-SNVBAGLBSA-N 1 0 308.358 0.934 20 5 DCBDRO C[C@@H](C[N+](C)(C)C)Oc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC001233619284 769410191 /nfs/dbraw/zinc/41/01/91/769410191.db2.gz FDUYOCUYSOWDJD-VIFPVBQESA-N 1 0 318.375 0.716 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001153749709 769914639 /nfs/dbraw/zinc/91/46/39/769914639.db2.gz NCRUNKVCBVLJRV-LLVKDONJSA-N 1 0 323.353 0.691 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001154765873 770288029 /nfs/dbraw/zinc/28/80/29/770288029.db2.gz KMTSGPYAKSPMFD-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO Cc1cnc(CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)nc1 ZINC001154869237 770320481 /nfs/dbraw/zinc/32/04/81/770320481.db2.gz QFTFGLJJZQWTRQ-UHFFFAOYSA-N 1 0 315.337 0.825 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC001155170694 770420063 /nfs/dbraw/zinc/42/00/63/770420063.db2.gz SGGUAGMICUFYHK-NSHDSACASA-N 1 0 309.326 0.410 20 5 DCBDRO NC(=O)CCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001177386477 770432649 /nfs/dbraw/zinc/43/26/49/770432649.db2.gz LLWQGKYDEQWQBF-UHFFFAOYSA-N 1 0 322.365 0.846 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1[N+](=O)[O-] ZINC001155545182 770539997 /nfs/dbraw/zinc/53/99/97/770539997.db2.gz MNZHWBMEDZZRRY-YMTOWFKASA-N 1 0 322.321 0.709 20 5 DCBDRO COc1cc(C)nc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155571367 770548607 /nfs/dbraw/zinc/54/86/07/770548607.db2.gz SEIDYHUAMMUDOH-NOZJJQNGSA-N 1 0 307.310 0.297 20 5 DCBDRO CCOC(=O)C=C(N)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155703227 770595810 /nfs/dbraw/zinc/59/58/10/770595810.db2.gz HOVNXCWSUHFKFR-UHFFFAOYSA-N 1 0 308.298 0.414 20 5 DCBDRO COC(C)(C)CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156439056 770816950 /nfs/dbraw/zinc/81/69/50/770816950.db2.gz CSXWNOUHBDOJMZ-UHFFFAOYSA-N 1 0 310.358 0.631 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)n1 ZINC001179009107 770928411 /nfs/dbraw/zinc/92/84/11/770928411.db2.gz YOLOCZACYOZICT-SNVBAGLBSA-N 1 0 306.322 0.501 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001179893164 771028840 /nfs/dbraw/zinc/02/88/40/771028840.db2.gz CWFXONMPNYGKGA-LBPRGKRZSA-N 1 0 320.349 0.215 20 5 DCBDRO COc1nc(N[C@H]2C[NH2+]CC[C@H]2F)nc(OC)c1[N+](=O)[O-] ZINC001157447801 771611480 /nfs/dbraw/zinc/61/14/80/771611480.db2.gz MJKHYIXGOBSHBM-RQJHMYQMSA-N 1 0 301.278 0.514 20 5 DCBDRO CCOC(=O)CN(CCC[NH3+])c1nc(Cl)ncc1[N+](=O)[O-] ZINC001157544203 771629312 /nfs/dbraw/zinc/62/93/12/771629312.db2.gz GTEPHFCIYVWMQS-UHFFFAOYSA-N 1 0 317.733 0.757 20 5 DCBDRO COc1nscc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767492 771665766 /nfs/dbraw/zinc/66/57/66/771665766.db2.gz OPSCWUWFUFMLBT-NXEZZACHSA-N 1 0 314.367 0.413 20 5 DCBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)O1 ZINC001159238983 771881169 /nfs/dbraw/zinc/88/11/69/771881169.db2.gz AEXOPUSUQTZKLN-NQBHXWOUSA-N 1 0 311.342 0.709 20 5 DCBDRO C[C@H](Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159501758 771920372 /nfs/dbraw/zinc/92/03/72/771920372.db2.gz XJGSWHFIGZYDNY-CBAPKCEASA-N 1 0 302.718 0.670 20 5 DCBDRO CSc1nc(Cl)nc(N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001159679066 771943793 /nfs/dbraw/zinc/94/37/93/771943793.db2.gz SEVQETRBELYMFA-RITPCOANSA-N 1 0 319.774 0.752 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001159864697 771970337 /nfs/dbraw/zinc/97/03/37/771970337.db2.gz KJTCXLJBLSBMCQ-UHFFFAOYSA-N 1 0 307.310 0.799 20 5 DCBDRO C[NH+](C)CCONC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001161773852 772281311 /nfs/dbraw/zinc/28/13/11/772281311.db2.gz MFVCJVMYLOWSNI-UHFFFAOYSA-N 1 0 320.309 0.399 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NCCN2CCC([NH3+])CC2)n1 ZINC001161867000 772291933 /nfs/dbraw/zinc/29/19/33/772291933.db2.gz AUDVXKYQJPMMOW-UHFFFAOYSA-N 1 0 310.358 0.537 20 5 DCBDRO COC(=O)c1ccc(C[NH3+])n1-c1ncc([N+](=O)[O-])c(OC)n1 ZINC001161934581 772302025 /nfs/dbraw/zinc/30/20/25/772302025.db2.gz ASXDHVRSCJTYEZ-UHFFFAOYSA-N 1 0 307.266 0.429 20 5 DCBDRO Cc1cc(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cn(C)c1=O ZINC001162510287 772384729 /nfs/dbraw/zinc/38/47/29/772384729.db2.gz CTVOJXHIJHXJIY-UHFFFAOYSA-N 1 0 316.321 0.822 20 5 DCBDRO O=[N+]([O-])c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cn2ccnc12 ZINC001163155127 772473616 /nfs/dbraw/zinc/47/36/16/772473616.db2.gz YYSCKHSLONGKFL-HZMBPMFUSA-N 1 0 303.322 0.890 20 5 DCBDRO CCOc1cnc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163239919 772488029 /nfs/dbraw/zinc/48/80/29/772488029.db2.gz WFRGZFDLTLQUFD-GXFFZTMASA-N 1 0 307.310 0.379 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)N1 ZINC001163240149 772488070 /nfs/dbraw/zinc/48/80/70/772488070.db2.gz XKHOWNNVQHBVAS-IUODEOHRSA-N 1 0 317.349 0.859 20 5 DCBDRO CN1Cc2cc(N[C@]34CC[NH2+][C@@H]3CC(=O)N4)cc([N+](=O)[O-])c2N1 ZINC001163255000 772494072 /nfs/dbraw/zinc/49/40/72/772494072.db2.gz RGIRPGKOVBZONK-RISCZKNCSA-N 1 0 318.337 0.357 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001163604474 772546537 /nfs/dbraw/zinc/54/65/37/772546537.db2.gz CHHWJLPJBPUJHD-OAHLLOKOSA-N 1 0 322.365 0.587 20 5 DCBDRO O=C1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC[C@@H]1F ZINC001164025975 772606767 /nfs/dbraw/zinc/60/67/67/772606767.db2.gz NXVJRIIZHUFNDV-VIFPVBQESA-N 1 0 309.301 0.579 20 5 DCBDRO CN(c1ccc2ncccc2c1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164297509 772640533 /nfs/dbraw/zinc/64/05/33/772640533.db2.gz WGMDCUWDZHLVBS-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO COc1nc(N2CCC[C@H]2C[NH+](C)C)nc(OC)c1[N+](=O)[O-] ZINC001165072841 772693568 /nfs/dbraw/zinc/69/35/68/772693568.db2.gz OXARHLPTCPQJID-VIFPVBQESA-N 1 0 311.342 0.932 20 5 DCBDRO [NH3+][C@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]1O ZINC001165147198 772700665 /nfs/dbraw/zinc/70/06/65/772700665.db2.gz HPGVQPDQWDEHPC-CAHLUQPWSA-N 1 0 308.672 0.696 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC001165144766 772700780 /nfs/dbraw/zinc/70/07/80/772700780.db2.gz JXACKCVLYBJYIE-NXEZZACHSA-N 1 0 306.322 0.774 20 5 DCBDRO COC(=O)c1cnc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165150812 772701799 /nfs/dbraw/zinc/70/17/99/772701799.db2.gz TXWKQCKRUYOXDO-GHMZBOCLSA-N 1 0 306.322 0.774 20 5 DCBDRO Nc1cc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165341440 772724399 /nfs/dbraw/zinc/72/43/99/772724399.db2.gz LASPCDPOTWAYAZ-AWEZNQCLSA-N 1 0 323.353 0.157 20 5 DCBDRO O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC[C@H]1C[C@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217884966 774205567 /nfs/dbraw/zinc/20/55/67/774205567.db2.gz WKDCBMSPNOTDMX-WYUUTHIRSA-N 1 0 324.337 0.336 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(=S)[nH]c2c1CCC2 ZINC001226299334 775795681 /nfs/dbraw/zinc/79/56/81/775795681.db2.gz ZWJPALWFTKHFCV-SECBINFHSA-O 1 0 312.415 0.617 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)CCNC2=O ZINC001227916541 776022580 /nfs/dbraw/zinc/02/25/80/776022580.db2.gz UKARGFLZROLFDD-GFCCVEGCSA-O 1 0 307.370 0.335 20 5 DCBDRO COCC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001229738013 776220217 /nfs/dbraw/zinc/22/02/17/776220217.db2.gz GSVJSNUNKSBDQH-CYBMUJFWSA-N 1 0 310.370 0.878 20 5 DCBDRO COC(=O)c1cccc(O)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230288514 776276989 /nfs/dbraw/zinc/27/69/89/776276989.db2.gz DDZPSGQRGDRBNR-SNVBAGLBSA-O 1 0 312.342 0.541 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccccn1 ZINC001266627342 939183238 /nfs/dbraw/zinc/18/32/38/939183238.db2.gz UQRCGNGQYZHFHQ-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO CCc1noc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481229345 939654503 /nfs/dbraw/zinc/65/45/03/939654503.db2.gz NTVCHSRBIMEALC-ZWNOBZJWSA-N 1 0 310.354 0.759 20 5 DCBDRO COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001268541803 940225598 /nfs/dbraw/zinc/22/55/98/940225598.db2.gz MQQQWIGCNZSRSW-XCUNLHGCSA-N 1 0 320.349 0.517 20 5 DCBDRO C[N@@H+]1CCCC12CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)CC2 ZINC001446872090 1013050427 /nfs/dbraw/zinc/05/04/27/1013050427.db2.gz VOWNXXOFIWXMHT-UHFFFAOYSA-N 1 0 308.342 0.273 20 5 DCBDRO COc1ccc(C[C@H](C)N[C@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001246307458 945381370 /nfs/dbraw/zinc/38/13/70/945381370.db2.gz MTDSEGLOQVLBQA-SUHUHFCYSA-N 1 0 309.366 0.704 20 5 DCBDRO COC(=O)[C@@H]1CN([C@H](C)Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001246933237 945522364 /nfs/dbraw/zinc/52/23/64/945522364.db2.gz RFXKJIVFESZYRN-RTXFEEFZSA-N 1 0 307.350 0.958 20 5 DCBDRO C[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]C[C@@H]1O ZINC001247825445 945576140 /nfs/dbraw/zinc/57/61/40/945576140.db2.gz BEZANGYFXZDNQL-TVQRCGJNSA-N 1 0 323.284 0.791 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2(O)CC[NH2+]CC2)n1 ZINC001247986147 945586760 /nfs/dbraw/zinc/58/67/60/945586760.db2.gz SZRNVAWJORPCQL-UHFFFAOYSA-N 1 0 309.257 0.750 20 5 DCBDRO CN1CC[NH+](CCCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC001319596418 945629290 /nfs/dbraw/zinc/62/92/90/945629290.db2.gz KFAWJXOJSAPWMP-UHFFFAOYSA-N 1 0 310.358 0.075 20 5 DCBDRO O=C(NCC1([NH2+]CC2CCC2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001278707759 946100926 /nfs/dbraw/zinc/10/09/26/946100926.db2.gz TXCKMGNOAUKNTI-CHWSQXEVSA-N 1 0 311.382 0.707 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC001321173820 946200460 /nfs/dbraw/zinc/20/04/60/946200460.db2.gz CJMDEKXWCJSJHO-UHFFFAOYSA-N 1 0 310.379 0.728 20 5 DCBDRO CCOC(=O)CNC(=O)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581142 946412664 /nfs/dbraw/zinc/41/26/64/946412664.db2.gz IVMNLOHZQFNXPN-LBPRGKRZSA-N 1 0 321.333 0.331 20 5 DCBDRO C[C@H](NC(=O)[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254588340 946413314 /nfs/dbraw/zinc/41/33/14/946413314.db2.gz DLTVIOAUDZPTMQ-AUTRQRHGSA-N 1 0 320.349 0.030 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC001323234811 946989487 /nfs/dbraw/zinc/98/94/87/946989487.db2.gz RZMDFBKJXMQKDK-UHFFFAOYSA-N 1 0 324.385 0.038 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001324658171 947494594 /nfs/dbraw/zinc/49/45/94/947494594.db2.gz HDMXCIFKFDDNNK-UHFFFAOYSA-N 1 0 311.342 0.169 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC001325319420 947754144 /nfs/dbraw/zinc/75/41/44/947754144.db2.gz NUCOOTMFIAPCAY-SNVBAGLBSA-N 1 0 308.338 0.956 20 5 DCBDRO Cc1ccnc(N(C)CCNC(=O)Cc2ncc[nH]2)c1[N+](=O)[O-] ZINC001263681142 948733833 /nfs/dbraw/zinc/73/38/33/948733833.db2.gz YXSNNLDBNFLVAX-UHFFFAOYSA-N 1 0 318.337 0.816 20 5 DCBDRO [NH3+]C1(CNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001328353315 948846227 /nfs/dbraw/zinc/84/62/27/948846227.db2.gz IUPKBVDBJFDMTQ-UHFFFAOYSA-N 1 0 320.349 0.599 20 5 DCBDRO Cc1noc(C[NH2+][C@@H](CC(N)=O)C2CCOCC2)c1[N+](=O)[O-] ZINC001330559165 950508126 /nfs/dbraw/zinc/50/81/26/950508126.db2.gz LVSIAZNRQVCYNA-JTQLQIEISA-N 1 0 312.326 0.651 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001330578328 950521511 /nfs/dbraw/zinc/52/15/11/950521511.db2.gz QUJKUXIIRQXCDW-HAQNSBGRSA-N 1 0 320.349 0.455 20 5 DCBDRO O=C(C[C@@H]1CC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001332450113 951650316 /nfs/dbraw/zinc/65/03/16/951650316.db2.gz LOYOFEFBSVWNFG-NSHDSACASA-N 1 0 307.354 0.954 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001333202528 951956915 /nfs/dbraw/zinc/95/69/15/951956915.db2.gz FPNVTJKAECVHGG-LBPRGKRZSA-N 1 0 307.354 0.796 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001334111427 952241603 /nfs/dbraw/zinc/24/16/03/952241603.db2.gz QJRLDPISKOIETQ-NEPJUHHUSA-N 1 0 307.354 0.843 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001334938029 952416141 /nfs/dbraw/zinc/41/61/41/952416141.db2.gz XYEPREWLDZZVIJ-ZYHUDNBSSA-N 1 0 320.349 0.355 20 5 DCBDRO C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC001335368681 952526442 /nfs/dbraw/zinc/52/64/42/952526442.db2.gz RRZULZFRBWZXNU-BBRMVZONSA-N 1 0 322.409 0.854 20 5 DCBDRO O=C(CC[NH2+]CCn1ccnn1)Nc1ccccc1[N+](=O)[O-] ZINC001336702177 952755673 /nfs/dbraw/zinc/75/56/73/952755673.db2.gz BWHXOIWXJKYCQI-UHFFFAOYSA-N 1 0 304.310 0.805 20 5 DCBDRO COCC[N@H+]1[C@H](C)CN(c2nnc(C[N+](=O)[O-])n2C)C[C@@H]1C ZINC001338060212 952956934 /nfs/dbraw/zinc/95/69/34/952956934.db2.gz QRNAPBNJPCGGMB-PHIMTYICSA-N 1 0 312.374 0.137 20 5 DCBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CC[NH2+]C[C@@H]1CO ZINC001340848905 953199011 /nfs/dbraw/zinc/19/90/11/953199011.db2.gz SOOWUBNQSQWFKH-LLVKDONJSA-N 1 0 311.363 0.480 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC001341493718 953234201 /nfs/dbraw/zinc/23/42/01/953234201.db2.gz SCHPXHHTGJQFPC-CJNGLKHVSA-N 1 0 319.361 0.880 20 5 DCBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001341622944 953241479 /nfs/dbraw/zinc/24/14/79/953241479.db2.gz JEQRBTGUQKCREV-VXGBXAGGSA-N 1 0 324.385 0.232 20 5 DCBDRO COc1cc(OCC(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001342130311 953272002 /nfs/dbraw/zinc/27/20/02/953272002.db2.gz RQIOXGIJMVUCNJ-HBYGRHMLSA-N 1 0 321.333 0.658 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342331150 953284405 /nfs/dbraw/zinc/28/44/05/953284405.db2.gz IDPHVDCNFYCIAW-ZDUSSCGKSA-N 1 0 307.350 0.710 20 5 DCBDRO COc1cc(C(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])cc1OC ZINC001343574019 953355016 /nfs/dbraw/zinc/35/50/16/953355016.db2.gz GNMDXPGPSBWWBP-MSRIBSCDSA-N 1 0 321.333 0.902 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC001347429275 954092037 /nfs/dbraw/zinc/09/20/37/954092037.db2.gz OZFCAXAAPZNNNO-AWEZNQCLSA-N 1 0 311.313 0.873 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001347539228 954114188 /nfs/dbraw/zinc/11/41/88/954114188.db2.gz IRQPDHOSIDLTPY-FRRDWIJNSA-N 1 0 321.381 0.946 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC001348973505 954551515 /nfs/dbraw/zinc/55/15/15/954551515.db2.gz SCZVUJJTFIYHMF-MWLCHTKSSA-N 1 0 306.326 0.022 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001353285179 956005392 /nfs/dbraw/zinc/00/53/92/956005392.db2.gz KHAVWVMNYRTPNA-GARJFASQSA-N 1 0 307.354 0.707 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC001353316079 956015727 /nfs/dbraw/zinc/01/57/27/956015727.db2.gz MGUGECZBKXOADT-VBNZEHGJSA-N 1 0 322.409 0.852 20 5 DCBDRO C[C@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](O)C[NH2+]1 ZINC001353327392 956020976 /nfs/dbraw/zinc/02/09/76/956020976.db2.gz YMGAQEHJGYDIGQ-DZGCQCFKSA-N 1 0 305.334 0.592 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC001357474615 957295561 /nfs/dbraw/zinc/29/55/61/957295561.db2.gz PGOJXFINEQDUTO-QWHCGFSZSA-N 1 0 321.381 0.948 20 5 DCBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001358118269 957426787 /nfs/dbraw/zinc/42/67/87/957426787.db2.gz DPCSRFAZRHEETB-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO O=C1CC2(CN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2)NCCN1 ZINC001307177252 960141231 /nfs/dbraw/zinc/14/12/31/960141231.db2.gz PFEWFJTYHJSLRQ-UHFFFAOYSA-N 1 0 321.293 0.171 20 5 DCBDRO COC(=O)[C@@]1(O)CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001308032680 960164212 /nfs/dbraw/zinc/16/42/12/960164212.db2.gz HIFGVGVTHPQJSR-CQSZACIVSA-N 1 0 310.306 0.713 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC001308127256 960167747 /nfs/dbraw/zinc/16/77/47/960167747.db2.gz VSJZMVHJXMLWGQ-UHFFFAOYSA-N 1 0 309.326 0.674 20 5 DCBDRO C[C@H](COC(=O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC001526555272 1015300618 /nfs/dbraw/zinc/30/06/18/1015300618.db2.gz OKTZHDCMMZBWKZ-NSHDSACASA-N 1 0 312.326 0.303 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC001468187460 1016232278 /nfs/dbraw/zinc/23/22/78/1016232278.db2.gz VQYYCNPONJWUMN-CQSZACIVSA-N 1 0 322.365 0.503 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC001473566992 1016949174 /nfs/dbraw/zinc/94/91/74/1016949174.db2.gz GXXADUFHMAOWAH-CHWSQXEVSA-N 1 0 310.354 0.532 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001473892990 1016987089 /nfs/dbraw/zinc/98/70/89/1016987089.db2.gz MSVTYSVNFNKHDC-VNHYZAJKSA-N 1 0 310.350 0.551 20 5 DCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001435967793 1006093144 /nfs/dbraw/zinc/09/31/44/1006093144.db2.gz LXCCKYNZXPXVNT-CYBMUJFWSA-N 1 0 314.430 0.964 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+](C)CCO ZINC001455783451 1009967677 /nfs/dbraw/zinc/96/76/77/1009967677.db2.gz UJGFHSGQLDNMKG-UHFFFAOYSA-N 1 0 311.338 0.647 20 5 DCBDRO COCCN(CC1CC[NH+](C)CC1)c1ncc([N+](=O)[O-])c(N)n1 ZINC001458530313 1012207415 /nfs/dbraw/zinc/20/74/15/1012207415.db2.gz SNUFIRCMIUJRQH-UHFFFAOYSA-N 1 0 324.385 0.762 20 5 DCBDRO COC(=O)c1cnc(NC[C@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001458563164 1012218329 /nfs/dbraw/zinc/21/83/29/1012218329.db2.gz JQUVADJNOFZUFN-VIFPVBQESA-N 1 0 312.351 0.893 20 5 DCBDRO C[NH+](C)CCn1cc(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)cn1 ZINC001557237635 1012269538 /nfs/dbraw/zinc/26/95/38/1012269538.db2.gz YJBLDSOAZZXJMD-UHFFFAOYSA-N 1 0 319.325 0.582 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC001557695457 1012288229 /nfs/dbraw/zinc/28/82/29/1012288229.db2.gz UFMJNDSSJSFKMG-UHFFFAOYSA-N 1 0 314.317 0.312 20 5 DCBDRO CCO[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)C[NH+](C)C ZINC001558264931 1012340847 /nfs/dbraw/zinc/34/08/47/1012340847.db2.gz FHPFSBUSTRBCIM-SNVBAGLBSA-N 1 0 310.354 0.874 20 5 DCBDRO Nc1nc(N2CC[NH2+][C@H](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC001559266263 1012413093 /nfs/dbraw/zinc/41/30/93/1012413093.db2.gz VBZYSFXVGVLWQT-GFCCVEGCSA-N 1 0 314.349 0.988 20 5 DCBDRO Cc1cc(S(=O)(=O)NCCN(C)CCO)ccc1[N+](=O)[O-] ZINC001561914564 1012478997 /nfs/dbraw/zinc/47/89/97/1012478997.db2.gz NFKHGXZJOHLMOG-UHFFFAOYSA-N 1 0 317.367 0.106 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC001461312873 1013017557 /nfs/dbraw/zinc/01/75/57/1013017557.db2.gz IWEFGIRESBTTMM-UHFFFAOYSA-N 1 0 317.353 0.971 20 5 DCBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@H]([NH2+]CCO)C1 ZINC001522229837 1017468048 /nfs/dbraw/zinc/46/80/48/1017468048.db2.gz DUEKDXUNAPOZAR-JTQLQIEISA-N 1 0 311.313 0.920 20 5 DCBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc[nH]n1 ZINC001497468829 1018155052 /nfs/dbraw/zinc/15/50/52/1018155052.db2.gz SIYHJZRVHISILO-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415404245 529994804 /nfs/dbraw/zinc/99/48/04/529994804.db2.gz BCVNIKDDBDNEIE-VIFPVBQESA-N 1 0 308.338 0.813 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000172587299 198118827 /nfs/dbraw/zinc/11/88/27/198118827.db2.gz BNKPODADKJWFDU-LBPRGKRZSA-N 1 0 307.354 0.736 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@H](OCCO)C1 ZINC000179215024 199000058 /nfs/dbraw/zinc/00/00/58/199000058.db2.gz CISKMQLAVQGWJN-ZDUSSCGKSA-N 1 0 311.338 0.230 20 5 DCBDRO [NH3+]CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000160038664 237082713 /nfs/dbraw/zinc/08/27/13/237082713.db2.gz BBOUEAASZFACHP-SECBINFHSA-N 1 0 310.310 0.257 20 5 DCBDRO [NH3+]C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Br)CCO1 ZINC000165885243 283488245 /nfs/dbraw/zinc/48/82/45/283488245.db2.gz XVHZTEWQGFVHDQ-MRVPVSSYSA-N 1 0 317.143 0.916 20 5 DCBDRO CC(=O)NC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000159779818 291236536 /nfs/dbraw/zinc/23/65/36/291236536.db2.gz AJMNZEWNAXKGDK-CYBMUJFWSA-N 1 0 322.365 0.605 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(c3c4c(ccc3[N+](=O)[O-])NCC4)CCN2C1=O ZINC000566630126 291316131 /nfs/dbraw/zinc/31/61/31/291316131.db2.gz OOJIAYFSHLMCLA-GXSJLCMTSA-N 1 0 317.349 0.311 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420330181 240021048 /nfs/dbraw/zinc/02/10/48/240021048.db2.gz AIOHCECFMRKNNM-MFKMUULPSA-N 1 0 320.349 0.836 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000420435034 240028764 /nfs/dbraw/zinc/02/87/64/240028764.db2.gz LQMRCQZYQCDASH-CMPLNLGQSA-N 1 0 313.379 0.746 20 5 DCBDRO COC(=O)c1cc(C(=O)NC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423545517 240204038 /nfs/dbraw/zinc/20/40/38/240204038.db2.gz CVAVFMSNKYTIHP-VIFPVBQESA-N 1 0 307.306 0.721 20 5 DCBDRO COc1ccc(NC(=O)CN2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430951421 240412511 /nfs/dbraw/zinc/41/25/11/240412511.db2.gz LHGSWFTXOJAWRL-SNVBAGLBSA-N 1 0 308.338 0.823 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cnn3ccccc23)c1 ZINC000570039354 291508742 /nfs/dbraw/zinc/50/87/42/291508742.db2.gz SAZIJDHTXWRDOQ-CYBMUJFWSA-N 1 0 316.321 0.590 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264816776 204178942 /nfs/dbraw/zinc/17/89/42/204178942.db2.gz ZAEXKQCKSUMOII-CYBMUJFWSA-N 1 0 306.366 0.879 20 5 DCBDRO C[C@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000265049710 204365677 /nfs/dbraw/zinc/36/56/77/204365677.db2.gz BGIGAWGJBDYTNI-LLVKDONJSA-N 1 0 321.381 0.543 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc2c[nH+]cn2c1 ZINC000339959929 253169387 /nfs/dbraw/zinc/16/93/87/253169387.db2.gz PNBCCOHQUFLVPV-UHFFFAOYSA-N 1 0 300.278 0.869 20 5 DCBDRO C[NH+](C)CCCNC(=O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000340550700 253274510 /nfs/dbraw/zinc/27/45/10/253274510.db2.gz NSXZKDVVFCSZDZ-UHFFFAOYSA-N 1 0 316.745 0.478 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000340779071 253302567 /nfs/dbraw/zinc/30/25/67/253302567.db2.gz MGOMRIAAFYNXCP-JTQLQIEISA-N 1 0 323.396 0.836 20 5 DCBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCN3CCOCC3)C2)nc1 ZINC000340694068 253292369 /nfs/dbraw/zinc/29/23/69/253292369.db2.gz AGEUUBOTLOTSLK-ZDUSSCGKSA-N 1 0 321.381 0.808 20 5 DCBDRO CC(=O)NCC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000341596487 253399280 /nfs/dbraw/zinc/39/92/80/253399280.db2.gz FVOJLGIGOMBFOH-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000344899195 253848027 /nfs/dbraw/zinc/84/80/27/253848027.db2.gz OJUDIKBBFAKARP-SECBINFHSA-N 1 0 317.367 0.832 20 5 DCBDRO C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346222616 254024608 /nfs/dbraw/zinc/02/46/08/254024608.db2.gz LYWGLFPVBTUANX-GHMZBOCLSA-N 1 0 322.365 0.779 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000346801706 254096839 /nfs/dbraw/zinc/09/68/39/254096839.db2.gz YLJCGVKAPMXMLR-WCBMZHEXSA-N 1 0 320.309 0.914 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000347625012 254173258 /nfs/dbraw/zinc/17/32/58/254173258.db2.gz QFCCCZPDRMFVRG-SSDOTTSWSA-N 1 0 312.351 0.249 20 5 DCBDRO COC(=O)c1cc(NC(=O)CCOC2C[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000348997380 254268779 /nfs/dbraw/zinc/26/87/79/254268779.db2.gz YNZGCBLULWWXSM-UHFFFAOYSA-N 1 0 323.305 0.698 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000271813120 285189939 /nfs/dbraw/zinc/18/99/39/285189939.db2.gz UPQCHBFZXDQLSB-LSDHHAIUSA-N 1 0 320.349 0.866 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000285655465 131190869 /nfs/dbraw/zinc/19/08/69/131190869.db2.gz GFKGCGYFGXJKLS-NEPJUHHUSA-N 1 0 323.353 0.031 20 5 DCBDRO C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000022999088 395692165 /nfs/dbraw/zinc/69/21/65/395692165.db2.gz MBYMKPDOQPFYJI-UHFFFAOYSA-N 1 0 320.349 0.991 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000111665628 395811127 /nfs/dbraw/zinc/81/11/27/395811127.db2.gz XVOWEFANSLZOAR-UHFFFAOYSA-N 1 0 306.366 0.914 20 5 DCBDRO CN(CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000195227738 395821530 /nfs/dbraw/zinc/82/15/30/395821530.db2.gz QNKKBPVDSYDUST-TXEJJXNPSA-N 1 0 304.350 0.709 20 5 DCBDRO COc1cc(OCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000195239419 395822408 /nfs/dbraw/zinc/82/24/08/395822408.db2.gz NYXFXNUHBUNJEC-PHIMTYICSA-N 1 0 321.333 0.660 20 5 DCBDRO CCOc1ccc(NC(=O)CN2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000114470699 395834670 /nfs/dbraw/zinc/83/46/70/395834670.db2.gz ZXPUWUDDOGQZAU-JTQLQIEISA-N 1 0 309.322 0.999 20 5 DCBDRO CCCCC[N@@H+](CC(N)=O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272480761 395894325 /nfs/dbraw/zinc/89/43/25/395894325.db2.gz BAPAUEZUQBPCRY-GFCCVEGCSA-N 1 0 313.358 0.130 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000054267173 395896804 /nfs/dbraw/zinc/89/68/04/395896804.db2.gz BFWBEJFYDLIYEY-UHFFFAOYSA-N 1 0 315.351 0.634 20 5 DCBDRO COCC[NH2+]CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237165749 395905607 /nfs/dbraw/zinc/90/56/07/395905607.db2.gz PZAKEBCTZXPAQW-LLVKDONJSA-N 1 0 323.353 0.239 20 5 DCBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000132370724 395926758 /nfs/dbraw/zinc/92/67/58/395926758.db2.gz VQCMFNHWGLIVJB-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000061634827 395969888 /nfs/dbraw/zinc/96/98/88/395969888.db2.gz KYMGFEONMTZYLU-UHFFFAOYSA-N 1 0 321.341 0.497 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000274814056 395978294 /nfs/dbraw/zinc/97/82/94/395978294.db2.gz REYLHLUZBDRYEA-LLVKDONJSA-N 1 0 311.363 0.873 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000063724239 395980776 /nfs/dbraw/zinc/98/07/76/395980776.db2.gz RALILOAZHUGTPQ-UHFFFAOYSA-N 1 0 320.349 0.441 20 5 DCBDRO CO[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261854515 396072719 /nfs/dbraw/zinc/07/27/19/396072719.db2.gz JSKIKQAKDDTDHC-CHWSQXEVSA-N 1 0 322.365 0.632 20 5 DCBDRO CC(C)(O)C[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000159176240 396066393 /nfs/dbraw/zinc/06/63/93/396066393.db2.gz MFEVIRPHXWHRDQ-UHFFFAOYSA-N 1 0 320.353 0.530 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3C[C@@H](O)[C@H](O)C3)o2)c1 ZINC000278543576 396130231 /nfs/dbraw/zinc/13/02/31/396130231.db2.gz AKRARCMHEITYBU-CHWSQXEVSA-N 1 0 319.317 0.830 20 5 DCBDRO C[NH2+]CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262505804 396148748 /nfs/dbraw/zinc/14/87/48/396148748.db2.gz JCRMTYSZXOXCNE-UHFFFAOYSA-N 1 0 320.349 0.489 20 5 DCBDRO C[C@@H]1CCSCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279322883 396166161 /nfs/dbraw/zinc/16/61/61/396166161.db2.gz SMEUYUPFPFISEH-ZYHUDNBSSA-N 1 0 300.384 0.980 20 5 DCBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000177604015 396179761 /nfs/dbraw/zinc/17/97/61/396179761.db2.gz AJQISLFDVUVDTD-RYUDHWBXSA-N 1 0 322.365 0.746 20 5 DCBDRO CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000264616965 396296035 /nfs/dbraw/zinc/29/60/35/396296035.db2.gz POGIXVNZNZZDTJ-VIFPVBQESA-N 1 0 311.342 0.331 20 5 DCBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269146260 396389168 /nfs/dbraw/zinc/38/91/68/396389168.db2.gz IAYCTPNYJKGPSY-VIFPVBQESA-N 1 0 307.306 0.848 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269198492 396393915 /nfs/dbraw/zinc/39/39/15/396393915.db2.gz JQBGLAQDTUKQAI-JTQLQIEISA-N 1 0 308.338 0.520 20 5 DCBDRO COc1ccc(CNC(=O)C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000269244044 396398953 /nfs/dbraw/zinc/39/89/53/396398953.db2.gz JQOVVMTVIMXFGZ-LLVKDONJSA-N 1 0 309.322 0.598 20 5 DCBDRO C[C@@H]([NH3+])Cn1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594655028 396494930 /nfs/dbraw/zinc/49/49/30/396494930.db2.gz HMJFCKNZYIKIDF-SECBINFHSA-N 1 0 319.325 0.855 20 5 DCBDRO C[C@@H](CNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C[NH+](C)C ZINC000291867307 396516804 /nfs/dbraw/zinc/51/68/04/396516804.db2.gz NHZZQXIRMZBAKD-VIFPVBQESA-N 1 0 316.383 0.852 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595298495 396582228 /nfs/dbraw/zinc/58/22/28/396582228.db2.gz PVJTXJQVQFQKAE-UHFFFAOYSA-N 1 0 324.356 0.940 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000581250246 396538147 /nfs/dbraw/zinc/53/81/47/396538147.db2.gz FEZUDUWKWLJVDN-ZJUUUORDSA-N 1 0 314.367 0.738 20 5 DCBDRO C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000595102350 396548547 /nfs/dbraw/zinc/54/85/47/396548547.db2.gz KLKRVXHSYXLWMG-VIFPVBQESA-N 1 0 314.367 0.738 20 5 DCBDRO CC[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000595108494 396549398 /nfs/dbraw/zinc/54/93/98/396549398.db2.gz PWMSNJUWTVGSGT-MWLCHTKSSA-N 1 0 314.367 0.738 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C[NH2+]1 ZINC000595108945 396550128 /nfs/dbraw/zinc/55/01/28/396550128.db2.gz RITIKQYELXQTLZ-BDAKNGLRSA-N 1 0 300.340 0.361 20 5 DCBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000595122519 396553301 /nfs/dbraw/zinc/55/33/01/396553301.db2.gz VGPOSMJXOWGJKE-QMMMGPOBSA-N 1 0 303.340 0.490 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000595243703 396568868 /nfs/dbraw/zinc/56/88/68/396568868.db2.gz GQYXPFUGBOQCLM-VIFPVBQESA-N 1 0 308.338 0.820 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000595282519 396579326 /nfs/dbraw/zinc/57/93/26/396579326.db2.gz PXRNNTWXQVUSNX-VIFPVBQESA-N 1 0 308.338 0.244 20 5 DCBDRO C[NH+](C)CCn1nccc1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000293941523 396643550 /nfs/dbraw/zinc/64/35/50/396643550.db2.gz CSIRHQPPNKRIJK-UHFFFAOYSA-N 1 0 321.341 0.578 20 5 DCBDRO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000374017917 396632170 /nfs/dbraw/zinc/63/21/70/396632170.db2.gz KRHUYZIHWRBNJY-CHWSQXEVSA-N 1 0 311.382 0.803 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)[C@H]2C1 ZINC000293787077 396633204 /nfs/dbraw/zinc/63/32/04/396633204.db2.gz CHDSFMUKGAALAX-WDEREUQCSA-N 1 0 309.326 0.253 20 5 DCBDRO CNc1ccc(C(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000562633461 396672155 /nfs/dbraw/zinc/67/21/55/396672155.db2.gz BPPKEFNJAVMVAM-UHFFFAOYSA-N 1 0 322.365 0.823 20 5 DCBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595902312 396679072 /nfs/dbraw/zinc/67/90/72/396679072.db2.gz KNRMANUAXLJEHY-TUAOUCFPSA-N 1 0 312.326 0.084 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860073 396695621 /nfs/dbraw/zinc/69/56/21/396695621.db2.gz CIPDAIOHXNHRRZ-MNOVXSKESA-N 1 0 320.349 0.458 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588862532 396695630 /nfs/dbraw/zinc/69/56/30/396695630.db2.gz DGFCYAILJCNCAJ-HUUCEWRRSA-N 1 0 319.361 0.805 20 5 DCBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863627 396695910 /nfs/dbraw/zinc/69/59/10/396695910.db2.gz RXSIZFFWKQIXIM-RYUDHWBXSA-N 1 0 305.334 0.876 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000588863785 396696635 /nfs/dbraw/zinc/69/66/35/396696635.db2.gz OLPVMXYGYWRWFN-VIFPVBQESA-N 1 0 306.322 0.728 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000595984585 396703127 /nfs/dbraw/zinc/70/31/27/396703127.db2.gz WCIVTCQHHNKETA-ZJUUUORDSA-N 1 0 308.338 0.437 20 5 DCBDRO COc1cc(OCC(=O)N[C@@]2(C)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000595992120 396704723 /nfs/dbraw/zinc/70/47/23/396704723.db2.gz OFALESPGJLRTKT-AWEZNQCLSA-N 1 0 309.322 0.850 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+](C)C ZINC000590548416 396792639 /nfs/dbraw/zinc/79/26/39/396792639.db2.gz CYQVRIQCQPHKAJ-JTQLQIEISA-N 1 0 311.338 0.646 20 5 DCBDRO [NH3+]C1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000316326239 396794069 /nfs/dbraw/zinc/79/40/69/396794069.db2.gz FCJKGMZOWOXGNN-UHFFFAOYSA-N 1 0 305.338 0.520 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000563619793 396761726 /nfs/dbraw/zinc/76/17/26/396761726.db2.gz VBQZECZRIXZWGU-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO COc1cc(C(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000313350345 396769112 /nfs/dbraw/zinc/76/91/12/396769112.db2.gz MMFJVCPRXJNHGD-NSHDSACASA-N 1 0 309.322 0.793 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC3(CCOC3)CC2)c1 ZINC000611178197 396831089 /nfs/dbraw/zinc/83/10/89/396831089.db2.gz RMYZDOODUMNWPE-CYBMUJFWSA-N 1 0 310.354 0.655 20 5 DCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000611201374 396834137 /nfs/dbraw/zinc/83/41/37/396834137.db2.gz NEVMWVQBUHHXEX-AWEZNQCLSA-N 1 0 304.350 0.601 20 5 DCBDRO COc1cc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000317566189 396803014 /nfs/dbraw/zinc/80/30/14/396803014.db2.gz FUXIUKDHMPJDQJ-ZANVPECISA-N 1 0 309.322 0.792 20 5 DCBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600536736 396887020 /nfs/dbraw/zinc/88/70/20/396887020.db2.gz WIKICUAECXJZJG-LLVKDONJSA-N 1 0 309.322 0.400 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000591294682 396896660 /nfs/dbraw/zinc/89/66/60/396896660.db2.gz HLWBDHWNQNGJDJ-UHFFFAOYSA-N 1 0 306.322 0.710 20 5 DCBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000376441264 396930711 /nfs/dbraw/zinc/93/07/11/396930711.db2.gz KVFZIXWKKITJAZ-DGCLKSJQSA-N 1 0 307.354 0.877 20 5 DCBDRO COCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000571538138 396962836 /nfs/dbraw/zinc/96/28/36/396962836.db2.gz PKPVUULAJREDGL-JTQLQIEISA-N 1 0 319.745 0.349 20 5 DCBDRO O=C1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)N1 ZINC000591763755 396998498 /nfs/dbraw/zinc/99/84/98/396998498.db2.gz HMCSXRUTYHHXHQ-AAEUAGOBSA-N 1 0 323.349 0.593 20 5 DCBDRO C[NH+](C)CC1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000597707234 397071342 /nfs/dbraw/zinc/07/13/42/397071342.db2.gz ALOWRHFFNUMHFQ-UHFFFAOYSA-N 1 0 307.306 0.957 20 5 DCBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000601348623 397072550 /nfs/dbraw/zinc/07/25/50/397072550.db2.gz VVVFHHQBUXBYIN-TXEJJXNPSA-N 1 0 311.363 0.861 20 5 DCBDRO COc1ccc(CC(=O)N[C@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000597654515 397046553 /nfs/dbraw/zinc/04/65/53/397046553.db2.gz SFLDSXWFCTZACH-NSHDSACASA-N 1 0 311.338 0.185 20 5 DCBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000597679495 397059215 /nfs/dbraw/zinc/05/92/15/397059215.db2.gz YQNHDJBIXABLOL-JTQLQIEISA-N 1 0 323.353 0.643 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000573000110 397123265 /nfs/dbraw/zinc/12/32/65/397123265.db2.gz NROMUKVDTIIJIB-SNVBAGLBSA-N 1 0 319.321 0.661 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141175 397140280 /nfs/dbraw/zinc/14/02/80/397140280.db2.gz UXEKBWWKKLEVCX-RYUDHWBXSA-N 1 0 319.321 0.371 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000592297067 397144200 /nfs/dbraw/zinc/14/42/00/397144200.db2.gz FMCRNXJCECTJMQ-GFCCVEGCSA-N 1 0 320.349 0.453 20 5 DCBDRO COc1cccc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308906 397149680 /nfs/dbraw/zinc/14/96/80/397149680.db2.gz OUQDJLYBBYHFAM-CABZTGNLSA-N 1 0 309.322 0.792 20 5 DCBDRO CN(C)[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000573282346 397152703 /nfs/dbraw/zinc/15/27/03/397152703.db2.gz BQRLNMOQPLBMGJ-CHWSQXEVSA-N 1 0 323.353 0.638 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475148 397186878 /nfs/dbraw/zinc/18/68/78/397186878.db2.gz VTQIHRKJAAGMOB-MJVIPROJSA-N 1 0 322.365 0.970 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000592489756 397190425 /nfs/dbraw/zinc/19/04/25/397190425.db2.gz VACIRWJGVLJXFV-CYBMUJFWSA-N 1 0 323.349 0.811 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000592489789 397190612 /nfs/dbraw/zinc/19/06/12/397190612.db2.gz VXBAJAYQBARVHL-CQSZACIVSA-N 1 0 307.350 0.974 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592557618 397214553 /nfs/dbraw/zinc/21/45/53/397214553.db2.gz LJKVPYWXXBRYCL-MNOVXSKESA-N 1 0 308.342 0.034 20 5 DCBDRO CCCc1n[nH]c(C(=O)NC[C@H]2C[NH2+]CCCO2)c1[N+](=O)[O-] ZINC000574398921 397264981 /nfs/dbraw/zinc/26/49/81/397264981.db2.gz PJXIIICSMUIIKI-SECBINFHSA-N 1 0 311.342 0.379 20 5 DCBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 ZINC000598668576 397272106 /nfs/dbraw/zinc/27/21/06/397272106.db2.gz ADGFSBQUAOCNJA-YGRLFVJLSA-N 1 0 306.322 0.096 20 5 DCBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 ZINC000598668575 397272350 /nfs/dbraw/zinc/27/23/50/397272350.db2.gz ADGFSBQUAOCNJA-QMTHXVAHSA-N 1 0 306.322 0.096 20 5 DCBDRO C[C@]1(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000598668433 397272675 /nfs/dbraw/zinc/27/26/75/397272675.db2.gz OZFJZRWWNOSJJA-AWEZNQCLSA-N 1 0 321.337 0.585 20 5 DCBDRO CO[C@@H](C[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000391112897 397304740 /nfs/dbraw/zinc/30/47/40/397304740.db2.gz VCHVVUNJKFVEGV-GFCCVEGCSA-N 1 0 323.353 0.002 20 5 DCBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602588791 397444453 /nfs/dbraw/zinc/44/44/53/397444453.db2.gz QNJMDOGAKIXJIR-GWCFXTLKSA-N 1 0 313.317 0.967 20 5 DCBDRO CS(=O)(=O)N1CC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602622679 397451904 /nfs/dbraw/zinc/45/19/04/397451904.db2.gz CFTLLGLNEZFKDJ-UHFFFAOYSA-N 1 0 313.379 0.618 20 5 DCBDRO CCOc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000578642196 397464480 /nfs/dbraw/zinc/46/44/80/397464480.db2.gz WJNHSUZEUGHZDG-STQMWFEESA-N 1 0 323.349 0.740 20 5 DCBDRO COC(=O)[C@H]1C[C@H](OC)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000370342675 397472014 /nfs/dbraw/zinc/47/20/14/397472014.db2.gz LFMUUJPVIMYWPC-VXGBXAGGSA-N 1 0 312.326 0.444 20 5 DCBDRO COc1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599605522 397485756 /nfs/dbraw/zinc/48/57/56/397485756.db2.gz YROPMTMAJGIPMD-SNVBAGLBSA-N 1 0 310.310 0.713 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CCC2CC[NH2+]CC2)c1 ZINC000579106282 397523316 /nfs/dbraw/zinc/52/33/16/397523316.db2.gz SGUSCPQTZFLFSH-UHFFFAOYSA-N 1 0 309.322 0.933 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000594359146 397533511 /nfs/dbraw/zinc/53/35/11/397533511.db2.gz PBBGHPFUIXMGAS-KBPBESRZSA-N 1 0 318.333 0.823 20 5 DCBDRO CN(CCCC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000610112068 397803706 /nfs/dbraw/zinc/80/37/06/397803706.db2.gz UJSCCVGOFFALIO-UHFFFAOYSA-N 1 0 310.354 0.557 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000171136164 158381126 /nfs/dbraw/zinc/38/11/26/158381126.db2.gz WSYXLHDTPLLHAE-LLVKDONJSA-N 1 0 321.381 0.664 20 5 DCBDRO O=C(C[C@H]1COCC[NH2+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000262031618 158765971 /nfs/dbraw/zinc/76/59/71/158765971.db2.gz FCOJMEQOLBFNJU-LBPRGKRZSA-N 1 0 308.338 0.501 20 5 DCBDRO NC(=O)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308141 159329997 /nfs/dbraw/zinc/32/99/97/159329997.db2.gz NIGKXEAYXUPCPF-YPMHNXCESA-N 1 0 323.349 0.532 20 5 DCBDRO O=C1[C@H]([N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368333704 159388242 /nfs/dbraw/zinc/38/82/42/159388242.db2.gz URGGPPFAKNAEKD-CBBWQLFWSA-N 1 0 317.345 0.870 20 5 DCBDRO CC[NH2+]Cc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000123017131 286959439 /nfs/dbraw/zinc/95/94/39/286959439.db2.gz KWGCHEDHAXDTLZ-UHFFFAOYSA-N 1 0 304.310 0.935 20 5 DCBDRO COC(=O)[C@@H](O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000135342723 287021583 /nfs/dbraw/zinc/02/15/83/287021583.db2.gz NLYJOMWUTNYHJK-LBPRGKRZSA-N 1 0 312.326 0.037 20 5 DCBDRO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[N@H+](C)C1CC1 ZINC000151306980 287033026 /nfs/dbraw/zinc/03/30/26/287033026.db2.gz TUSHALAEFWIXPS-JTQLQIEISA-N 1 0 310.358 0.573 20 5 DCBDRO CCOC(=O)C[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248438947 287096817 /nfs/dbraw/zinc/09/68/17/287096817.db2.gz CEHMNFUVSGWBCT-ZYHUDNBSSA-N 1 0 314.342 0.426 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000354173863 287167066 /nfs/dbraw/zinc/16/70/66/287167066.db2.gz NAXDIZKOSIELAT-UHFFFAOYSA-N 1 0 308.338 0.774 20 5 DCBDRO COCC[NH2+]CCNC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000418511832 287249229 /nfs/dbraw/zinc/24/92/29/287249229.db2.gz RZTVHTNIPUTAPY-UHFFFAOYSA-N 1 0 310.354 0.972 20 5 DCBDRO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420385727 287294661 /nfs/dbraw/zinc/29/46/61/287294661.db2.gz HWQPNFGPLQDRQR-GFCCVEGCSA-N 1 0 322.365 0.973 20 5 DCBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164721 415274379 /nfs/dbraw/zinc/27/43/79/415274379.db2.gz WPCJYGVEHOGCHY-NFAWXSAZSA-N 1 0 323.397 0.711 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)CC1 ZINC000332161055 415276741 /nfs/dbraw/zinc/27/67/41/415276741.db2.gz VMUYZPHOKYECFJ-LLVKDONJSA-N 1 0 322.369 0.170 20 5 DCBDRO CC(C)([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422879091 287300869 /nfs/dbraw/zinc/30/08/69/287300869.db2.gz KFTLBHUECTXBKQ-UHFFFAOYSA-N 1 0 322.365 0.899 20 5 DCBDRO C[NH+](C)Cc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000342923217 415360139 /nfs/dbraw/zinc/36/01/39/415360139.db2.gz FJPOSPPXQJCFFH-UHFFFAOYSA-N 1 0 318.337 0.564 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCC([NH2+]C)CC2)c([N+](=O)[O-])n1 ZINC000353215287 415476301 /nfs/dbraw/zinc/47/63/01/415476301.db2.gz HZSYZYKNATZEOL-UHFFFAOYSA-N 1 0 317.371 0.184 20 5 DCBDRO COC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353620122 415606347 /nfs/dbraw/zinc/60/63/47/415606347.db2.gz ICRPHRFZCGCITJ-ZYHUDNBSSA-N 1 0 311.338 0.909 20 5 DCBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000120312638 415763991 /nfs/dbraw/zinc/76/39/91/415763991.db2.gz GZWALOOJEHATQZ-SECBINFHSA-N 1 0 316.317 0.918 20 5 DCBDRO COc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000336855782 415837883 /nfs/dbraw/zinc/83/78/83/415837883.db2.gz ZFSIKECZJBPSJO-JTQLQIEISA-N 1 0 307.306 0.840 20 5 DCBDRO C[NH2+]CCN(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000120687829 415779439 /nfs/dbraw/zinc/77/94/39/415779439.db2.gz UDTLSFRSXRECBQ-UHFFFAOYSA-N 1 0 304.306 0.728 20 5 DCBDRO COCC[N@H+](C)CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290440450 415806573 /nfs/dbraw/zinc/80/65/73/415806573.db2.gz BWVAFNUXLNXGKF-UHFFFAOYSA-N 1 0 311.342 0.469 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000125699557 415868878 /nfs/dbraw/zinc/86/88/78/415868878.db2.gz METQSTVCAPAPQA-UHFFFAOYSA-N 1 0 321.381 0.296 20 5 DCBDRO C[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000295423982 415891678 /nfs/dbraw/zinc/89/16/78/415891678.db2.gz UDZKGHBGBCELBI-NSHDSACASA-N 1 0 307.354 0.734 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+]1CCC1 ZINC000337293390 415939861 /nfs/dbraw/zinc/93/98/61/415939861.db2.gz NSRDVNBMUZCAEF-LLVKDONJSA-N 1 0 320.349 0.535 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000356727041 415977957 /nfs/dbraw/zinc/97/79/57/415977957.db2.gz BXPJPMWQVSZKMX-GHMZBOCLSA-N 1 0 307.354 0.885 20 5 DCBDRO COc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153392906 415980445 /nfs/dbraw/zinc/98/04/45/415980445.db2.gz WNAGGVCRRHTYDS-CQSZACIVSA-N 1 0 311.338 0.646 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000153968415 415989390 /nfs/dbraw/zinc/98/93/90/415989390.db2.gz GYWZUBYUBZCJPE-NEPJUHHUSA-N 1 0 307.354 0.734 20 5 DCBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H](O)C1 ZINC000337977648 416029672 /nfs/dbraw/zinc/02/96/72/416029672.db2.gz IKIJBNYVDUOJNZ-LLVKDONJSA-N 1 0 307.306 0.959 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358360215 416229538 /nfs/dbraw/zinc/22/95/38/416229538.db2.gz VQYSAOJPHVPCNV-CQSZACIVSA-N 1 0 324.337 0.645 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000358706561 416271180 /nfs/dbraw/zinc/27/11/80/416271180.db2.gz NHKXQPAVLWSTGO-HNNXBMFYSA-N 1 0 322.365 0.503 20 5 DCBDRO COCC1(C)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000358737432 416275161 /nfs/dbraw/zinc/27/51/61/416275161.db2.gz ACDMFGJCGIDLCX-ZDUSSCGKSA-N 1 0 312.370 0.901 20 5 DCBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331460695 416316457 /nfs/dbraw/zinc/31/64/57/416316457.db2.gz YWXFPHCGXVSAEG-WDEREUQCSA-N 1 0 308.342 0.272 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000415419476 416342225 /nfs/dbraw/zinc/34/22/25/416342225.db2.gz QHLIPFIVURSAFX-SECBINFHSA-N 1 0 308.338 0.956 20 5 DCBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415489689 416345302 /nfs/dbraw/zinc/34/53/02/416345302.db2.gz XGOXCIQVEZKEOW-UHFFFAOYSA-N 1 0 308.338 0.977 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000194858805 416324839 /nfs/dbraw/zinc/32/48/39/416324839.db2.gz IPPKDYIRROGONH-ZETCQYMHSA-N 1 0 301.324 0.075 20 5 DCBDRO C[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000417141180 416381834 /nfs/dbraw/zinc/38/18/34/416381834.db2.gz RCEHYLDLFRLFAK-GFCCVEGCSA-N 1 0 321.381 0.860 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418866708 416392183 /nfs/dbraw/zinc/39/21/83/416392183.db2.gz LLCSNPMVWWEUSK-CYBMUJFWSA-N 1 0 322.365 0.353 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419272773 416398321 /nfs/dbraw/zinc/39/83/21/416398321.db2.gz PZGKVLZPFKOLCU-ONGXEEELSA-N 1 0 322.365 0.791 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420266020 416418168 /nfs/dbraw/zinc/41/81/68/416418168.db2.gz FNZZUQOADXYVGX-LBPRGKRZSA-N 1 0 318.337 0.960 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000419758217 416409132 /nfs/dbraw/zinc/40/91/32/416409132.db2.gz JLZLUFYGLSOVMD-LBPRGKRZSA-N 1 0 320.349 0.373 20 5 DCBDRO COC[C@@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]C1 ZINC000423058040 416463464 /nfs/dbraw/zinc/46/34/64/416463464.db2.gz BJHNISUUWDMXAC-OAHLLOKOSA-N 1 0 323.349 0.846 20 5 DCBDRO C[NH+]1CCC(Nc2cccc([N+](=O)[O-])c2S(N)(=O)=O)CC1 ZINC000533205303 416480852 /nfs/dbraw/zinc/48/08/52/416480852.db2.gz XPUZYZRFWCBPSS-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO CNc1nccc(C(=O)NCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000594261183 416558445 /nfs/dbraw/zinc/55/84/45/416558445.db2.gz UBCAMHKFJITOSV-UHFFFAOYSA-N 1 0 307.354 1.103 20 5 DCBDRO C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000594291385 416558815 /nfs/dbraw/zinc/55/88/15/416558815.db2.gz UOEXVWXASBMYEW-SECBINFHSA-N 1 0 307.354 1.032 20 5 DCBDRO CN1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1(C)C ZINC000584101337 416499020 /nfs/dbraw/zinc/49/90/20/416499020.db2.gz HNSMPOOEYTXDGZ-UHFFFAOYSA-N 1 0 308.338 0.309 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000423455556 416513208 /nfs/dbraw/zinc/51/32/08/416513208.db2.gz MQLZYOIBZWYAOK-SECBINFHSA-N 1 0 308.338 0.344 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000423481849 416517020 /nfs/dbraw/zinc/51/70/20/416517020.db2.gz QXDIBJKANFOOPM-LBPRGKRZSA-N 1 0 320.349 0.487 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000423997243 416602899 /nfs/dbraw/zinc/60/28/99/416602899.db2.gz XYVFQTOARHPIBG-VIFPVBQESA-N 1 0 305.294 0.189 20 5 DCBDRO O=c1[nH]c(NCC[N@H+]2CC[C@H](O)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000599199678 416610053 /nfs/dbraw/zinc/61/00/53/416610053.db2.gz PUIAQCBKTGQBJJ-JTQLQIEISA-N 1 0 319.321 0.722 20 5 DCBDRO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000367578967 416647577 /nfs/dbraw/zinc/64/75/77/416647577.db2.gz XKYMFNTXRYSEDF-QWHCGFSZSA-N 1 0 309.370 0.586 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])n1 ZINC000440808749 416649960 /nfs/dbraw/zinc/64/99/60/416649960.db2.gz LDOUSFTVMLSURW-BDAKNGLRSA-N 1 0 317.371 0.088 20 5 DCBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548420247 416688311 /nfs/dbraw/zinc/68/83/11/416688311.db2.gz RRAJVDQFCRRWOX-SNVBAGLBSA-N 1 0 307.354 1.128 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000516293207 416721241 /nfs/dbraw/zinc/72/12/41/416721241.db2.gz FLWZSWZKMBZQBG-RISCZKNCSA-N 1 0 323.353 0.146 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000428457284 416897348 /nfs/dbraw/zinc/89/73/48/416897348.db2.gz MQOMCAVYXLHEAR-NSHDSACASA-N 1 0 316.321 0.609 20 5 DCBDRO C[NH2+]C[C@H]1CCCN(C(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000428747006 416923353 /nfs/dbraw/zinc/92/33/53/416923353.db2.gz VMHDOJHUSJDEFH-GFCCVEGCSA-N 1 0 309.370 0.948 20 5 DCBDRO CCC[N@@H+](CC(N)=O)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000429129160 416946668 /nfs/dbraw/zinc/94/66/68/416946668.db2.gz QZEPPBMHLRNGCH-LBPRGKRZSA-N 1 0 311.338 0.532 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000447243989 416973566 /nfs/dbraw/zinc/97/35/66/416973566.db2.gz CDOJZYAEMLPYOZ-QMMMGPOBSA-N 1 0 303.340 0.477 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000429551473 416979841 /nfs/dbraw/zinc/97/98/41/416979841.db2.gz YJNBHTUWKXNPPI-LLVKDONJSA-N 1 0 321.333 0.762 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910054 417038394 /nfs/dbraw/zinc/03/83/94/417038394.db2.gz CLWBSWCWRXRQMA-WCQYABFASA-N 1 0 309.322 0.323 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447918281 417042568 /nfs/dbraw/zinc/04/25/68/417042568.db2.gz BDHSEHYNPMYWLC-AAEUAGOBSA-N 1 0 323.349 0.971 20 5 DCBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000430595806 417046010 /nfs/dbraw/zinc/04/60/10/417046010.db2.gz YRQHZNKZXILSNI-LBPRGKRZSA-N 1 0 322.365 0.651 20 5 DCBDRO COc1ccc(NC(=O)CN2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430951420 417089259 /nfs/dbraw/zinc/08/92/59/417089259.db2.gz LHGSWFTXOJAWRL-JTQLQIEISA-N 1 0 308.338 0.823 20 5 DCBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)CCN1CCOC(C)(C)C1 ZINC000434708180 287356347 /nfs/dbraw/zinc/35/63/47/287356347.db2.gz QWEOWCXPNCEUHJ-UHFFFAOYSA-N 1 0 311.386 0.834 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449583278 417153045 /nfs/dbraw/zinc/15/30/45/417153045.db2.gz AWEOXMFSKMUSRZ-NRPADANISA-N 1 0 312.374 0.679 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449566555 417153404 /nfs/dbraw/zinc/15/34/04/417153404.db2.gz PJSOJPPYZUKEGF-YTWAJWBKSA-N 1 0 322.369 0.161 20 5 DCBDRO CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC([NH3+])C1 ZINC000449630968 417158789 /nfs/dbraw/zinc/15/87/89/417158789.db2.gz JKBASDGDICWBST-UHFFFAOYSA-N 1 0 321.333 0.857 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415316430 417365132 /nfs/dbraw/zinc/36/51/32/417365132.db2.gz NXKIFTQMQVMIPA-SNVBAGLBSA-N 1 0 306.322 0.710 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000415341792 417367781 /nfs/dbraw/zinc/36/77/81/417367781.db2.gz HYAXUCUYEOAWAS-JTQLQIEISA-N 1 0 320.349 0.970 20 5 DCBDRO CNc1nccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000574289434 417482243 /nfs/dbraw/zinc/48/22/43/417482243.db2.gz DGVHOKVODJGYAY-SNVBAGLBSA-N 1 0 307.354 1.103 20 5 DCBDRO CNc1nc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000455523381 417607557 /nfs/dbraw/zinc/60/75/57/417607557.db2.gz ZOZWWPZKLPWBHW-JTQLQIEISA-N 1 0 305.338 0.952 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000531882804 417647164 /nfs/dbraw/zinc/64/71/64/417647164.db2.gz KFXWQRMKHNMPAB-LBPRGKRZSA-N 1 0 321.337 0.059 20 5 DCBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000532021085 417652592 /nfs/dbraw/zinc/65/25/92/417652592.db2.gz XSLIFSZMXCUZRS-LBPRGKRZSA-N 1 0 324.385 0.821 20 5 DCBDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000297557725 227299564 /nfs/dbraw/zinc/29/95/64/227299564.db2.gz AVXAJJIWZFFXRC-UHFFFAOYSA-N 1 0 302.356 0.080 20 5 DCBDRO Cc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000299265317 229016004 /nfs/dbraw/zinc/01/60/04/229016004.db2.gz KMYXOEHIEAPWOL-JTQLQIEISA-N 1 0 308.338 0.908 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299483315 229144931 /nfs/dbraw/zinc/14/49/31/229144931.db2.gz GFZDAPCBICUGMW-QWHCGFSZSA-N 1 0 320.349 0.500 20 5 DCBDRO COC1(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000150755246 261109523 /nfs/dbraw/zinc/10/95/23/261109523.db2.gz CKXBNVZDXWIGIF-UHFFFAOYSA-N 1 0 322.365 0.892 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000394075573 262162066 /nfs/dbraw/zinc/16/20/66/262162066.db2.gz ODAIMYQECRHCBY-ZBKLQPJUSA-N 1 0 304.350 0.628 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000394761279 262162602 /nfs/dbraw/zinc/16/26/02/262162602.db2.gz FOXMOURQSDHOFK-QMMMGPOBSA-N 1 0 308.367 0.915 20 5 DCBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000417125202 262246873 /nfs/dbraw/zinc/24/68/73/262246873.db2.gz AYGFOKNUROKDML-FZMZJTMJSA-N 1 0 321.381 0.859 20 5 DCBDRO COc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000417192772 262247060 /nfs/dbraw/zinc/24/70/60/262247060.db2.gz KRYAABLQFAFCAO-NSHDSACASA-N 1 0 324.337 0.391 20 5 DCBDRO COCC[NH2+]CCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000418076152 262269241 /nfs/dbraw/zinc/26/92/41/262269241.db2.gz GAMUACLPAFDUGQ-UHFFFAOYSA-N 1 0 310.354 0.938 20 5 DCBDRO C[NH2+]CCCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000418081470 262269333 /nfs/dbraw/zinc/26/93/33/262269333.db2.gz GFWGTEJSRJQHGG-UHFFFAOYSA-N 1 0 306.326 0.880 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418772760 262288623 /nfs/dbraw/zinc/28/86/23/262288623.db2.gz BPBIXDPAZWVQMY-GHMZBOCLSA-N 1 0 322.365 0.744 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000419152897 262313838 /nfs/dbraw/zinc/31/38/38/262313838.db2.gz ORVMHSBBNJIEPB-GHMZBOCLSA-N 1 0 320.349 0.592 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419239515 262322523 /nfs/dbraw/zinc/32/25/23/262322523.db2.gz ALQWYCBMBPQSPE-UWVGGRQHSA-N 1 0 308.338 0.544 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000420256839 262368041 /nfs/dbraw/zinc/36/80/41/262368041.db2.gz JOSSAGOOPIQHEB-GXSJLCMTSA-N 1 0 306.322 0.822 20 5 DCBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCO[C@H](C[NH3+])C1 ZINC000420398477 262373246 /nfs/dbraw/zinc/37/32/46/262373246.db2.gz YVCPRPFDTQVHAB-NWDGAFQWSA-N 1 0 322.365 0.971 20 5 DCBDRO C[C@@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000420439735 271369576 /nfs/dbraw/zinc/36/95/76/271369576.db2.gz MRMJUTCVUIAPHZ-VHSXEESVSA-N 1 0 301.368 0.792 20 5 DCBDRO C[NH2+]CCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000422732190 271381662 /nfs/dbraw/zinc/38/16/62/271381662.db2.gz NIHKKTRGOREEKY-UHFFFAOYSA-N 1 0 308.338 0.359 20 5 DCBDRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459785878 272008771 /nfs/dbraw/zinc/00/87/71/272008771.db2.gz ALWJVBKKLMKWJC-QWHCGFSZSA-N 1 0 309.322 0.927 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557117 272135089 /nfs/dbraw/zinc/13/50/89/272135089.db2.gz BLGQTJSSNOHROD-QTLSWZBMSA-N 1 0 323.324 0.930 20 5 DCBDRO COc1ccc(CC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000521998563 272543841 /nfs/dbraw/zinc/54/38/41/272543841.db2.gz LETFPTZQQWVAMR-TXEJJXNPSA-N 1 0 305.334 0.824 20 5 DCBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000195346030 276722164 /nfs/dbraw/zinc/72/21/64/276722164.db2.gz XGTJFKRTMABURM-UHFFFAOYSA-N 1 0 324.385 0.330 20 5 DCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000151604348 277075801 /nfs/dbraw/zinc/07/58/01/277075801.db2.gz QUBMIYIUVLVVDU-ZDUSSCGKSA-N 1 0 319.365 0.733 20 5 DCBDRO C[NH2+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000151237050 277272491 /nfs/dbraw/zinc/27/24/91/277272491.db2.gz AICLDNJEPDMLQD-SECBINFHSA-N 1 0 310.310 0.128 20 5 DCBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1CC(C)(C)O ZINC000548059867 288107468 /nfs/dbraw/zinc/10/74/68/288107468.db2.gz MQJXXOIZBYUJDD-NSHDSACASA-N 1 0 324.381 0.851 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2COCCO2)c1 ZINC000555575436 288357240 /nfs/dbraw/zinc/35/72/40/288357240.db2.gz JWOKNEDPMAPTNO-JSGCOSHPSA-N 1 0 312.322 0.340 20 5 DCBDRO [NH3+][C@@H]1Cc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000564321131 288735908 /nfs/dbraw/zinc/73/59/08/288735908.db2.gz GCTCOBACUXLEOD-SNVBAGLBSA-N 1 0 302.294 0.103 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000021810363 295187482 /nfs/dbraw/zinc/18/74/82/295187482.db2.gz OKSMKNVGARAVAY-UHFFFAOYSA-N 1 0 315.351 0.715 20 5 DCBDRO [NH3+][C@@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000122398623 303455432 /nfs/dbraw/zinc/45/54/32/303455432.db2.gz MYRAFVFIFXINSO-MRVPVSSYSA-N 1 0 303.315 0.846 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000583333874 331482959 /nfs/dbraw/zinc/48/29/59/331482959.db2.gz ISOMHTISDCPULA-LLVKDONJSA-N 1 0 322.365 0.888 20 5 DCBDRO Cc1cc(C)n(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000391427045 336957714 /nfs/dbraw/zinc/95/77/14/336957714.db2.gz YFUXFVUHFGPYGB-CQSZACIVSA-N 1 0 322.369 0.645 20 5 DCBDRO CCOc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000583704978 337092468 /nfs/dbraw/zinc/09/24/68/337092468.db2.gz XMBOXLMUPOVANM-VXGBXAGGSA-N 1 0 320.349 0.742 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](CO)CC(F)F ZINC000575181016 341783899 /nfs/dbraw/zinc/78/38/99/341783899.db2.gz MAGUTVKYCYFWFY-NXEZZACHSA-N 1 0 320.292 0.940 20 5 DCBDRO COc1cc(C(=O)NCC[NH3+])c([N+](=O)[O-])cc1OC(F)F ZINC000237085681 522107881 /nfs/dbraw/zinc/10/78/81/522107881.db2.gz CQTHZGXRGYGUAH-UHFFFAOYSA-N 1 0 305.237 0.893 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000267135999 523779678 /nfs/dbraw/zinc/77/96/78/523779678.db2.gz PVUHEHXTAPZFDY-UHFFFAOYSA-N 1 0 323.349 0.547 20 5 DCBDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000189369029 525772043 /nfs/dbraw/zinc/77/20/43/525772043.db2.gz BGDOHNPRLFWRNO-NSHDSACASA-N 1 0 322.365 0.192 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269163169 527410169 /nfs/dbraw/zinc/41/01/69/527410169.db2.gz OCAMEFOMPXTGLF-NSHDSACASA-N 1 0 306.322 0.274 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330796391 527832777 /nfs/dbraw/zinc/83/27/77/527832777.db2.gz FVBNJTUVWNSYAZ-SNVBAGLBSA-N 1 0 307.354 0.986 20 5 DCBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000736800641 598499449 /nfs/dbraw/zinc/49/94/49/598499449.db2.gz LARVUBJIYSPSKW-UHFFFAOYSA-N 1 0 304.314 0.676 20 5 DCBDRO CC[N@@H+]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821268468 606709762 /nfs/dbraw/zinc/70/97/62/606709762.db2.gz XZDMPRDDKFDVPN-UHFFFAOYSA-N 1 0 318.341 0.702 20 5 DCBDRO Cn1nccc1CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000981137384 661084959 /nfs/dbraw/zinc/08/49/59/661084959.db2.gz RUDGWESPOWLLLK-ZIAGYGMSSA-N 1 0 321.381 0.162 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccco2)C1 ZINC001021781562 658429866 /nfs/dbraw/zinc/42/98/66/658429866.db2.gz ZTGQYVSMGZKNMH-AOOOYVTPSA-N 1 0 319.321 0.972 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1nnc[nH]1 ZINC001020782558 658461873 /nfs/dbraw/zinc/46/18/73/658461873.db2.gz UWKBIMOWIPVRQW-KYZUINATSA-N 1 0 322.350 0.825 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccon2)C1 ZINC001021869782 658600645 /nfs/dbraw/zinc/60/06/45/658600645.db2.gz JNMMDACJHYXORY-DTORHVGOSA-N 1 0 320.309 0.367 20 5 DCBDRO COc1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000891397268 658686481 /nfs/dbraw/zinc/68/64/81/658686481.db2.gz AUEZHHRDLIFPSX-QWRGUYRKSA-N 1 0 306.322 0.859 20 5 DCBDRO CCn1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022063678 658813942 /nfs/dbraw/zinc/81/39/42/658813942.db2.gz GOAGPGZXXQVSJB-YVECIDJPSA-N 1 0 307.354 0.305 20 5 DCBDRO COc1ncccc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063513 658819821 /nfs/dbraw/zinc/81/98/21/658819821.db2.gz COLDNVFDFNWDCN-YVECIDJPSA-N 1 0 320.349 0.492 20 5 DCBDRO Cc1ccncc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063538 658820151 /nfs/dbraw/zinc/82/01/51/658820151.db2.gz DCOVRJTYCJOLFY-XJFOESAGSA-N 1 0 304.350 0.792 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCN(C)CCN(C)CC2)n1 ZINC000888985189 658900368 /nfs/dbraw/zinc/90/03/68/658900368.db2.gz OGNFDCCINVKMAW-UHFFFAOYSA-N 1 0 324.385 0.131 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)C[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000312353378 659259575 /nfs/dbraw/zinc/25/95/75/659259575.db2.gz IKNPXIJSNHKKIE-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000928568461 662132412 /nfs/dbraw/zinc/13/24/12/662132412.db2.gz GJWYMYYLFSNSKG-GFCCVEGCSA-N 1 0 303.322 0.765 20 5 DCBDRO Cc1cc(N2CCC[C@H](C(=O)NCC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000262358359 662346526 /nfs/dbraw/zinc/34/65/26/662346526.db2.gz WDGCOTHUUYPPRX-NSHDSACASA-N 1 0 307.354 0.590 20 5 DCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1C[N@H+](C)CCN1C ZINC000900808256 663282944 /nfs/dbraw/zinc/28/29/44/663282944.db2.gz WGVCZFCBAPMTFL-MFKMUULPSA-N 1 0 309.370 0.297 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH2+]CCC23CCOCC3)c1 ZINC000903817785 663485532 /nfs/dbraw/zinc/48/55/32/663485532.db2.gz IPQKZYZFPJMQIF-UHFFFAOYSA-N 1 0 309.370 0.636 20 5 DCBDRO CC(C)(C)OC(=O)N1CCO[C@](C)(C[NH2+]CC[N+](=O)[O-])C1 ZINC000905584187 663567177 /nfs/dbraw/zinc/56/71/77/663567177.db2.gz HCAMTNXCBVLHLR-CYBMUJFWSA-N 1 0 303.359 0.879 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941407460 665991541 /nfs/dbraw/zinc/99/15/41/665991541.db2.gz RSBPTRFURDTCIZ-HUUCEWRRSA-N 1 0 322.409 0.280 20 5 DCBDRO C[NH+]1C[C@@]2(C)CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000913292060 664299050 /nfs/dbraw/zinc/29/90/50/664299050.db2.gz YNGQJHWTOLCCHJ-KBPBESRZSA-N 1 0 307.354 0.592 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913541944 664345156 /nfs/dbraw/zinc/34/51/56/664345156.db2.gz YLYFNMBQWHXIQP-SNVBAGLBSA-N 1 0 311.313 0.791 20 5 DCBDRO Cc1ncoc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001400060 666042067 /nfs/dbraw/zinc/04/20/67/666042067.db2.gz PZPCVICTIKDFDS-CHWSQXEVSA-N 1 0 322.365 0.976 20 5 DCBDRO Cn1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001002782751 666220953 /nfs/dbraw/zinc/22/09/53/666220953.db2.gz PCVJMWUSKCEFFO-CHWSQXEVSA-N 1 0 307.354 0.166 20 5 DCBDRO CO[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000922615979 666495868 /nfs/dbraw/zinc/49/58/68/666495868.db2.gz QAXQIZINSBLWJQ-CYBMUJFWSA-N 1 0 314.363 0.888 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996429630 666791203 /nfs/dbraw/zinc/79/12/03/666791203.db2.gz QKBMLEFCGSLKHK-VXGBXAGGSA-N 1 0 305.338 0.222 20 5 DCBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863321425 667129154 /nfs/dbraw/zinc/12/91/54/667129154.db2.gz UPKFAKMSBVVQSE-MRVPVSSYSA-N 1 0 312.301 0.113 20 5 DCBDRO C[C@@H]([NH3+])CN(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000863568199 667158347 /nfs/dbraw/zinc/15/83/47/667158347.db2.gz JOUDALYVKPCZQJ-SNVBAGLBSA-N 1 0 301.368 0.648 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865535058 667330596 /nfs/dbraw/zinc/33/05/96/667330596.db2.gz OGQTWNQKMVFMRO-LLVKDONJSA-N 1 0 312.345 0.884 20 5 DCBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743261038 667805488 /nfs/dbraw/zinc/80/54/88/667805488.db2.gz OWVIERKZWWJWDD-GJZGRUSLSA-N 1 0 320.349 0.784 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000871674178 667842966 /nfs/dbraw/zinc/84/29/66/667842966.db2.gz SYYOASJVCIUHIG-LBPRGKRZSA-N 1 0 322.365 0.822 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)n1 ZINC000887928060 667932286 /nfs/dbraw/zinc/93/22/86/667932286.db2.gz UJROTKAFOVLACE-IINYFYTJSA-N 1 0 307.354 0.835 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887938875 667933074 /nfs/dbraw/zinc/93/30/74/667933074.db2.gz DGCLNHWHCYGQIR-RISCZKNCSA-N 1 0 307.354 0.510 20 5 DCBDRO Cc1c(NC(=O)N2CCNCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000925900650 668355547 /nfs/dbraw/zinc/35/55/47/668355547.db2.gz LBCMNSWRIWCDLA-UHFFFAOYSA-N 1 0 307.354 0.930 20 5 DCBDRO COC[C@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[NH2+]CCO1 ZINC000876592258 668471195 /nfs/dbraw/zinc/47/11/95/668471195.db2.gz DUHACTSEEWDCGO-HNNXBMFYSA-N 1 0 323.349 0.558 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](CO)C1CC1 ZINC000771803240 668752376 /nfs/dbraw/zinc/75/23/76/668752376.db2.gz AVPMLXNQNSBFIS-LBPRGKRZSA-N 1 0 309.322 0.902 20 5 DCBDRO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776588849 668878670 /nfs/dbraw/zinc/87/86/70/668878670.db2.gz CQPZWHMTUKGUJN-HZSPNIEDSA-N 1 0 305.334 0.981 20 5 DCBDRO C[C@H](CCO)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000779413280 668910658 /nfs/dbraw/zinc/91/06/58/668910658.db2.gz RHJKTFQYEGUSKZ-SNVBAGLBSA-N 1 0 317.367 0.234 20 5 DCBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)C1(O)CCOCC1)C2 ZINC000930099486 668957227 /nfs/dbraw/zinc/95/72/27/668957227.db2.gz LQDIJTLXCBLQHV-OAHLLOKOSA-N 1 0 322.361 0.855 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000782615830 669111816 /nfs/dbraw/zinc/11/18/16/669111816.db2.gz GXMFFORZOHIDIK-NJZAAPMLSA-N 1 0 308.334 0.649 20 5 DCBDRO C[NH+](C)C1(C)CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000931351026 669183993 /nfs/dbraw/zinc/18/39/93/669183993.db2.gz DZGCZBPEYFCDCA-ZDUSSCGKSA-N 1 0 311.386 0.568 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](CCCCCO)CC2)n1 ZINC000931497840 669213091 /nfs/dbraw/zinc/21/30/91/669213091.db2.gz QIVAADUGYMIKOJ-UHFFFAOYSA-N 1 0 311.386 0.572 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1 ZINC000881798376 669386757 /nfs/dbraw/zinc/38/67/57/669386757.db2.gz VHYXSZNAWPNVAH-UHFFFAOYSA-N 1 0 311.317 0.339 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934277114 669590739 /nfs/dbraw/zinc/59/07/39/669590739.db2.gz YQILRAAWGNWPRJ-KBPBESRZSA-N 1 0 323.397 0.631 20 5 DCBDRO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H]1CC(C)(C)OC1=O ZINC000795661820 669906574 /nfs/dbraw/zinc/90/65/74/669906574.db2.gz PLVYEPKKZTZWCV-WDEREUQCSA-N 1 0 312.326 0.178 20 5 DCBDRO CON(C)C(=O)CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000799139779 670043907 /nfs/dbraw/zinc/04/39/07/670043907.db2.gz WCRLOHCSOZZNCQ-NSHDSACASA-N 1 0 323.353 0.886 20 5 DCBDRO Nc1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc(CO)c1[N+](=O)[O-] ZINC000804397298 670292870 /nfs/dbraw/zinc/29/28/70/670292870.db2.gz WTMZNFWPVVNSIN-QWHCGFSZSA-N 1 0 322.365 0.944 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N1CCC([NH3+])(CO)CC1 ZINC000804459239 670295274 /nfs/dbraw/zinc/29/52/74/670295274.db2.gz SXSWUCOMHKHUNO-UHFFFAOYSA-N 1 0 323.349 0.980 20 5 DCBDRO CN(CCOCC[NH3+])S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000858634431 671025408 /nfs/dbraw/zinc/02/54/08/671025408.db2.gz SXUPYNKIHMRRDL-UHFFFAOYSA-N 1 0 321.330 0.330 20 5 DCBDRO C[S@@](=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819033203 671086978 /nfs/dbraw/zinc/08/69/78/671086978.db2.gz MHXGGZRFJBFZAP-WVDJIFEKSA-N 1 0 302.352 0.303 20 5 DCBDRO CN1CCN(C)[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819048742 671089062 /nfs/dbraw/zinc/08/90/62/671089062.db2.gz ASZYIANIKOJNMZ-LSDHHAIUSA-N 1 0 308.382 0.464 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCS(=O)(=O)C2CC2)c1 ZINC000819368032 671115138 /nfs/dbraw/zinc/11/51/38/671115138.db2.gz CXLYEBYMSXFVJL-CYBMUJFWSA-N 1 0 314.363 0.795 20 5 DCBDRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859556932 671126259 /nfs/dbraw/zinc/12/62/59/671126259.db2.gz FODLTOWZEXPOGU-UKRRQHHQSA-N 1 0 324.333 0.892 20 5 DCBDRO C[C@]1(CO)C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000859823378 671148745 /nfs/dbraw/zinc/14/87/45/671148745.db2.gz CPYALYMFJBRDBI-OAGGEKHMSA-N 1 0 324.377 0.941 20 5 DCBDRO O=C1OC[C@H]2C[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000860156032 671184180 /nfs/dbraw/zinc/18/41/80/671184180.db2.gz CRNPGHPITOIBOD-SCDSUCTJSA-N 1 0 322.317 0.439 20 5 DCBDRO [NH3+]C[C@H]1CC(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)=NO1 ZINC000852891125 671187933 /nfs/dbraw/zinc/18/79/33/671187933.db2.gz YTIWSGLATIMSJO-SNVBAGLBSA-N 1 0 322.325 0.058 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822469389 671324958 /nfs/dbraw/zinc/32/49/58/671324958.db2.gz JZNIPMWIQMFAFZ-UHFFFAOYSA-N 1 0 314.386 0.054 20 5 DCBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000832021911 671697201 /nfs/dbraw/zinc/69/72/01/671697201.db2.gz UYIWILKFBDTMJW-CYBMUJFWSA-N 1 0 311.317 0.656 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1CCC[NH2+]CC1 ZINC000832261521 671712878 /nfs/dbraw/zinc/71/28/78/671712878.db2.gz XAIIXMMGOJFSDB-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO Nc1ccc(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000834840141 671783497 /nfs/dbraw/zinc/78/34/97/671783497.db2.gz BWIGQTUKMHFYBB-JTQLQIEISA-N 1 0 300.265 0.904 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000836847678 671834569 /nfs/dbraw/zinc/83/45/69/671834569.db2.gz AFSOZXYOHIVKOM-KWCYVHTRSA-N 1 0 305.334 0.791 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[NH2+]C1CC1 ZINC000841166016 671917651 /nfs/dbraw/zinc/91/76/51/671917651.db2.gz JAAKHAWULGNCMT-UHFFFAOYSA-N 1 0 324.312 0.849 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000843068555 672058875 /nfs/dbraw/zinc/05/88/75/672058875.db2.gz HBOXSYFWRCGPQY-KGLIPLIRSA-N 1 0 324.312 0.615 20 5 DCBDRO Cc1ccc([C@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000843090281 672060704 /nfs/dbraw/zinc/06/07/04/672060704.db2.gz VPQJJKJHIRIHGL-NWDGAFQWSA-N 1 0 310.310 0.377 20 5 DCBDRO C[C@H](C[C@H](O)c1ccco1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843102352 672062014 /nfs/dbraw/zinc/06/20/14/672062014.db2.gz WRCWJKYSMUMLMZ-RTXFEEFZSA-N 1 0 324.337 0.847 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1cn[nH]n1 ZINC001020341626 693774960 /nfs/dbraw/zinc/77/49/60/693774960.db2.gz YKJJGEGYHXEZMA-XYPYZODXSA-N 1 0 316.321 0.764 20 5 DCBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001573960062 1163604842 /nfs/dbraw/zinc/60/48/42/1163604842.db2.gz CQOLVQQUEYPZMM-ZFWWWQNUSA-N 1 0 323.349 0.857 20 5 DCBDRO C[C@@]([NH3+])(C(=O)NCc1ccncn1)c1cccc([N+](=O)[O-])c1 ZINC001576085921 1164237163 /nfs/dbraw/zinc/23/71/63/1164237163.db2.gz NBYGNYHJOVNRTP-AWEZNQCLSA-N 1 0 301.306 0.875 20 5 DCBDRO CCNc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2OC)cc1[N+](=O)[O-] ZINC001577902537 1164829106 /nfs/dbraw/zinc/82/91/06/1164829106.db2.gz RZEIUSNZDYSLHO-DGCLKSJQSA-N 1 0 308.338 0.743 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001579013388 1165187911 /nfs/dbraw/zinc/18/79/11/1165187911.db2.gz YTQQEWLQSPZWIG-CABCVRRESA-N 1 0 309.366 0.939 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001579013391 1165188016 /nfs/dbraw/zinc/18/80/16/1165188016.db2.gz YTQQEWLQSPZWIG-LSDHHAIUSA-N 1 0 309.366 0.939 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001579242159 1165248516 /nfs/dbraw/zinc/24/85/16/1165248516.db2.gz LGUQWBDUTHYKQU-HNNXBMFYSA-N 1 0 323.349 0.724 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC2(C1)CC[NH2+]CC2 ZINC001579824433 1165403638 /nfs/dbraw/zinc/40/36/38/1165403638.db2.gz ANELJJOWUMQHEV-UHFFFAOYSA-N 1 0 305.338 0.937 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC001579877184 1165420105 /nfs/dbraw/zinc/42/01/05/1165420105.db2.gz CDVCRCDQPCCTLG-TUAOUCFPSA-N 1 0 307.354 0.686 20 5 DCBDRO Cc1nn(CCC(=O)N[C@@H]2C[NH2+]CC2(C)C)c(C)c1[N+](=O)[O-] ZINC001579895405 1165427657 /nfs/dbraw/zinc/42/76/57/1165427657.db2.gz LBAXNCIEVYASBB-LLVKDONJSA-N 1 0 309.370 0.912 20 5 DCBDRO NC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230059 1165543013 /nfs/dbraw/zinc/54/30/13/1165543013.db2.gz XWKVGZXWVWQAKX-KGLIPLIRSA-N 1 0 311.386 0.649 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001580578855 1165643574 /nfs/dbraw/zinc/64/35/74/1165643574.db2.gz OSWMZHVYUBKCGC-LLVKDONJSA-N 1 0 323.353 0.066 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC001580578461 1165643607 /nfs/dbraw/zinc/64/36/07/1165643607.db2.gz FBKXFGYKRRPUKB-LLVKDONJSA-N 1 0 322.369 0.615 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])c(-c2ccccn2)n1)N1CC[NH2+]CC1 ZINC001580578866 1165643798 /nfs/dbraw/zinc/64/37/98/1165643798.db2.gz PSIJVQZIWFNDGZ-UHFFFAOYSA-N 1 0 316.321 0.285 20 5 DCBDRO O=C(NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CC[NH2+]1 ZINC001580686537 1165687619 /nfs/dbraw/zinc/68/76/19/1165687619.db2.gz FPMSYWPLWTXKEV-LLVKDONJSA-N 1 0 303.322 0.882 20 5 DCBDRO C[NH+](C)C1CN(c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591010073 1167075938 /nfs/dbraw/zinc/07/59/38/1167075938.db2.gz AQMDVIQJZOBRFN-UHFFFAOYSA-N 1 0 307.289 0.664 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NC[C@H]1CSCC[NH2+]1 ZINC001593472352 1167863790 /nfs/dbraw/zinc/86/37/90/1167863790.db2.gz ZTKDNSDABJEESH-QMMMGPOBSA-N 1 0 322.354 0.287 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CCC[C@H](O)C1 ZINC001593483049 1167865733 /nfs/dbraw/zinc/86/57/33/1167865733.db2.gz SKAGSZHLWDSKKP-VIFPVBQESA-N 1 0 304.310 0.732 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001597701984 1168011350 /nfs/dbraw/zinc/01/13/50/1168011350.db2.gz XSCGZLSNHAYNGJ-SNVBAGLBSA-N 1 0 321.333 0.806 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607082785 1170383315 /nfs/dbraw/zinc/38/33/15/1170383315.db2.gz SJMJSUVUEIIBBL-AOOOYVTPSA-N 1 0 301.310 0.431 20 5 DCBDRO C[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001609174215 1170845778 /nfs/dbraw/zinc/84/57/78/1170845778.db2.gz SLAKUMBLTLPOKN-PRHODGIISA-N 1 0 304.310 0.588 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001612902749 1171364136 /nfs/dbraw/zinc/36/41/36/1171364136.db2.gz BTWXODDNHYSIKV-VHSXEESVSA-N 1 0 305.338 0.762 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001637266345 1171761495 /nfs/dbraw/zinc/76/14/95/1171761495.db2.gz OFOARTAKMAVPMX-WDEREUQCSA-N 1 0 305.338 0.881 20 5 DCBDRO [NH3+]Cc1nccnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001642055614 1171935924 /nfs/dbraw/zinc/93/59/24/1171935924.db2.gz NPRMRGYNCHFENS-UHFFFAOYSA-N 1 0 315.337 0.565 20 5 DCBDRO NC(=O)c1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CO)ccc1[N+](=O)[O-] ZINC001643145287 1171965755 /nfs/dbraw/zinc/96/57/55/1171965755.db2.gz JSBHYRXGBLXKRG-NWDGAFQWSA-N 1 0 320.349 0.339 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC001644123685 1171997356 /nfs/dbraw/zinc/99/73/56/1171997356.db2.gz LZNULKBPKJMMLH-AWEZNQCLSA-N 1 0 308.338 0.316 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001644666487 1172012190 /nfs/dbraw/zinc/01/21/90/1172012190.db2.gz ZDQHVWIFWYKDHB-GFCCVEGCSA-N 1 0 309.370 0.900 20 5 DCBDRO NC1=CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])[NH2+]1 ZINC001651409107 1173748310 /nfs/dbraw/zinc/74/83/10/1173748310.db2.gz METWWGDPJDJIIP-UHFFFAOYSA-N 1 0 320.277 0.716 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(CNC(=O)C(F)F)CCC1 ZINC001673139493 1173785040 /nfs/dbraw/zinc/78/50/40/1173785040.db2.gz VACKYNGWPMFCMV-UHFFFAOYSA-N 1 0 317.296 0.722 20 5 DCBDRO O=C1N=NC(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)O1 ZINC001653589412 1173790785 /nfs/dbraw/zinc/79/07/85/1173790785.db2.gz XEXCYYXWKGDRQM-UHFFFAOYSA-N 1 0 308.298 0.760 20 5 DCBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001654229437 1173802043 /nfs/dbraw/zinc/80/20/43/1173802043.db2.gz MXJISZGIWDMXEJ-FBIMIBRVSA-N 1 0 306.322 0.174 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCOC23CCCC3)c1 ZINC001655823719 1173829286 /nfs/dbraw/zinc/82/92/86/1173829286.db2.gz JNGQUCYSQPYJKW-STQMWFEESA-N 1 0 310.354 0.844 20 5 DCBDRO CCc1onc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001663924141 1174371853 /nfs/dbraw/zinc/37/18/53/1174371853.db2.gz PGIAWJVDRQCAMK-ZYHUDNBSSA-N 1 0 310.354 0.759 20 5 DCBDRO O=C(NCC1([NH2+]Cc2cccnc2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001673163733 1175176636 /nfs/dbraw/zinc/17/66/36/1175176636.db2.gz CLSYNDNQVCRHCQ-CHWSQXEVSA-N 1 0 304.350 0.875 20 5 DCBDRO CCOCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690205284 1177192851 /nfs/dbraw/zinc/19/28/51/1177192851.db2.gz HTOCBTXULGZQIO-XJFOESAGSA-N 1 0 311.382 0.753 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000158625749 1180564794 /nfs/dbraw/zinc/56/47/94/1180564794.db2.gz IXSCHEZCSFZTIG-GWCFXTLKSA-N 1 0 314.363 0.653 20 5 DCBDRO CN(CC[NH2+]CC(=O)Nc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001714702710 1181490713 /nfs/dbraw/zinc/49/07/13/1181490713.db2.gz CJWCCQYYIKBJKQ-CHWSQXEVSA-N 1 0 320.349 0.338 20 5 DCBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cn[nH]c1 ZINC001716206888 1182251350 /nfs/dbraw/zinc/25/13/50/1182251350.db2.gz JPFBBOWYXIIVHA-UHFFFAOYSA-N 1 0 321.341 0.303 20 5 DCBDRO Cc1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001732850410 1186012560 /nfs/dbraw/zinc/01/25/60/1186012560.db2.gz IAKYXTQAQFZYOJ-XCUNLHGCSA-N 1 0 305.338 0.212 20 5 DCBDRO COc1ncc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC001753188325 1188527872 /nfs/dbraw/zinc/52/78/72/1188527872.db2.gz QIVPBUMIJSBFPQ-VXGBXAGGSA-N 1 0 323.353 0.007 20 5 DCBDRO COc1ccnc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001754118798 1188748350 /nfs/dbraw/zinc/74/83/50/1188748350.db2.gz DSTDSGHPWHRUST-DTSKHDKYSA-N 1 0 320.349 0.517 20 5 DCBDRO O=C(NCC1([NH2+]Cc2cncc(F)c2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754513763 1188872637 /nfs/dbraw/zinc/87/26/37/1188872637.db2.gz HMYPRGJBNNOEQA-VXGBXAGGSA-N 1 0 308.313 0.624 20 5 DCBDRO CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001754736708 1188913702 /nfs/dbraw/zinc/91/37/02/1188913702.db2.gz XSOBPHWWHMQQJG-CHWSQXEVSA-N 1 0 311.382 0.873 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419268421 1190391701 /nfs/dbraw/zinc/39/17/01/1190391701.db2.gz KRRAESVVZPTHMY-NSHDSACASA-N 1 0 322.365 0.758 20 5 DCBDRO O=[N+]([O-])c1c[nH]c2ccc(N3CCN4CC[NH2+]C[C@H]4C3)nc21 ZINC001164398436 718836254 /nfs/dbraw/zinc/83/62/54/718836254.db2.gz FUXBFVSSCQKIJN-JTQLQIEISA-N 1 0 302.338 0.565 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164671290 719378420 /nfs/dbraw/zinc/37/84/20/719378420.db2.gz VXOKXAYBLHTFGX-IUCAKERBSA-N 1 0 313.745 0.866 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164665046 719393882 /nfs/dbraw/zinc/39/38/82/719393882.db2.gz FKLBZXZUSYWPEQ-VHSXEESVSA-N 1 0 309.326 0.221 20 5 DCBDRO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001164919604 721848569 /nfs/dbraw/zinc/84/85/69/721848569.db2.gz BIHSLODNQOQTJL-KBPBESRZSA-N 1 0 321.381 0.443 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001167677493 747535435 /nfs/dbraw/zinc/53/54/35/747535435.db2.gz ROIOFSXORBTTRT-UHFFFAOYSA-N 1 0 314.305 0.270 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cncnc1 ZINC001126093622 748216600 /nfs/dbraw/zinc/21/66/00/748216600.db2.gz HMOHPAIXCPEJEX-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cncnc1 ZINC001126093317 748217270 /nfs/dbraw/zinc/21/72/70/748217270.db2.gz BNPIAPOWZLERJZ-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(C)nc(OC)c1[N+](=O)[O-] ZINC001167895670 748469761 /nfs/dbraw/zinc/46/97/61/748469761.db2.gz LMUXGBYKZYUKCB-MRVPVSSYSA-N 1 0 313.314 0.394 20 5 DCBDRO O=C(Cc1cncnc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126402687 748706897 /nfs/dbraw/zinc/70/68/97/748706897.db2.gz AOBLWCDBEORODG-UHFFFAOYSA-N 1 0 321.362 0.895 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc2c(c1)COC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932408 750143640 /nfs/dbraw/zinc/14/36/40/750143640.db2.gz WGEBGAQIYQOUFR-ZIAGYGMSSA-N 1 0 305.334 0.588 20 5 DCBDRO COCc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126936653 750149422 /nfs/dbraw/zinc/14/94/22/750149422.db2.gz OZTHYEVMYJLECW-ZIAGYGMSSA-N 1 0 307.350 0.704 20 5 DCBDRO O=C(NCC[NH2+]Cc1cc(O)ccc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936853 750149569 /nfs/dbraw/zinc/14/95/69/750149569.db2.gz UWUPYUQHBFQEMG-ZYHUDNBSSA-N 1 0 313.741 0.917 20 5 DCBDRO CC(C)N(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(C)C ZINC001126936892 750149839 /nfs/dbraw/zinc/14/98/39/750149839.db2.gz WNJGBLWMLYRBEU-VXGBXAGGSA-N 1 0 314.386 0.003 20 5 DCBDRO O=C(Cn1nccn1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001128269405 753499308 /nfs/dbraw/zinc/49/93/08/753499308.db2.gz LDIITWSYYOWDIR-UHFFFAOYSA-N 1 0 304.310 0.092 20 5 DCBDRO O=C(Cn1nccn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001128270043 753500028 /nfs/dbraw/zinc/50/00/28/753500028.db2.gz YCJGHHRRVQURSQ-UHFFFAOYSA-N 1 0 310.339 0.154 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N(C2C[NH2+]C2)S(C)(=O)=O)n1 ZINC001166966377 757985945 /nfs/dbraw/zinc/98/59/45/757985945.db2.gz DSFKMUXLXGHYOH-UHFFFAOYSA-N 1 0 321.746 0.084 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168809219 760465987 /nfs/dbraw/zinc/46/59/87/760465987.db2.gz PKHXXGCKRHPVAF-QMMMGPOBSA-N 1 0 302.294 0.090 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc3c(n2)CC[C@H]([NH3+])C3)n1 ZINC001168807830 760466082 /nfs/dbraw/zinc/46/60/82/760466082.db2.gz JOFOHSBERMIEBV-VIFPVBQESA-N 1 0 317.305 0.778 20 5 DCBDRO CS(=O)(=O)N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169009831 760544419 /nfs/dbraw/zinc/54/44/19/760544419.db2.gz YKQJXYRYFSBRTJ-CMPLNLGQSA-N 1 0 305.400 0.445 20 5 DCBDRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H](O)C(=O)NC1CC1 ZINC001168986729 760545412 /nfs/dbraw/zinc/54/54/12/760545412.db2.gz YUPDNMGXAMIOCZ-ZZVYKPCYSA-N 1 0 313.398 0.830 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170572075 763875460 /nfs/dbraw/zinc/87/54/60/763875460.db2.gz GPKPGOUIEJUYBX-LDYMZIIASA-N 1 0 310.310 0.565 20 5 DCBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170788868 765781867 /nfs/dbraw/zinc/78/18/67/765781867.db2.gz KTGKOOVKGQKVOL-ONGXEEELSA-N 1 0 309.322 0.682 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncn1 ZINC001135542448 765975533 /nfs/dbraw/zinc/97/55/33/765975533.db2.gz DKLXXLUPTHLXJS-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO CCn1cc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)nn1 ZINC001135998850 766204850 /nfs/dbraw/zinc/20/48/50/766204850.db2.gz LXXHUPYMHWCXQV-UHFFFAOYSA-N 1 0 324.366 0.787 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118195118 766252541 /nfs/dbraw/zinc/25/25/41/766252541.db2.gz GNTSVMCYVNRMGN-GHMZBOCLSA-N 1 0 308.338 0.485 20 5 DCBDRO C[NH+]1CCN(Cc2cn(Cc3cccnc3[N+](=O)[O-])nn2)CC1 ZINC001119379106 766656464 /nfs/dbraw/zinc/65/64/64/766656464.db2.gz SLMRKBACNYXHBG-UHFFFAOYSA-N 1 0 317.353 0.377 20 5 DCBDRO C[C@@H]1CN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC001120484939 767035088 /nfs/dbraw/zinc/03/50/88/767035088.db2.gz KLIQOUGZJYGNRV-IUODEOHRSA-N 1 0 309.366 0.939 20 5 DCBDRO C[C@@H]([NH3+])CONC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001122102195 767715277 /nfs/dbraw/zinc/71/52/77/767715277.db2.gz VQJZSCVOKZYDJV-SECBINFHSA-N 1 0 310.310 0.110 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N(C)CC[N@H+](C)CCO ZINC001203068346 768547104 /nfs/dbraw/zinc/54/71/04/768547104.db2.gz ROQLMEJQPUMDOO-UHFFFAOYSA-N 1 0 311.342 0.108 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ccc2cccc([N+](=O)[O-])c2n1 ZINC001154766151 770288160 /nfs/dbraw/zinc/28/81/60/770288160.db2.gz UTXCKKAMEUSLRI-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc([N+](=O)[O-])cc1N ZINC001155084458 770392482 /nfs/dbraw/zinc/39/24/82/770392482.db2.gz QEWKTWIIQLYIIO-UHFFFAOYSA-N 1 0 306.282 0.393 20 5 DCBDRO COc1cnc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)c([N+](=O)[O-])c1 ZINC001155372695 770479560 /nfs/dbraw/zinc/47/95/60/770479560.db2.gz IZCHHRVRAPWGCW-GFCCVEGCSA-N 1 0 321.381 0.858 20 5 DCBDRO COC(=O)c1ccnc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001155483803 770519399 /nfs/dbraw/zinc/51/93/99/770519399.db2.gz UANQOCZHBZKLOK-FBIMIBRVSA-N 1 0 322.321 0.423 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)n1 ZINC001155509661 770528962 /nfs/dbraw/zinc/52/89/62/770528962.db2.gz FXUVPHUDRKRCEV-SZEHBUNVSA-N 1 0 308.294 0.175 20 5 DCBDRO COc1ncnc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155623558 770569082 /nfs/dbraw/zinc/56/90/82/770569082.db2.gz TXEMKULAPVMXHB-NOZJJQNGSA-N 1 0 309.326 0.716 20 5 DCBDRO CC(C)[C@](C)(Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)C(N)=O ZINC001156651414 770886670 /nfs/dbraw/zinc/88/66/70/770886670.db2.gz NDLRBBREUDWSGZ-ZDUSSCGKSA-N 1 0 308.342 0.384 20 5 DCBDRO COc1nc(N2C[C@H]3[C@H](C2)CCC[N@@H+]3C)nc(OC)c1[N+](=O)[O-] ZINC001157266827 771570826 /nfs/dbraw/zinc/57/08/26/771570826.db2.gz XUWFHFKABGSUJS-UWVGGRQHSA-N 1 0 323.353 0.932 20 5 DCBDRO COc1nc(N2CC[C@](F)(C[NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001157813032 771675872 /nfs/dbraw/zinc/67/58/72/771675872.db2.gz OFQZHZNQKBDUSC-NSHDSACASA-N 1 0 301.278 0.279 20 5 DCBDRO COc1nc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158258440 771748371 /nfs/dbraw/zinc/74/83/71/771748371.db2.gz ZABJVQACKRQVBV-SNVBAGLBSA-N 1 0 322.369 0.395 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001158638581 771799239 /nfs/dbraw/zinc/79/92/39/771799239.db2.gz STNOSTUNPRSDJS-RISCZKNCSA-N 1 0 324.312 0.860 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001158643781 771800352 /nfs/dbraw/zinc/80/03/52/771800352.db2.gz WKALTFATUWJYDU-RISCZKNCSA-N 1 0 321.337 0.425 20 5 DCBDRO CO[C@@H]1CN(c2cc(/C=C/N(C)C)c([N+](=O)[O-])cn2)C[C@@H]1[NH3+] ZINC001158710280 771811536 /nfs/dbraw/zinc/81/15/36/771811536.db2.gz ATMOTARKYMIISZ-SOHMCZBRSA-N 1 0 307.354 0.684 20 5 DCBDRO COC(=O)c1cnc(N[C@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001159499667 771920150 /nfs/dbraw/zinc/92/01/50/771920150.db2.gz UORMEALZGIACEJ-LDYMZIIASA-N 1 0 310.310 0.565 20 5 DCBDRO [NH3+]CCN(CCNc1cc(Cl)cc([N+](=O)[O-])n1)N(O)N=O ZINC001161087073 772165051 /nfs/dbraw/zinc/16/50/51/772165051.db2.gz HALBRXYOOIQMEE-UHFFFAOYSA-N 1 0 319.709 0.603 20 5 DCBDRO COc1nc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001161462604 772227508 /nfs/dbraw/zinc/22/75/08/772227508.db2.gz BQRRJHLKSZZVSF-LLVKDONJSA-N 1 0 322.369 0.632 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cn[nH]n1 ZINC001161690537 772265926 /nfs/dbraw/zinc/26/59/26/772265926.db2.gz DNAPCCKONYJGCR-UHFFFAOYSA-N 1 0 304.310 0.623 20 5 DCBDRO COCCC1([NH3+])CCN(c2ncnc(OC)c2[N+](=O)[O-])CC1 ZINC001162042111 772318326 /nfs/dbraw/zinc/31/83/26/772318326.db2.gz VECUBWHRGQQJIA-UHFFFAOYSA-N 1 0 311.342 0.728 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ccc2ncccc2c1[N+](=O)[O-] ZINC001162128604 772330166 /nfs/dbraw/zinc/33/01/66/772330166.db2.gz IEJYHICSWBLENG-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1c(C[NH3+])nc2cnccc21 ZINC001162215888 772342070 /nfs/dbraw/zinc/34/20/70/772342070.db2.gz SGXFDYMEYLRRQA-UHFFFAOYSA-N 1 0 300.278 0.729 20 5 DCBDRO CNc1cc([N+](=O)[O-])cnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017387 772444557 /nfs/dbraw/zinc/44/45/57/772444557.db2.gz WZXATGUFOZLFQX-UHFFFAOYSA-N 1 0 318.341 0.728 20 5 DCBDRO O=[N+]([O-])c1cnc2cccc(NC[C@@H]3CO[C@@H]4C[NH2+]C[C@H]34)n21 ZINC001163111814 772465054 /nfs/dbraw/zinc/46/50/54/772465054.db2.gz VODDNMDJXMZCBI-GMTAPVOTSA-N 1 0 303.322 0.889 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1F ZINC001163310663 772504184 /nfs/dbraw/zinc/50/41/84/772504184.db2.gz NLACNVWURZXSCI-TVQRCGJNSA-N 1 0 312.301 0.690 20 5 DCBDRO Cc1nn[nH]c1C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001163739615 772564421 /nfs/dbraw/zinc/56/44/21/772564421.db2.gz AXDYMFUQYMIILY-UHFFFAOYSA-N 1 0 318.337 0.931 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(N(CC[NH3+])CCO)cc1OC ZINC001163837265 772580506 /nfs/dbraw/zinc/58/05/06/772580506.db2.gz XOXNXPMIYHCGSA-UHFFFAOYSA-N 1 0 313.310 0.147 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC([NH2+][C@H]3CCOC3)C2)c1 ZINC001164234476 772629209 /nfs/dbraw/zinc/62/92/09/772629209.db2.gz PFOVJYAZPMUKQW-NSHDSACASA-N 1 0 321.333 0.949 20 5 DCBDRO COC(=O)c1ccnc(-n2cnc3c2C[NH2+]CC3)c1[N+](=O)[O-] ZINC001164313479 772644861 /nfs/dbraw/zinc/64/48/61/772644861.db2.gz JMCUOUJTKQUNKF-UHFFFAOYSA-N 1 0 303.278 0.608 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1N1CC(=O)NC2(CC[NH2+]CC2)C1 ZINC001165253222 772711243 /nfs/dbraw/zinc/71/12/43/772711243.db2.gz ZCWLEHDMPLNXKC-UHFFFAOYSA-N 1 0 305.338 0.357 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC001165293410 772719328 /nfs/dbraw/zinc/71/93/28/772719328.db2.gz YDQWZAOUIQFNGC-GHMZBOCLSA-N 1 0 323.353 0.517 20 5 DCBDRO COc1nc(N2C[C@H](CF)[C@@H](C3([NH3+])CC3)C2)ncc1[N+](=O)[O-] ZINC001165427676 772735619 /nfs/dbraw/zinc/73/56/19/772735619.db2.gz QZECAIXALABFNT-IUCAKERBSA-N 1 0 311.317 0.907 20 5 DCBDRO NC(=O)C1(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001165595894 772748174 /nfs/dbraw/zinc/74/81/74/772748174.db2.gz FIFVFZOFKZHERZ-UHFFFAOYSA-N 1 0 320.349 0.456 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1(CF)CC1 ZINC001166354476 772804405 /nfs/dbraw/zinc/80/44/05/772804405.db2.gz BOXDPZLLWUAELA-UHFFFAOYSA-N 1 0 313.333 0.674 20 5 DCBDRO CC(C)OCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205229439 772984357 /nfs/dbraw/zinc/98/43/57/772984357.db2.gz BZQOJJJQMZFDII-ZIAGYGMSSA-N 1 0 313.398 0.905 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc2ccccc2[nH]c1=O ZINC001211361900 773795430 /nfs/dbraw/zinc/79/54/30/773795430.db2.gz XQTQPBBQTXOLAF-LLVKDONJSA-O 1 0 320.369 0.836 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Nc3ccncc3[N+](=O)[O-])[C@@H]2C1 ZINC001215998195 774098300 /nfs/dbraw/zinc/09/83/00/774098300.db2.gz XVFIFBLLQAIJIC-HBNTYKKESA-N 1 0 305.338 0.873 20 5 DCBDRO Nc1ccc2n(C(=O)CNCC[NH3+])c3ccccc3cc-2c1=O ZINC001219255847 774424782 /nfs/dbraw/zinc/42/47/82/774424782.db2.gz MPMSFQRPJUFGNF-UHFFFAOYSA-N 1 0 310.357 0.877 20 5 DCBDRO CC(=O)N1CCC[C@@H](COC(=O)C[C@@H](O)C[N+](C)(C)C)C1 ZINC001225176893 775652439 /nfs/dbraw/zinc/65/24/39/775652439.db2.gz QKBQKABBAMTOMN-ZIAGYGMSSA-N 1 0 301.407 0.245 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=S)nc2nc[nH]c21 ZINC001227612866 775989915 /nfs/dbraw/zinc/98/99/15/775989915.db2.gz KTXJTUHHIAQSOV-SSDOTTSWSA-O 1 0 312.375 0.004 20 5 DCBDRO COC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc1C ZINC001228705926 776116566 /nfs/dbraw/zinc/11/65/66/776116566.db2.gz PHYSBRJPYQXAIU-LLVKDONJSA-N 1 0 311.358 0.539 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001246155009 945350141 /nfs/dbraw/zinc/35/01/41/945350141.db2.gz WGZCQMSLUJDERC-OSAQELSMSA-N 1 0 302.334 0.230 20 5 DCBDRO COc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001483008089 941773296 /nfs/dbraw/zinc/77/32/96/941773296.db2.gz RYSYDXZOIZXLPG-LLGAQUFESA-N 1 0 320.349 0.517 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CNCCN1)CC2 ZINC001246493911 945419153 /nfs/dbraw/zinc/41/91/53/945419153.db2.gz GTLSNDDKBYGNQH-CABCVRRESA-N 1 0 304.394 0.993 20 5 DCBDRO COc1ccc(C[C@@H](C)N2C[C@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246587946 945438756 /nfs/dbraw/zinc/43/87/56/945438756.db2.gz XALICRNAWAAAKH-GMXABZIVSA-N 1 0 309.366 0.786 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H](N1CCNC[C@@]13CC[NH2+]C3)C2 ZINC001246626222 945446040 /nfs/dbraw/zinc/44/60/40/945446040.db2.gz SMPVAOUYPIQJOU-CVEARBPZSA-N 1 0 302.378 0.699 20 5 DCBDRO CC(=O)N[C@@H](CC[NH3+])c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001247643466 945566448 /nfs/dbraw/zinc/56/64/48/945566448.db2.gz MXOLWAPWLAXNPN-QMMMGPOBSA-N 1 0 324.272 0.705 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CN[C@@H]2CC[NH2+]C2)n1 ZINC001247696953 945567792 /nfs/dbraw/zinc/56/77/92/945567792.db2.gz ASWJTIFNJQCZDE-MRVPVSSYSA-N 1 0 308.273 0.630 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001247945817 945584409 /nfs/dbraw/zinc/58/44/09/945584409.db2.gz IPUPWTQQKAIQPH-JMCQJSRRSA-N 1 0 307.241 0.766 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001320435645 945875788 /nfs/dbraw/zinc/87/57/88/945875788.db2.gz XDNXJGZOTNJXSG-UHFFFAOYSA-N 1 0 324.385 0.038 20 5 DCBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001322682478 946769443 /nfs/dbraw/zinc/76/94/43/946769443.db2.gz XFWGLPLUZQOHML-QWHCGFSZSA-N 1 0 324.385 0.963 20 5 DCBDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC001322712787 946779575 /nfs/dbraw/zinc/77/95/75/946779575.db2.gz JITRDCQLYSKOSY-NWDGAFQWSA-N 1 0 309.322 0.688 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC001261637495 947382918 /nfs/dbraw/zinc/38/29/18/947382918.db2.gz VSYCVTNFFWVUBT-AWEZNQCLSA-N 1 0 322.365 0.163 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CCc3cncn3C2)c1[N+](=O)[O-] ZINC001261909239 947482462 /nfs/dbraw/zinc/48/24/62/947482462.db2.gz NGHGIRRKUJMTIS-SECBINFHSA-N 1 0 304.310 0.578 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCC[NH2+]C1CC1 ZINC001325378693 947773142 /nfs/dbraw/zinc/77/31/42/947773142.db2.gz GZTCXBMVMKXTBK-UHFFFAOYSA-N 1 0 320.349 0.421 20 5 DCBDRO C[N@@H+]1CCC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001325498838 947816616 /nfs/dbraw/zinc/81/66/16/947816616.db2.gz AFSSITWIDUPLSI-LBPRGKRZSA-N 1 0 320.349 0.421 20 5 DCBDRO Cc1cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC001179525520 947854613 /nfs/dbraw/zinc/85/46/13/947854613.db2.gz OMMJAHIKVGUDBW-HUUCEWRRSA-N 1 0 320.349 0.821 20 5 DCBDRO COC[C@@](C)(CC(=O)OC)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC001191802393 947990853 /nfs/dbraw/zinc/99/08/53/947990853.db2.gz VALIBNJDNDHPBU-CYBMUJFWSA-N 1 0 314.342 0.658 20 5 DCBDRO Cc1noc(CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC001326146873 948069787 /nfs/dbraw/zinc/06/97/87/948069787.db2.gz MMJUMKBMRDZNGU-LLVKDONJSA-N 1 0 310.314 0.066 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCC[C@H]1CCC[NH2+]1 ZINC001327120953 948401050 /nfs/dbraw/zinc/40/10/50/948401050.db2.gz JZZBTVTYVDWDAW-LLVKDONJSA-N 1 0 308.338 0.405 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC001328843454 949131845 /nfs/dbraw/zinc/13/18/45/949131845.db2.gz LLFHELAYLGWJCH-LLVKDONJSA-N 1 0 309.322 0.859 20 5 DCBDRO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001329647483 949748481 /nfs/dbraw/zinc/74/84/81/949748481.db2.gz OUKYOSDVRPMBSR-TUKIKUTGSA-N 1 0 316.361 0.851 20 5 DCBDRO C[C@@H]1CC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC001330019314 950062426 /nfs/dbraw/zinc/06/24/26/950062426.db2.gz JANDMTPQGIBRRG-PWSUYJOCSA-N 1 0 320.349 0.468 20 5 DCBDRO C[N@H+](CCCNC(=O)c1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001490263394 950521420 /nfs/dbraw/zinc/52/14/20/950521420.db2.gz BPXLBBFWDJTQAC-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO C[NH+](C)CCONC(=O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001331186845 951001342 /nfs/dbraw/zinc/00/13/42/951001342.db2.gz KZJSPBONNBXCGX-UHFFFAOYSA-N 1 0 311.323 0.823 20 5 DCBDRO CN(CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-])C(=O)CC(N)=O ZINC001280794742 951091359 /nfs/dbraw/zinc/09/13/59/951091359.db2.gz XDLLMYLWCYYLHD-UHFFFAOYSA-N 1 0 322.365 0.751 20 5 DCBDRO CCn1c(CCC[N+](=O)[O-])nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001339233255 953082873 /nfs/dbraw/zinc/08/28/73/953082873.db2.gz JICGACBBVOMZMU-SWLSCSKDSA-N 1 0 322.413 0.895 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342331146 953284243 /nfs/dbraw/zinc/28/42/43/953284243.db2.gz IDPHVDCNFYCIAW-CYBMUJFWSA-N 1 0 307.350 0.710 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC001343057255 953320722 /nfs/dbraw/zinc/32/07/22/953320722.db2.gz XRPKUOMISBSOPF-CQSZACIVSA-N 1 0 307.350 0.974 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001343103413 953322254 /nfs/dbraw/zinc/32/22/54/953322254.db2.gz ICVUGCMELUUQNC-CQSZACIVSA-N 1 0 307.350 0.974 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001343682286 953364318 /nfs/dbraw/zinc/36/43/18/953364318.db2.gz XLABNHDGYLGXSC-CQSZACIVSA-N 1 0 307.354 0.926 20 5 DCBDRO NC(=O)C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001316620860 953606526 /nfs/dbraw/zinc/60/65/26/953606526.db2.gz STXSBVDLHVUKSO-OTSSQURYSA-N 1 0 312.351 0.126 20 5 DCBDRO COc1ccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001347921555 954179606 /nfs/dbraw/zinc/17/96/06/954179606.db2.gz SFNGZDVKXCLANF-OAHLLOKOSA-N 1 0 323.349 0.742 20 5 DCBDRO C[C@H]([NH3+])CONC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001357725252 957367411 /nfs/dbraw/zinc/36/74/11/957367411.db2.gz JJLPEYQUKVEHAU-QMMMGPOBSA-N 1 0 306.282 0.184 20 5 DCBDRO Cn1cc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)nn1 ZINC001308149461 960168001 /nfs/dbraw/zinc/16/80/01/960168001.db2.gz DLHZTTDVKIPZGK-LLVKDONJSA-N 1 0 305.342 0.799 20 5 DCBDRO O=C1NCCC2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)O1 ZINC001308126551 960168320 /nfs/dbraw/zinc/16/83/20/960168320.db2.gz OWBAGFKXQDRRPI-UHFFFAOYSA-N 1 0 309.326 0.756 20 5 DCBDRO COc1ncccc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001316822969 960357027 /nfs/dbraw/zinc/35/70/27/960357027.db2.gz AGOBKKZCNNPAOV-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO Nc1c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001472080639 1016721840 /nfs/dbraw/zinc/72/18/40/1016721840.db2.gz VAIFOXBDMDJUKL-SECBINFHSA-N 1 0 306.322 0.380 20 5 DCBDRO C[C@](CO)([NH2+]CCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001473713618 1016960042 /nfs/dbraw/zinc/96/00/42/1016960042.db2.gz CAVHAMIXMPZAQA-OAHLLOKOSA-N 1 0 307.350 0.918 20 5 DCBDRO COC(=O)c1cn(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC001474523098 1017019933 /nfs/dbraw/zinc/01/99/33/1017019933.db2.gz VRVLSBRFJBHCPX-UHFFFAOYSA-N 1 0 319.321 0.805 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC001520421294 1017274553 /nfs/dbraw/zinc/27/45/53/1017274553.db2.gz AFWDDTVFTPQYSV-CQSZACIVSA-N 1 0 311.313 0.873 20 5 DCBDRO C[C@@](CO)([NH2+]CCCS(N)(=O)=O)c1cccc([N+](=O)[O-])c1 ZINC001560066178 1012438215 /nfs/dbraw/zinc/43/82/15/1012438215.db2.gz KYBADNJGDMXDEY-LBPRGKRZSA-N 1 0 317.367 0.071 20 5 DCBDRO Nc1ncc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC001544953601 1012550337 /nfs/dbraw/zinc/55/03/37/1012550337.db2.gz WVGFTHYAVRDOQY-SECBINFHSA-N 1 0 305.338 0.786 20 5 DCBDRO O=C(C1CC1)N(CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001501429151 1019162921 /nfs/dbraw/zinc/16/29/21/1019162921.db2.gz DZTZYBSPHMJPNP-UHFFFAOYSA-N 1 0 307.350 0.915 20 5 DCBDRO CCn1nncc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001501950823 1019585153 /nfs/dbraw/zinc/58/51/53/1019585153.db2.gz QEXHHWARJDYBTP-VXGBXAGGSA-N 1 0 322.369 0.092 20 5 DCBDRO CNC(=O)c1ccc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000278729782 214360480 /nfs/dbraw/zinc/36/04/80/214360480.db2.gz KWEKSEVLFDHBNO-TXEJJXNPSA-N 1 0 304.350 0.952 20 5 DCBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090321822 185290889 /nfs/dbraw/zinc/29/08/89/185290889.db2.gz FDKILOJKVXPHRR-TXEJJXNPSA-N 1 0 311.363 0.576 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415336809 529730107 /nfs/dbraw/zinc/73/01/07/529730107.db2.gz RPFVCGVBFNASJF-SNVBAGLBSA-N 1 0 306.322 0.574 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272634814 210036867 /nfs/dbraw/zinc/03/68/67/210036867.db2.gz XKLOWKJSLCQPST-WCQYABFASA-N 1 0 322.369 0.527 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173712560 198243286 /nfs/dbraw/zinc/24/32/86/198243286.db2.gz JQVBQPUFDDDOEJ-UHFFFAOYSA-N 1 0 320.393 0.891 20 5 DCBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000163970811 291247103 /nfs/dbraw/zinc/24/71/03/291247103.db2.gz YHPJHSKUSWDCGN-JTQLQIEISA-N 1 0 311.342 0.501 20 5 DCBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566119784 291271754 /nfs/dbraw/zinc/27/17/54/291271754.db2.gz DBEJRHMGNKZZPE-GWCFXTLKSA-N 1 0 308.342 0.107 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496170 291308955 /nfs/dbraw/zinc/30/89/55/291308955.db2.gz PFBAHRYNBOLLFD-RYUDHWBXSA-N 1 0 320.349 0.217 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)c2ccccc2)c1 ZINC000271813114 209238193 /nfs/dbraw/zinc/23/81/93/209238193.db2.gz UPQCHBFZXDQLSB-GJZGRUSLSA-N 1 0 320.349 0.866 20 5 DCBDRO [NH3+]C1(CNC(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCC1 ZINC000566971749 291331352 /nfs/dbraw/zinc/33/13/52/291331352.db2.gz VCFBBZUBEJLMJJ-UHFFFAOYSA-N 1 0 307.306 0.977 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000422740467 240181605 /nfs/dbraw/zinc/18/16/05/240181605.db2.gz BWCSXNXMJTWSJM-NSHDSACASA-N 1 0 306.322 0.111 20 5 DCBDRO [NH3+]CC1(O)CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000567109557 291337706 /nfs/dbraw/zinc/33/77/06/291337706.db2.gz PSQQIRHCGMYZAQ-UHFFFAOYSA-N 1 0 309.322 0.286 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COCc2ccccc2)c1 ZINC000567378192 291352152 /nfs/dbraw/zinc/35/21/52/291352152.db2.gz RYFMJAIJTVZQRU-OAHLLOKOSA-N 1 0 320.349 0.959 20 5 DCBDRO C[C@@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[NH2+]C1 ZINC000567491950 291357908 /nfs/dbraw/zinc/35/79/08/291357908.db2.gz GPDCTBIJHOFDIF-CQSZACIVSA-N 1 0 307.354 0.954 20 5 DCBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(C)C ZINC000567872805 291386449 /nfs/dbraw/zinc/38/64/49/291386449.db2.gz HOIXSIIRZBNSQI-FRRDWIJNSA-N 1 0 300.359 0.537 20 5 DCBDRO CCn1ccnc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567892401 291388462 /nfs/dbraw/zinc/38/84/62/291388462.db2.gz VUXANLOMTXUNQN-JQWIXIFHSA-N 1 0 308.342 0.719 20 5 DCBDRO COc1cc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000264758181 204133513 /nfs/dbraw/zinc/13/35/13/204133513.db2.gz NSZCIDKJGAPPKA-LBPRGKRZSA-N 1 0 322.365 0.579 20 5 DCBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000288509281 220188321 /nfs/dbraw/zinc/18/83/21/220188321.db2.gz SPRSBUPQIFHYCA-VXGBXAGGSA-N 1 0 307.354 0.877 20 5 DCBDRO O=C([C@@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237950139 284492704 /nfs/dbraw/zinc/49/27/04/284492704.db2.gz WFGPFAMQAIJAKR-GFCCVEGCSA-N 1 0 304.350 0.853 20 5 DCBDRO CN(C)C(=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573676257 291647174 /nfs/dbraw/zinc/64/71/74/291647174.db2.gz HXCGDCOEVIHLCL-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000415303643 533029825 /nfs/dbraw/zinc/02/98/25/533029825.db2.gz SQIRLJYVCPQCOU-JTQLQIEISA-N 1 0 306.322 0.662 20 5 DCBDRO COC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272895884 210285052 /nfs/dbraw/zinc/28/50/52/210285052.db2.gz BVVJBUIKOPJBDJ-JTQLQIEISA-N 1 0 302.352 0.993 20 5 DCBDRO [NH3+][C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000346092962 254008300 /nfs/dbraw/zinc/00/83/00/254008300.db2.gz NLFXORYSQFLORW-LBPRGKRZSA-N 1 0 304.350 0.907 20 5 DCBDRO NC(=O)c1ccc(C[NH+]2[C@H](CO)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000347349581 254150345 /nfs/dbraw/zinc/15/03/45/254150345.db2.gz WFGGIJXUSHBOEK-RYUDHWBXSA-N 1 0 309.322 0.011 20 5 DCBDRO COC(=O)c1cnc(N2CCC([NH2+]CCO)CC2)c([N+](=O)[O-])c1 ZINC000276853365 130553486 /nfs/dbraw/zinc/55/34/86/130553486.db2.gz YBCZISTVUCLRSV-UHFFFAOYSA-N 1 0 324.337 0.327 20 5 DCBDRO C[C@@]1(C(N)=O)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000280874577 130822779 /nfs/dbraw/zinc/82/27/79/130822779.db2.gz ZTOGKQMDXZFWHR-XHDPSFHLSA-N 1 0 323.349 0.532 20 5 DCBDRO COc1ccc(NC(=O)CN2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000096525853 395754332 /nfs/dbraw/zinc/75/43/32/395754332.db2.gz NWWDGUAIVOAFMW-JTQLQIEISA-N 1 0 308.338 0.836 20 5 DCBDRO CS(=O)(=O)c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000107571216 395785677 /nfs/dbraw/zinc/78/56/77/395785677.db2.gz ILUMNXVUONRMAD-UWVGGRQHSA-N 1 0 311.363 0.654 20 5 DCBDRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000118094014 395858827 /nfs/dbraw/zinc/85/88/27/395858827.db2.gz RWZYAKUVSYOLEQ-UHFFFAOYSA-N 1 0 314.729 0.865 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000052093599 395859126 /nfs/dbraw/zinc/85/91/26/395859126.db2.gz ZSTNYEHAXNSKOK-QMMMGPOBSA-N 1 0 301.324 0.244 20 5 DCBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000195302474 395823821 /nfs/dbraw/zinc/82/38/21/395823821.db2.gz KPADSNUWPXNECC-TXEJJXNPSA-N 1 0 311.363 0.576 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C)[NH+](C)C ZINC000047639030 395798449 /nfs/dbraw/zinc/79/84/49/395798449.db2.gz LESJGLYLFCRBMX-QWRGUYRKSA-N 1 0 322.365 0.779 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@H](C)C[NH3+] ZINC000237190410 395906330 /nfs/dbraw/zinc/90/63/30/395906330.db2.gz BGROKYBDBPIAPG-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO COc1cc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000237228511 395907908 /nfs/dbraw/zinc/90/79/08/395907908.db2.gz HLUVGPQGHBMTIX-MRVPVSSYSA-N 1 0 301.324 0.325 20 5 DCBDRO CNS(=O)(=O)c1ccc(NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053255172 395879260 /nfs/dbraw/zinc/87/92/60/395879260.db2.gz BTLLXFJUZGICSA-SECBINFHSA-N 1 0 314.367 0.667 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CN(C)CCO1 ZINC000134989689 395936386 /nfs/dbraw/zinc/93/63/86/395936386.db2.gz OAASGDGIWIAZPE-JOYOIKCWSA-N 1 0 308.338 0.626 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CN(C)CCO1 ZINC000134989669 395936407 /nfs/dbraw/zinc/93/64/07/395936407.db2.gz OAASGDGIWIAZPE-SKDRFNHKSA-N 1 0 308.338 0.626 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000274625892 395963135 /nfs/dbraw/zinc/96/31/35/395963135.db2.gz HABOEKALZUXVSI-UHFFFAOYSA-N 1 0 324.381 0.751 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000274766542 395974771 /nfs/dbraw/zinc/97/47/71/395974771.db2.gz JCQGYUSVUDVDKQ-NSHDSACASA-N 1 0 308.338 0.583 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000154030080 396029551 /nfs/dbraw/zinc/02/95/51/396029551.db2.gz DBXSIEFGNMESNX-GFCCVEGCSA-N 1 0 309.370 0.898 20 5 DCBDRO C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C(N)=O)O1 ZINC000154452565 396038782 /nfs/dbraw/zinc/03/87/82/396038782.db2.gz QESPYZGFLCPDHY-JIMOISOXSA-N 1 0 309.322 0.203 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000261634314 396051251 /nfs/dbraw/zinc/05/12/51/396051251.db2.gz DJQFLJOEXPSNTR-AWEZNQCLSA-N 1 0 322.365 0.353 20 5 DCBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000261788785 396066186 /nfs/dbraw/zinc/06/61/86/396066186.db2.gz XOJCUFXNSPZPEQ-JIMOISOXSA-N 1 0 311.363 0.953 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262411107 396137525 /nfs/dbraw/zinc/13/75/25/396137525.db2.gz QNSVEKKUOYZMJT-ZDUSSCGKSA-N 1 0 315.333 0.795 20 5 DCBDRO [NH3+][C@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000261907208 396078147 /nfs/dbraw/zinc/07/81/47/396078147.db2.gz GBEUIHQYDMBXTR-LLVKDONJSA-N 1 0 321.333 0.762 20 5 DCBDRO COC(=O)COc1ccc(CN(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261915669 396078698 /nfs/dbraw/zinc/07/86/98/396078698.db2.gz JWFOLPFUTRBJNQ-LBPRGKRZSA-N 1 0 323.349 0.940 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH2+]CC1 ZINC000262517336 396149895 /nfs/dbraw/zinc/14/98/95/396149895.db2.gz SWAZIHDUTUBWLC-SNVBAGLBSA-N 1 0 320.349 0.581 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000262537669 396152312 /nfs/dbraw/zinc/15/23/12/396152312.db2.gz QFCCCZPDRMFVRG-ZETCQYMHSA-N 1 0 312.351 0.249 20 5 DCBDRO Cc1nn(CCC(=O)NCC[C@H]2CC[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC000262574366 396157724 /nfs/dbraw/zinc/15/77/24/396157724.db2.gz HREZSEMGBHLOMS-GFCCVEGCSA-N 1 0 309.370 0.914 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178525178 396198454 /nfs/dbraw/zinc/19/84/54/396198454.db2.gz OTIKZVQICIMSOJ-QWRGUYRKSA-N 1 0 320.349 0.520 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000263817272 396234113 /nfs/dbraw/zinc/23/41/13/396234113.db2.gz YPKSBOPSOVENRB-UHFFFAOYSA-N 1 0 321.337 0.779 20 5 DCBDRO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000179047182 396219483 /nfs/dbraw/zinc/21/94/83/396219483.db2.gz UGLAIMIVBFASAB-LLVKDONJSA-N 1 0 316.321 0.609 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000077817095 396233957 /nfs/dbraw/zinc/23/39/57/396233957.db2.gz AVJAAEAUANFKPB-LLVKDONJSA-N 1 0 320.349 0.910 20 5 DCBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000083245408 396313847 /nfs/dbraw/zinc/31/38/47/396313847.db2.gz OQYSPRRDKRMNIM-OAHLLOKOSA-N 1 0 309.366 0.720 20 5 DCBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000083418713 396313870 /nfs/dbraw/zinc/31/38/70/396313870.db2.gz OGBJYJMZIXXPIS-NSHDSACASA-N 1 0 300.384 0.980 20 5 DCBDRO C[NH+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000185376471 396326135 /nfs/dbraw/zinc/32/61/35/396326135.db2.gz VTBUFHCZFCYGEZ-UHFFFAOYSA-N 1 0 324.362 0.983 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000267186022 396354595 /nfs/dbraw/zinc/35/45/95/396354595.db2.gz WHQJZAIRNIQOOV-UHFFFAOYSA-N 1 0 307.350 0.710 20 5 DCBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000288423973 396446983 /nfs/dbraw/zinc/44/69/83/396446983.db2.gz NXQUNSPWKOTDAL-VXGBXAGGSA-N 1 0 307.354 0.877 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289280907 396458094 /nfs/dbraw/zinc/45/80/94/396458094.db2.gz QBWIMMGUMYNNBJ-CQSZACIVSA-N 1 0 307.354 0.702 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290850016 396474080 /nfs/dbraw/zinc/47/40/80/396474080.db2.gz XGAVCUAJHIZCFB-KCJUWKMLSA-N 1 0 305.338 0.983 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000519603294 396519911 /nfs/dbraw/zinc/51/99/11/396519911.db2.gz HQENLGIJDYLZMU-BDAKNGLRSA-N 1 0 324.337 0.784 20 5 DCBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506438 396618995 /nfs/dbraw/zinc/61/89/95/396618995.db2.gz CHEYJHDBYCGYDQ-HUUCEWRRSA-N 1 0 323.397 0.570 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1[N+](=O)[O-] ZINC000293656252 396623686 /nfs/dbraw/zinc/62/36/86/396623686.db2.gz KXUCADDCOJRISA-NXEZZACHSA-N 1 0 311.342 0.153 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CNC1(CO)CC[NH2+]CC1 ZINC000595901708 396679517 /nfs/dbraw/zinc/67/95/17/396679517.db2.gz HURLHIXMLWHIMO-UHFFFAOYSA-N 1 0 322.365 0.546 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595923445 396683327 /nfs/dbraw/zinc/68/33/27/396683327.db2.gz VGWFLSABBCSMQA-MFKMUULPSA-N 1 0 308.338 0.487 20 5 DCBDRO COCC[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000562945909 396686869 /nfs/dbraw/zinc/68/68/69/396686869.db2.gz CYXBVMCZQABLHY-AWEZNQCLSA-N 1 0 311.382 0.966 20 5 DCBDRO Cn1cc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000562986531 396690423 /nfs/dbraw/zinc/69/04/23/396690423.db2.gz YSZORURZSODBTO-CYBMUJFWSA-N 1 0 320.349 0.900 20 5 DCBDRO O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000295510228 396698318 /nfs/dbraw/zinc/69/83/18/396698318.db2.gz PVLGHTWSZUENNE-SNVBAGLBSA-N 1 0 324.337 0.272 20 5 DCBDRO COC(=O)c1cc(C(=O)N[C@@]2(C)CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000595990685 396703849 /nfs/dbraw/zinc/70/38/49/396703849.db2.gz CAWATFCQNVJAEK-AWEZNQCLSA-N 1 0 307.306 0.863 20 5 DCBDRO Cc1noc(CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)c1[N+](=O)[O-] ZINC000596071858 396714728 /nfs/dbraw/zinc/71/47/28/396714728.db2.gz UEQDAMKLLFNNKX-GFCCVEGCSA-N 1 0 309.282 0.065 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596104254 396717786 /nfs/dbraw/zinc/71/77/86/396717786.db2.gz IQPCRDGQQGGCPJ-SNVBAGLBSA-N 1 0 323.353 0.695 20 5 DCBDRO Cc1nc(N(CC[NH+](C)C)CC(=O)N(C)C)ccc1[N+](=O)[O-] ZINC000596462058 396781819 /nfs/dbraw/zinc/78/18/19/396781819.db2.gz JZQJMNCMOCBHFU-UHFFFAOYSA-N 1 0 309.370 0.754 20 5 DCBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000610571651 396730495 /nfs/dbraw/zinc/73/04/95/396730495.db2.gz ONQIAKYOZPYYGP-UHFFFAOYSA-N 1 0 310.354 0.774 20 5 DCBDRO CCN1CCC([N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304386612 396731234 /nfs/dbraw/zinc/73/12/34/396731234.db2.gz ZUXXMIKHZRSWDK-CQSZACIVSA-N 1 0 311.386 0.568 20 5 DCBDRO CCN1CCC([N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000304386611 396731517 /nfs/dbraw/zinc/73/15/17/396731517.db2.gz ZUXXMIKHZRSWDK-AWEZNQCLSA-N 1 0 311.386 0.568 20 5 DCBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1CCO ZINC000596224279 396735909 /nfs/dbraw/zinc/73/59/09/396735909.db2.gz YPXMBWOIQAKZHW-UHFFFAOYSA-N 1 0 322.365 0.587 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCC[C@H]1O ZINC000305804320 396753348 /nfs/dbraw/zinc/75/33/48/396753348.db2.gz JAJLLMJNZXAFGO-FPMFFAJLSA-N 1 0 312.370 0.635 20 5 DCBDRO C[N@H+](CCOC(C)(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610859706 396771958 /nfs/dbraw/zinc/77/19/58/396771958.db2.gz IZQCXPDTDKFLOX-GFCCVEGCSA-N 1 0 300.359 0.899 20 5 DCBDRO O=c1ccc(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n[nH]1 ZINC000564442230 396832677 /nfs/dbraw/zinc/83/26/77/396832677.db2.gz CHEYXPOPNLOGON-NSHDSACASA-N 1 0 320.305 0.620 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591361244 396909071 /nfs/dbraw/zinc/90/90/71/396909071.db2.gz NSCXPCSRFYOAHY-JTQLQIEISA-N 1 0 308.342 0.169 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3CC[NH2+][C@@H]3C2)n1 ZINC000591437749 396920856 /nfs/dbraw/zinc/92/08/56/396920856.db2.gz KANHBKSCLUXFKF-GXSJLCMTSA-N 1 0 306.322 0.965 20 5 DCBDRO CNc1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600808199 396947868 /nfs/dbraw/zinc/94/78/68/396947868.db2.gz MENDGKQDEIERHZ-NSHDSACASA-N 1 0 308.338 0.433 20 5 DCBDRO CN1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000571743777 396982802 /nfs/dbraw/zinc/98/28/02/396982802.db2.gz QFXRROIXFFKTBV-LBPRGKRZSA-N 1 0 311.317 0.841 20 5 DCBDRO O=C(CC[NH2+]C[C@@H]1COCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000591727788 396992802 /nfs/dbraw/zinc/99/28/02/396992802.db2.gz MXCVPXMHRFQHCT-LLVKDONJSA-N 1 0 309.322 0.928 20 5 DCBDRO CC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000591728399 396992864 /nfs/dbraw/zinc/99/28/64/396992864.db2.gz UGEIRRAOBJUOAW-LLVKDONJSA-N 1 0 317.367 0.234 20 5 DCBDRO CC[C@@H](CN1CCCC1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591742828 396995084 /nfs/dbraw/zinc/99/50/84/396995084.db2.gz JDIXYZMOKJCMBU-GXTWGEPZSA-N 1 0 311.386 0.616 20 5 DCBDRO CC(C)(C(=O)N[C@@H]1CC12CC[NH2+]CC2)n1cc([N+](=O)[O-])cn1 ZINC000591685958 396977487 /nfs/dbraw/zinc/97/74/87/396977487.db2.gz DQDZYRUVEVAQTO-LLVKDONJSA-N 1 0 307.354 0.785 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601346057 397069961 /nfs/dbraw/zinc/06/99/61/397069961.db2.gz LOAVPUYASYLJKF-RYUDHWBXSA-N 1 0 311.363 0.513 20 5 DCBDRO CSc1cccc(C(=O)N[C@@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000597652678 397044863 /nfs/dbraw/zinc/04/48/63/397044863.db2.gz DRRPSIAVOQSWKU-SECBINFHSA-N 1 0 313.379 0.969 20 5 DCBDRO C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597653482 397044967 /nfs/dbraw/zinc/04/49/67/397044967.db2.gz JPBSDNCBOYGKCU-NXEZZACHSA-N 1 0 313.329 0.876 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592306624 397148382 /nfs/dbraw/zinc/14/83/82/397148382.db2.gz CYSJWMKGCXSOQP-MWLCHTKSSA-N 1 0 311.342 0.064 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000592372587 397162774 /nfs/dbraw/zinc/16/27/74/397162774.db2.gz AGLKEYVFPFEXBG-SECBINFHSA-N 1 0 315.351 0.619 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCC[NH3+] ZINC000592372942 397163193 /nfs/dbraw/zinc/16/31/93/397163193.db2.gz KXGPILPUFWWZQH-UHFFFAOYSA-N 1 0 303.340 0.573 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N(C)CCN2CC[NH2+]CC2)c1 ZINC000592469550 397185577 /nfs/dbraw/zinc/18/55/77/397185577.db2.gz UOMPMRRVBAFEAI-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592547653 397207677 /nfs/dbraw/zinc/20/76/77/397207677.db2.gz IYBWCIFWUZZCKY-GFCCVEGCSA-N 1 0 307.306 0.572 20 5 DCBDRO CC(C)[C@@H]1CN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598573802 397250828 /nfs/dbraw/zinc/25/08/28/397250828.db2.gz OTUFYVBEIWSGCB-NSHDSACASA-N 1 0 308.338 0.213 20 5 DCBDRO C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[NH2+]1 ZINC000601981793 397280104 /nfs/dbraw/zinc/28/01/04/397280104.db2.gz YLYTUAICCGARGY-SNVBAGLBSA-N 1 0 308.342 0.020 20 5 DCBDRO [NH3+][C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598913273 397306512 /nfs/dbraw/zinc/30/65/12/397306512.db2.gz HQSUQASPLBDELR-NWDGAFQWSA-N 1 0 318.333 0.919 20 5 DCBDRO Cc1nn(CCC(=O)NCC2CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000574870101 397307201 /nfs/dbraw/zinc/30/72/01/397307201.db2.gz UKSUOPHHWMHUBG-UHFFFAOYSA-N 1 0 309.370 0.914 20 5 DCBDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598916275 397307572 /nfs/dbraw/zinc/30/75/72/397307572.db2.gz WBDOBMDYTSAEET-CQSZACIVSA-N 1 0 306.322 0.731 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000598914448 397307920 /nfs/dbraw/zinc/30/79/20/397307920.db2.gz DXIPWMCQYNTUKS-BXKDBHETSA-N 1 0 306.322 0.729 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2CC[C@H](O)C2)n1 ZINC000599092994 397335051 /nfs/dbraw/zinc/33/50/51/397335051.db2.gz LPPVLBJDGXXRKS-MELADBBJSA-N 1 0 323.397 0.931 20 5 DCBDRO C[C@@H]1[C@@H](C)[N@@H+](C)C[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000593188437 397336521 /nfs/dbraw/zinc/33/65/21/397336521.db2.gz HFSFOCBOWUOVDK-QJPTWQEYSA-N 1 0 322.365 0.696 20 5 DCBDRO CCc1nn(C)c(N2CC(C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000599107312 397338818 /nfs/dbraw/zinc/33/88/18/397338818.db2.gz LDEHHNNDYZYJFJ-UHFFFAOYSA-N 1 0 322.413 0.574 20 5 DCBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCN2CCCS2(=O)=O)cc1 ZINC000405331203 397330953 /nfs/dbraw/zinc/33/09/53/397330953.db2.gz CATOZWKZWXWISM-UHFFFAOYSA-N 1 0 313.379 0.762 20 5 DCBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000602530981 397432088 /nfs/dbraw/zinc/43/20/88/397432088.db2.gz UEVLCYPDYOQQTJ-NSHDSACASA-N 1 0 308.338 0.213 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599694282 397507243 /nfs/dbraw/zinc/50/72/43/397507243.db2.gz PPHBFLCVDGHBBR-LLVKDONJSA-N 1 0 324.337 0.792 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]21 ZINC000599989194 397558054 /nfs/dbraw/zinc/55/80/54/397558054.db2.gz VOBFFHRZKBHNBQ-MSRIBSCDSA-N 1 0 319.317 0.956 20 5 DCBDRO CC[C@H](C[C@H](C)CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579474676 397573009 /nfs/dbraw/zinc/57/30/09/397573009.db2.gz IRQLGLHSLVFYDQ-LOWVWBTDSA-N 1 0 300.359 0.539 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000594359202 397533204 /nfs/dbraw/zinc/53/32/04/397533204.db2.gz ZPYCXTUSNIKQDV-RYUDHWBXSA-N 1 0 309.322 0.350 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000599888192 397534832 /nfs/dbraw/zinc/53/48/32/397534832.db2.gz SCMRISLWRXJZND-UHFFFAOYSA-N 1 0 310.310 0.349 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000599888704 397535674 /nfs/dbraw/zinc/53/56/74/397535674.db2.gz XDXGITYSMNRZQC-UHFFFAOYSA-N 1 0 308.338 0.957 20 5 DCBDRO C[NH2+]CCOCCNC(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599916814 397539650 /nfs/dbraw/zinc/53/96/50/397539650.db2.gz FDXMKTZGWJMHQI-UHFFFAOYSA-N 1 0 310.354 0.938 20 5 DCBDRO Cc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000579972670 397601895 /nfs/dbraw/zinc/60/18/95/397601895.db2.gz FTLDTMASHCWBCK-RYUDHWBXSA-N 1 0 318.333 0.287 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000610447498 397822076 /nfs/dbraw/zinc/82/20/76/397822076.db2.gz QVGCGFHHOCXICR-AWEZNQCLSA-N 1 0 309.370 0.588 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(CCn3cc([N+](=O)[O-])cn3)CC2)C1 ZINC000610453337 397823188 /nfs/dbraw/zinc/82/31/88/397823188.db2.gz NRBHQMHEHSTKSX-CQSZACIVSA-N 1 0 322.413 0.503 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000087384194 158092141 /nfs/dbraw/zinc/09/21/41/158092141.db2.gz MKDLNKNCIJOBBU-JTQLQIEISA-N 1 0 315.351 0.619 20 5 DCBDRO COC[C@@H](O)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129631817 158291366 /nfs/dbraw/zinc/29/13/66/158291366.db2.gz PQUDCROFWYTKKM-MFKMUULPSA-N 1 0 311.338 0.909 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000133205441 158317065 /nfs/dbraw/zinc/31/70/65/158317065.db2.gz HYNFCYCNHRKABS-SECBINFHSA-N 1 0 317.367 0.737 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000359278603 159260655 /nfs/dbraw/zinc/26/06/55/159260655.db2.gz SGHCWQGTJLJFQS-HTQZYQBOSA-N 1 0 303.365 0.496 20 5 DCBDRO CN(C(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000359295401 159263632 /nfs/dbraw/zinc/26/36/32/159263632.db2.gz CLYYNBYPJYSWDC-RYUDHWBXSA-N 1 0 304.350 0.709 20 5 DCBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000368313373 159386631 /nfs/dbraw/zinc/38/66/31/159386631.db2.gz CDQABYDVQCGPIE-UWVGGRQHSA-N 1 0 317.342 0.882 20 5 DCBDRO COCC[NH+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090516501 286935404 /nfs/dbraw/zinc/93/54/04/286935404.db2.gz BZSQVNAANVWCEN-UHFFFAOYSA-N 1 0 310.354 0.021 20 5 DCBDRO CC[C@@]1(CO)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249577637 287114714 /nfs/dbraw/zinc/11/47/14/287114714.db2.gz PYIFDUICIIXYCZ-ZIAGYGMSSA-N 1 0 312.370 0.637 20 5 DCBDRO COC[C@@]1(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CCC[NH2+]1 ZINC000357266542 287204632 /nfs/dbraw/zinc/20/46/32/287204632.db2.gz CRCQEJJOKMXGCT-ZDUSSCGKSA-N 1 0 311.342 0.135 20 5 DCBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H]1CC[NH2+]C1 ZINC000269145982 415249468 /nfs/dbraw/zinc/24/94/68/415249468.db2.gz DDRLAKGSMUXUKD-VIFPVBQESA-N 1 0 307.306 0.800 20 5 DCBDRO [NH3+]C1(CNC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CCC1 ZINC000342593690 415222801 /nfs/dbraw/zinc/22/28/01/415222801.db2.gz AJYSQTWHYQFQRY-UHFFFAOYSA-N 1 0 316.321 0.787 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+]Cc1cc[nH]c1 ZINC000086254497 415507795 /nfs/dbraw/zinc/50/77/95/415507795.db2.gz JRHLDQVOZBEQCK-UHFFFAOYSA-N 1 0 324.362 0.991 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000106921870 415656378 /nfs/dbraw/zinc/65/63/78/415656378.db2.gz ZWCPBNRSUIEHLL-JTQLQIEISA-N 1 0 323.353 0.061 20 5 DCBDRO COc1ccc(C[NH2+]CCCn2cc(CO)nn2)cc1[N+](=O)[O-] ZINC000289870218 415729435 /nfs/dbraw/zinc/72/94/35/415729435.db2.gz OYELIMKJUDFUSQ-UHFFFAOYSA-N 1 0 321.337 0.867 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000121182515 415797422 /nfs/dbraw/zinc/79/74/22/415797422.db2.gz FPJBDNORXHCRKP-AAEUAGOBSA-N 1 0 309.370 0.980 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822607 415826125 /nfs/dbraw/zinc/82/61/25/415826125.db2.gz STUATXDBNKFUDL-MWLCHTKSSA-N 1 0 307.354 0.865 20 5 DCBDRO C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC(=O)N1 ZINC000296163897 415909784 /nfs/dbraw/zinc/90/97/84/415909784.db2.gz KOKDVFHKKSULOT-SECBINFHSA-N 1 0 324.312 0.883 20 5 DCBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000153037425 415975214 /nfs/dbraw/zinc/97/52/14/415975214.db2.gz UUBSYFPBWQZHHV-LLVKDONJSA-N 1 0 310.358 0.575 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000153168114 415976179 /nfs/dbraw/zinc/97/61/79/415976179.db2.gz OIOBHVDNZSTFLI-HNNXBMFYSA-N 1 0 324.381 0.826 20 5 DCBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356739696 415979257 /nfs/dbraw/zinc/97/92/57/415979257.db2.gz OPRJQVOTOPZHKJ-SNVBAGLBSA-N 1 0 313.358 0.415 20 5 DCBDRO CC1CC[NH+](C[C@@H](O)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000301181194 416076947 /nfs/dbraw/zinc/07/69/47/416076947.db2.gz PYIRJSKJDDTNFO-JTQLQIEISA-N 1 0 310.358 0.472 20 5 DCBDRO COC(=O)c1cnc(NC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000357687369 416116818 /nfs/dbraw/zinc/11/68/18/416116818.db2.gz VWEZQBKISXGPKT-ZDUSSCGKSA-N 1 0 310.310 0.255 20 5 DCBDRO CC(C)OCC[NH+]1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176287650 416123776 /nfs/dbraw/zinc/12/37/76/416123776.db2.gz JTZSJAGFXDPTQF-UHFFFAOYSA-N 1 0 311.386 0.834 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358052867 416178326 /nfs/dbraw/zinc/17/83/26/416178326.db2.gz GSLRMOTUANUTSE-AWEZNQCLSA-N 1 0 311.313 0.459 20 5 DCBDRO CC(C)c1n[nH]c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358066875 416185588 /nfs/dbraw/zinc/18/55/88/416185588.db2.gz NIWMEHZTHAEBRP-ZDUSSCGKSA-N 1 0 311.342 0.238 20 5 DCBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C[NH3+])C1 ZINC000358133502 416199454 /nfs/dbraw/zinc/19/94/54/416199454.db2.gz YSVXTFQAXDPLOZ-MFKMUULPSA-N 1 0 308.338 0.581 20 5 DCBDRO [NH3+]C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000358144622 416200731 /nfs/dbraw/zinc/20/07/31/416200731.db2.gz DLEZVRAFMCJCPY-CYBMUJFWSA-N 1 0 320.349 0.143 20 5 DCBDRO COc1ccc(NC(=O)CN2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358141207 416201246 /nfs/dbraw/zinc/20/12/46/416201246.db2.gz WIGSLMNMFLRINS-NSHDSACASA-N 1 0 324.337 0.201 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347421198 416218935 /nfs/dbraw/zinc/21/89/35/416218935.db2.gz YWLLDABBKXLHEM-AWEZNQCLSA-N 1 0 305.338 1.263 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(O)(C(F)F)CC2)c1 ZINC000331137323 416271721 /nfs/dbraw/zinc/27/17/21/416271721.db2.gz JEDXAKBGXJNDDT-JTQLQIEISA-N 1 0 320.296 0.244 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467851 416317606 /nfs/dbraw/zinc/31/76/06/416317606.db2.gz HTOFUTBTIDQAJV-PRHODGIISA-N 1 0 305.338 0.785 20 5 DCBDRO COc1ccc(NC(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415445577 416343181 /nfs/dbraw/zinc/34/31/81/416343181.db2.gz SIVAULQDXLSJHE-SNVBAGLBSA-N 1 0 310.310 0.713 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415444636 416343640 /nfs/dbraw/zinc/34/36/40/416343640.db2.gz VLRXFOSSGSDFLQ-VIFPVBQESA-N 1 0 322.321 0.362 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000415599537 416349014 /nfs/dbraw/zinc/34/90/14/416349014.db2.gz GDJYFYTYJBRKJO-NSHDSACASA-N 1 0 322.321 0.028 20 5 DCBDRO CN(C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000415782055 416353945 /nfs/dbraw/zinc/35/39/45/416353945.db2.gz AEAKSBYJGIOACY-UHFFFAOYSA-N 1 0 310.285 0.621 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]([NH3+])CC ZINC000415779529 416354018 /nfs/dbraw/zinc/35/40/18/416354018.db2.gz HNWJYAGYOOTSGF-JTQLQIEISA-N 1 0 308.338 0.949 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000420268235 416418096 /nfs/dbraw/zinc/41/80/96/416418096.db2.gz HQVJRDJKTFVAQP-SNVBAGLBSA-N 1 0 302.338 0.854 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000423104832 416467220 /nfs/dbraw/zinc/46/72/20/416467220.db2.gz QFIXBCZFUXGPAZ-LLVKDONJSA-N 1 0 320.349 0.374 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000423104827 416468519 /nfs/dbraw/zinc/46/85/19/416468519.db2.gz QDBVBQBJSRPUFB-LBPRGKRZSA-N 1 0 320.349 0.374 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361112200 416421432 /nfs/dbraw/zinc/42/14/32/416421432.db2.gz UFIUBLLPBQWGKB-QWHCGFSZSA-N 1 0 320.349 0.261 20 5 DCBDRO C[C@H](CO)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361500587 416441553 /nfs/dbraw/zinc/44/15/53/416441553.db2.gz GTDDBHCUXFTVKX-RISCZKNCSA-N 1 0 312.370 0.635 20 5 DCBDRO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1[nH]ncc1[N+](=O)[O-] ZINC000423669000 416537020 /nfs/dbraw/zinc/53/70/20/416537020.db2.gz KVDVOLBEPMEUQD-NSHDSACASA-N 1 0 301.306 0.935 20 5 DCBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2C1 ZINC000423494053 416516560 /nfs/dbraw/zinc/51/65/60/416516560.db2.gz CRBDIHKOYQFZRX-QMMMGPOBSA-N 1 0 302.294 0.781 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423502853 416517980 /nfs/dbraw/zinc/51/79/80/416517980.db2.gz FFTKXJMXLOFLPU-LLVKDONJSA-N 1 0 322.365 0.899 20 5 DCBDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423846108 416574953 /nfs/dbraw/zinc/57/49/53/416574953.db2.gz NOJAPGLNDMBBKA-JTQLQIEISA-N 1 0 315.713 0.755 20 5 DCBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)Cn1ccnn1 ZINC000514951494 416685269 /nfs/dbraw/zinc/68/52/69/416685269.db2.gz LOUJCLWSGCAFRW-GXFFZTMASA-N 1 0 303.322 0.824 20 5 DCBDRO O=C1CO[C@H]2CCN(Cc3cc(F)ccc3[N+](=O)[O-])C[C@@H]2N1 ZINC000366806747 416638029 /nfs/dbraw/zinc/63/80/29/416638029.db2.gz LPYARPURSCYYGK-AAEUAGOBSA-N 1 0 309.297 0.823 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000440806542 416650015 /nfs/dbraw/zinc/65/00/15/416650015.db2.gz HXYZNSFWVOBFKP-IUCAKERBSA-N 1 0 317.371 0.182 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000440808757 416650124 /nfs/dbraw/zinc/65/01/24/416650124.db2.gz LDOUSFTVMLSURW-IUCAKERBSA-N 1 0 317.371 0.088 20 5 DCBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@H]21 ZINC000548714574 416691976 /nfs/dbraw/zinc/69/19/76/416691976.db2.gz XXDSEARAUUIWQS-CMPLNLGQSA-N 1 0 319.365 1.128 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCn2ccnc2)c1 ZINC000558060852 416761309 /nfs/dbraw/zinc/76/13/09/416761309.db2.gz QZRSEKYRNZCFCS-CYBMUJFWSA-N 1 0 306.322 0.821 20 5 DCBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000426972401 416791387 /nfs/dbraw/zinc/79/13/87/416791387.db2.gz GBEDECAICUGJIV-LLVKDONJSA-N 1 0 310.358 0.527 20 5 DCBDRO Cc1ccc(NCCC[NH2+]CCC(=O)NC(N)=O)c([N+](=O)[O-])c1 ZINC000518965892 416883275 /nfs/dbraw/zinc/88/32/75/416883275.db2.gz YXNPSTKCHNDOAX-UHFFFAOYSA-N 1 0 323.353 0.880 20 5 DCBDRO CNc1nccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000561224907 416858630 /nfs/dbraw/zinc/85/86/30/416858630.db2.gz IGODPFZKHTZSPS-SNVBAGLBSA-N 1 0 307.354 1.198 20 5 DCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000564978817 416901960 /nfs/dbraw/zinc/90/19/60/416901960.db2.gz GPRVUBJLEOPFAF-NXEZZACHSA-N 1 0 308.338 0.453 20 5 DCBDRO CC[N@H+](C)C[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000565162589 416933088 /nfs/dbraw/zinc/93/30/88/416933088.db2.gz JEYQNQBUSFEJLX-CQSZACIVSA-N 1 0 323.397 0.424 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447919403 417041711 /nfs/dbraw/zinc/04/17/11/417041711.db2.gz DYIXVJBSSJNEDX-KGLIPLIRSA-N 1 0 323.349 0.971 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430721621 287350612 /nfs/dbraw/zinc/35/06/12/287350612.db2.gz LUBVDFGOPHIURJ-NSHDSACASA-N 1 0 309.370 0.994 20 5 DCBDRO Nc1c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000449661991 417160479 /nfs/dbraw/zinc/16/04/79/417160479.db2.gz KAZHMEOCEWVBPU-SECBINFHSA-N 1 0 300.265 0.904 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000449703119 417168236 /nfs/dbraw/zinc/16/82/36/417168236.db2.gz FCQIYLYECYLISJ-CYBMUJFWSA-N 1 0 309.322 0.468 20 5 DCBDRO CO[C@@H]1COC[C@H]1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000569118123 417215211 /nfs/dbraw/zinc/21/52/11/417215211.db2.gz PSACIPUCMYCABW-CHWSQXEVSA-N 1 0 309.322 0.845 20 5 DCBDRO COC(=O)COc1ccc(CN[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414870409 417310416 /nfs/dbraw/zinc/31/04/16/417310416.db2.gz SMZBMNXCMLZOIS-LBPRGKRZSA-N 1 0 323.349 0.988 20 5 DCBDRO C[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000570308770 417338864 /nfs/dbraw/zinc/33/88/64/417338864.db2.gz CKEONLUCIDYENV-VHSXEESVSA-N 1 0 314.367 0.595 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000415335986 417368974 /nfs/dbraw/zinc/36/89/74/417368974.db2.gz MEAWHHGMBJDUMZ-JTQLQIEISA-N 1 0 320.349 0.916 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415356116 417372641 /nfs/dbraw/zinc/37/26/41/417372641.db2.gz QBFQQNUBMVPTPF-ZETCQYMHSA-N 1 0 312.713 0.746 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000415360302 417373059 /nfs/dbraw/zinc/37/30/59/417373059.db2.gz XMPNKCCBAWASBV-JTQLQIEISA-N 1 0 306.322 0.655 20 5 DCBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415392853 417378422 /nfs/dbraw/zinc/37/84/22/417378422.db2.gz YOCJCLOFXKKBIV-SCZZXKLOSA-N 1 0 309.326 0.646 20 5 DCBDRO CC(C)[N@@H+]1CC[C@H](N(C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111959 417453758 /nfs/dbraw/zinc/45/37/58/417453758.db2.gz DKNGGVZXLDPMRN-GXTWGEPZSA-N 1 0 311.386 0.567 20 5 DCBDRO CNc1nccc(C(=O)NC[C@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000572132633 417455690 /nfs/dbraw/zinc/45/56/90/417455690.db2.gz KAUSBZFKIJYGDK-JTQLQIEISA-N 1 0 307.354 1.246 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000453927482 417537951 /nfs/dbraw/zinc/53/79/51/417537951.db2.gz KRTXBICYZORRIN-MFKMUULPSA-N 1 0 318.333 0.696 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000575800703 417549043 /nfs/dbraw/zinc/54/90/43/417549043.db2.gz RJZVAWXUCJYIEU-WDEREUQCSA-N 1 0 307.354 0.790 20 5 DCBDRO CC(C)Oc1nc(NC[C@@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000575071658 417508940 /nfs/dbraw/zinc/50/89/40/417508940.db2.gz BSPFAKCLYCPEBF-GFCCVEGCSA-N 1 0 323.397 1.435 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000576122841 417581711 /nfs/dbraw/zinc/58/17/11/417581711.db2.gz QBAVWHDKHQXVHK-WCBMZHEXSA-N 1 0 311.729 0.391 20 5 DCBDRO CNc1nc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455018431 417588515 /nfs/dbraw/zinc/58/85/15/417588515.db2.gz WVIWAJNFKRLFOJ-SECBINFHSA-N 1 0 305.338 0.998 20 5 DCBDRO CC[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000576783780 417637387 /nfs/dbraw/zinc/63/73/87/417637387.db2.gz RAUCEUVJDWAMHZ-SNVBAGLBSA-N 1 0 302.352 0.729 20 5 DCBDRO [NH3+]CCN(Cc1ccccc1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000184219497 261117334 /nfs/dbraw/zinc/11/73/34/261117334.db2.gz VWHFXYBFPBYURR-UHFFFAOYSA-N 1 0 303.322 0.779 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000192803850 261139186 /nfs/dbraw/zinc/13/91/86/261139186.db2.gz PJZANNGECWRYLD-LBPRGKRZSA-N 1 0 306.322 0.873 20 5 DCBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCN1CC[NH2+]CC1 ZINC000238082137 261165146 /nfs/dbraw/zinc/16/51/46/261165146.db2.gz PUNQVAXOJIKCCI-SNAWJCMRSA-N 1 0 304.350 0.629 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356145676 261396530 /nfs/dbraw/zinc/39/65/30/261396530.db2.gz AJSNSOTWQXXUOL-NSHDSACASA-N 1 0 324.385 0.084 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000394613208 262162933 /nfs/dbraw/zinc/16/29/33/262162933.db2.gz NFOQWXFUWNQYNT-JGVFFNPUSA-N 1 0 303.340 0.617 20 5 DCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417918048 262265391 /nfs/dbraw/zinc/26/53/91/262265391.db2.gz WSLGPBPYUIGAKX-CMPLNLGQSA-N 1 0 310.358 0.608 20 5 DCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417918049 262265551 /nfs/dbraw/zinc/26/55/51/262265551.db2.gz WSLGPBPYUIGAKX-JQWIXIFHSA-N 1 0 310.358 0.608 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000417935199 262266102 /nfs/dbraw/zinc/26/61/02/262266102.db2.gz GEIZFKZLDCFHBT-CQSZACIVSA-N 1 0 322.365 0.897 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418777144 262289399 /nfs/dbraw/zinc/28/93/99/262289399.db2.gz HCLJKCXVCCOQGH-NSHDSACASA-N 1 0 322.365 0.840 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419152050 262313599 /nfs/dbraw/zinc/31/35/99/262313599.db2.gz NWIRIQZJIAHWPX-SKDRFNHKSA-N 1 0 320.349 0.626 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419152889 262313645 /nfs/dbraw/zinc/31/36/45/262313645.db2.gz ORERAWCHDRILCO-QWRGUYRKSA-N 1 0 320.349 0.592 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419842010 262348736 /nfs/dbraw/zinc/34/87/36/262348736.db2.gz LAKQSIRJFWTLLT-GFCCVEGCSA-N 1 0 320.349 0.421 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419033437 271268842 /nfs/dbraw/zinc/26/88/42/271268842.db2.gz CEXVJVJOKNAWAQ-GFCCVEGCSA-N 1 0 320.349 0.203 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000419264679 271279980 /nfs/dbraw/zinc/27/99/80/271279980.db2.gz DUXWRPLCOPYHRT-JTQLQIEISA-N 1 0 308.338 0.498 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000420645180 271376124 /nfs/dbraw/zinc/37/61/24/271376124.db2.gz YPQGAWXSIRMIBH-PHIMTYICSA-N 1 0 320.349 0.969 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000488705885 272049154 /nfs/dbraw/zinc/04/91/54/272049154.db2.gz YRGQZEQXYMVCBI-CYBMUJFWSA-N 1 0 323.397 0.976 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000493256164 272178284 /nfs/dbraw/zinc/17/82/84/272178284.db2.gz NZCOPPWASBAGHL-QQHVMHFCSA-N 1 0 309.297 0.933 20 5 DCBDRO C[NH+](C)C/C=C\C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000493729845 272206420 /nfs/dbraw/zinc/20/64/20/272206420.db2.gz WPRZANYMJZDJKL-XQRVVYSFSA-N 1 0 319.365 0.756 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000516925769 272451010 /nfs/dbraw/zinc/45/10/10/272451010.db2.gz DQPUSGRGPUABAK-GHMZBOCLSA-N 1 0 324.385 0.648 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CCN2C1=O ZINC000519710653 287679961 /nfs/dbraw/zinc/67/99/61/287679961.db2.gz NEAAKMIOBXVQNJ-SFYZADRCSA-N 1 0 322.350 0.052 20 5 DCBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CNCCO1 ZINC000415092225 274206411 /nfs/dbraw/zinc/20/64/11/274206411.db2.gz FQLJBQYWQAFTQI-SMDDNHRTSA-N 1 0 322.365 0.890 20 5 DCBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000178940661 277286214 /nfs/dbraw/zinc/28/62/14/277286214.db2.gz CJDORBQNGYTMLZ-SECBINFHSA-N 1 0 317.342 0.964 20 5 DCBDRO [NH3+]C1(CNCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CCC1 ZINC000342129804 279617623 /nfs/dbraw/zinc/61/76/23/279617623.db2.gz HLHBQKRWCNJDRH-UHFFFAOYSA-N 1 0 322.321 0.733 20 5 DCBDRO CN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000564724201 288762412 /nfs/dbraw/zinc/76/24/12/288762412.db2.gz ZAHFZSIOZIEBLM-QWRGUYRKSA-N 1 0 309.322 0.155 20 5 DCBDRO NC(=O)c1ccnc(N[C@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000295683412 303350184 /nfs/dbraw/zinc/35/01/84/303350184.db2.gz MQEZRXCHUFFWGB-JTQLQIEISA-N 1 0 323.353 0.347 20 5 DCBDRO CC(C)Oc1nc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000582371234 336947549 /nfs/dbraw/zinc/94/75/49/336947549.db2.gz RLACVIQARSIWDA-RYUDHWBXSA-N 1 0 310.354 0.888 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000394077945 337099056 /nfs/dbraw/zinc/09/90/56/337099056.db2.gz SWTVGQOFWZEWLQ-SECBINFHSA-N 1 0 312.757 0.882 20 5 DCBDRO C[C@@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583084020 337237620 /nfs/dbraw/zinc/23/76/20/337237620.db2.gz RHTMXAPMRDGTGP-RKDXNWHRSA-N 1 0 300.340 0.348 20 5 DCBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000036299398 337352758 /nfs/dbraw/zinc/35/27/58/337352758.db2.gz CWBLYNWWFDQIGH-UHFFFAOYSA-N 1 0 317.367 0.881 20 5 DCBDRO Cc1cc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000584670832 337381392 /nfs/dbraw/zinc/38/13/92/337381392.db2.gz SUHNATNCBONHFE-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1O ZINC000569352595 518151082 /nfs/dbraw/zinc/15/10/82/518151082.db2.gz WKKKCVQSDBZKHB-GFCCVEGCSA-N 1 0 322.321 0.656 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000160512468 522391738 /nfs/dbraw/zinc/39/17/38/522391738.db2.gz KNVQAUVFNZJFNX-CMPLNLGQSA-N 1 0 320.349 0.533 20 5 DCBDRO COc1cc(OCC(=O)NC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000262503721 522889237 /nfs/dbraw/zinc/88/92/37/522889237.db2.gz IKGISRAGMMRAQP-UHFFFAOYSA-N 1 0 309.322 0.850 20 5 DCBDRO CC[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247190304 523283475 /nfs/dbraw/zinc/28/34/75/523283475.db2.gz BQLXNCPMAFANHN-NEPJUHHUSA-N 1 0 300.384 0.980 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000266983614 524060488 /nfs/dbraw/zinc/06/04/88/524060488.db2.gz RAPXBOKIIOYFBT-UHFFFAOYSA-N 1 0 318.337 0.809 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188392105 525231692 /nfs/dbraw/zinc/23/16/92/525231692.db2.gz LPVBLKAVGYNBMD-MNOVXSKESA-N 1 0 320.349 0.533 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[NH3+] ZINC000237621191 525232683 /nfs/dbraw/zinc/23/26/83/525232683.db2.gz CNHWZZJTOLHKGN-VIFPVBQESA-N 1 0 308.338 0.567 20 5 DCBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000120312754 527028703 /nfs/dbraw/zinc/02/87/03/527028703.db2.gz GZWALOOJEHATQZ-VIFPVBQESA-N 1 0 316.317 0.918 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@H]1O ZINC000285480210 536307556 /nfs/dbraw/zinc/30/75/56/536307556.db2.gz IBPRVJPRGBAGRX-CHWSQXEVSA-N 1 0 309.322 0.615 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)Nc1c(C)cncc1[N+](=O)[O-] ZINC001670000939 1174969876 /nfs/dbraw/zinc/96/98/76/1174969876.db2.gz GWMGMTNTAFHVMM-UHFFFAOYSA-N 1 0 311.342 0.156 20 5 DCBDRO C[C@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000052783378 657969676 /nfs/dbraw/zinc/96/96/76/657969676.db2.gz AQULDHMUHQUMOG-QMMMGPOBSA-N 1 0 300.340 0.040 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000050241885 658480414 /nfs/dbraw/zinc/48/04/14/658480414.db2.gz JCPORSZUXYVDJE-MRVPVSSYSA-N 1 0 301.324 0.325 20 5 DCBDRO CCOC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000932644318 658696043 /nfs/dbraw/zinc/69/60/43/658696043.db2.gz IZABLRKKAHFHNT-LLVKDONJSA-N 1 0 309.322 0.642 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000893754075 661404532 /nfs/dbraw/zinc/40/45/32/661404532.db2.gz VVKXTFQLLBBMNU-QWHCGFSZSA-N 1 0 322.369 0.669 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CC(CC3CCOCC3)C2)c1 ZINC000905974601 663592685 /nfs/dbraw/zinc/59/26/85/663592685.db2.gz VVZNIMOLQLLJJJ-HNNXBMFYSA-N 1 0 324.381 0.901 20 5 DCBDRO CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000910874847 663947055 /nfs/dbraw/zinc/94/70/55/663947055.db2.gz DQBURKIQILJCDB-ZIAGYGMSSA-N 1 0 313.398 0.593 20 5 DCBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC([NH+]2CCCC2)C1 ZINC000912321449 664161889 /nfs/dbraw/zinc/16/18/89/664161889.db2.gz IWPLVCDEXATOFN-CQSZACIVSA-N 1 0 305.334 0.935 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000912606408 664193054 /nfs/dbraw/zinc/19/30/54/664193054.db2.gz CIAGTHGMHLKONX-UHFFFAOYSA-N 1 0 309.366 0.910 20 5 DCBDRO C[NH+]1C[C@@]2(C)CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@]2(C)C1 ZINC000913289134 664298491 /nfs/dbraw/zinc/29/84/91/664298491.db2.gz JNNHTYBOSJPRNN-KBPBESRZSA-N 1 0 307.354 0.592 20 5 DCBDRO Cc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000913754355 664719463 /nfs/dbraw/zinc/71/94/63/664719463.db2.gz MXHRRZDSXMHFKX-IUODEOHRSA-N 1 0 307.350 0.975 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000861538849 666940284 /nfs/dbraw/zinc/94/02/84/666940284.db2.gz HQFQQMLVJXLCGD-SSDOTTSWSA-N 1 0 314.729 0.992 20 5 DCBDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000841456766 667178967 /nfs/dbraw/zinc/17/89/67/667178967.db2.gz LWQLALUBEQRCOH-VXGBXAGGSA-N 1 0 301.387 0.735 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@H](O)C1 ZINC000863829460 667186763 /nfs/dbraw/zinc/18/67/63/667186763.db2.gz HJJIKZBJQNORKB-ZRFDWSJLSA-N 1 0 305.334 0.791 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@H](O)C1 ZINC000863829459 667186858 /nfs/dbraw/zinc/18/68/58/667186858.db2.gz HJJIKZBJQNORKB-XSHSDMCLSA-N 1 0 305.334 0.791 20 5 DCBDRO C[NH+]1CCN(CCNc2cc(F)c([N+](=O)[O-])cc2CO)CC1 ZINC000865422439 667324596 /nfs/dbraw/zinc/32/45/96/667324596.db2.gz VBUXROPFQUZUDA-UHFFFAOYSA-N 1 0 312.345 0.886 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290404 667496922 /nfs/dbraw/zinc/49/69/22/667496922.db2.gz MVLKTVKXAJSEIQ-QWHCGFSZSA-N 1 0 309.366 0.876 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@H]3OCC[NH2+][C@H]3C2)c1 ZINC000923385014 667522269 /nfs/dbraw/zinc/52/22/69/667522269.db2.gz SGHLPYPACKYNOL-RRFJBIMHSA-N 1 0 307.350 0.691 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(Cn3nccc3[N+](=O)[O-])CC2)C1 ZINC000738209510 667660682 /nfs/dbraw/zinc/66/06/82/667660682.db2.gz CECAGZRNRWSRPF-ZDUSSCGKSA-N 1 0 308.386 0.461 20 5 DCBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(O)(COCCO)CC2)c1 ZINC000886737113 667793846 /nfs/dbraw/zinc/79/38/46/667793846.db2.gz TUWRLPKHDJKKIQ-UHFFFAOYSA-N 1 0 310.350 0.931 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1cc([N+](=O)[O-])cn1 ZINC000746643774 667884510 /nfs/dbraw/zinc/88/45/10/667884510.db2.gz KQZPVZGNRZAOQF-XBFCOCLRSA-N 1 0 309.370 0.932 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924993741 668261746 /nfs/dbraw/zinc/26/17/46/668261746.db2.gz LVCSJZHRBQALJO-RYUDHWBXSA-N 1 0 322.365 0.456 20 5 DCBDRO CCN1C[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC000877614055 668633486 /nfs/dbraw/zinc/63/34/86/668633486.db2.gz UQAUWOUWUHURJA-UNXYVOJBSA-N 1 0 307.354 0.953 20 5 DCBDRO C[C@@](CO)(NC[C@@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000879273062 669007700 /nfs/dbraw/zinc/00/77/00/669007700.db2.gz GXTANQQFLKAAIT-CVEARBPZSA-N 1 0 323.393 0.849 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000879577160 669067778 /nfs/dbraw/zinc/06/77/78/669067778.db2.gz HCDMRODRQNVWNZ-GXTWGEPZSA-N 1 0 306.366 0.783 20 5 DCBDRO CO[C@H]1COCC[C@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000880433557 669210628 /nfs/dbraw/zinc/21/06/28/669210628.db2.gz OXSCHLPHMARBOS-OLZOCXBDSA-N 1 0 311.338 0.492 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000932536989 669381836 /nfs/dbraw/zinc/38/18/36/669381836.db2.gz WVVBMMYHUNEQFF-LBPRGKRZSA-N 1 0 307.354 0.652 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000133138492 669783037 /nfs/dbraw/zinc/78/30/37/669783037.db2.gz PYXWLRAPXWBKTP-JTQLQIEISA-N 1 0 315.351 0.619 20 5 DCBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000935982529 669807671 /nfs/dbraw/zinc/80/76/71/669807671.db2.gz YLVNVPGQCSEDEK-VIFPVBQESA-N 1 0 313.379 0.969 20 5 DCBDRO Cc1nn(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000808227449 670400982 /nfs/dbraw/zinc/40/09/82/670400982.db2.gz FGVVGHZLVKFJBL-JTQLQIEISA-N 1 0 318.337 0.803 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812330876 670576096 /nfs/dbraw/zinc/57/60/96/670576096.db2.gz CPQYLLANAPIDOG-OLZOCXBDSA-N 1 0 321.381 0.900 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@H]1C[NH2+]CCO1 ZINC000818011653 670962216 /nfs/dbraw/zinc/96/22/16/670962216.db2.gz KZJVPOJSKKZVRR-GFCCVEGCSA-N 1 0 319.321 0.049 20 5 DCBDRO O=C1CCC(=O)N1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819025292 671086196 /nfs/dbraw/zinc/08/61/96/671086196.db2.gz LRVQIJQHZITTON-CYBMUJFWSA-N 1 0 321.333 0.757 20 5 DCBDRO O=C1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819132301 671097958 /nfs/dbraw/zinc/09/79/58/671097958.db2.gz VUYFAMXLEQAAFV-SMDDNHRTSA-N 1 0 305.334 0.981 20 5 DCBDRO Cn1nncc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819314859 671111402 /nfs/dbraw/zinc/11/14/02/671111402.db2.gz NKVQXGFFYOEZQB-GFCCVEGCSA-N 1 0 307.310 0.253 20 5 DCBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1[NH2+]CC12CCOCC2 ZINC000852790014 671160476 /nfs/dbraw/zinc/16/04/76/671160476.db2.gz NIRSFSFLOCLNQC-ZDUSSCGKSA-N 1 0 305.334 0.980 20 5 DCBDRO [NH3+]C[C@H]1CC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)=NO1 ZINC000852805200 671162683 /nfs/dbraw/zinc/16/26/83/671162683.db2.gz RXVQWITWZGMLOL-LLVKDONJSA-N 1 0 307.310 0.227 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000823648294 671404167 /nfs/dbraw/zinc/40/41/67/671404167.db2.gz WISFZCFGZMUUAX-TXEJJXNPSA-N 1 0 307.354 0.843 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000828512602 671554876 /nfs/dbraw/zinc/55/48/76/671554876.db2.gz WOELPRWHNSCBPW-NWDGAFQWSA-N 1 0 307.354 0.652 20 5 DCBDRO CN1CCN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000834299052 671752964 /nfs/dbraw/zinc/75/29/64/671752964.db2.gz ITSZHDZSVXAHJL-JTQLQIEISA-N 1 0 312.757 0.963 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2ccccc2F)c1 ZINC000843064077 672057750 /nfs/dbraw/zinc/05/77/50/672057750.db2.gz DUTMCEIXLMVAAC-BXUZGUMPSA-N 1 0 324.312 0.615 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000843484439 672102578 /nfs/dbraw/zinc/10/25/78/672102578.db2.gz KGACNXQQOYWRSH-SNVBAGLBSA-N 1 0 300.265 0.904 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000843854573 672125343 /nfs/dbraw/zinc/12/53/43/672125343.db2.gz SWDFUQCIRZEEFI-AWEZNQCLSA-N 1 0 311.313 0.839 20 5 DCBDRO C[NH+]1CCN(C[C@@H](O)COc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000844944320 672210887 /nfs/dbraw/zinc/21/08/87/672210887.db2.gz AWIMQCHJWMYAHL-GFCCVEGCSA-N 1 0 313.329 0.721 20 5 DCBDRO Cc1nn(CN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000902641709 685458862 /nfs/dbraw/zinc/45/88/62/685458862.db2.gz AEUWMLYTQCWFGK-OLZOCXBDSA-N 1 0 309.370 0.588 20 5 DCBDRO CCn1c(C)nnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138878 693709704 /nfs/dbraw/zinc/70/97/04/693709704.db2.gz GCBSRPJHROFGQL-DDHJBXDOSA-N 1 0 322.369 0.008 20 5 DCBDRO CCc1noc(C)c1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139347 693709708 /nfs/dbraw/zinc/70/97/08/693709708.db2.gz YPHRKNVSTHRVOT-ZHSDAYTOSA-N 1 0 322.365 0.947 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1=CCCC1 ZINC001691290314 1157631537 /nfs/dbraw/zinc/63/15/37/1157631537.db2.gz AUQISYYLQYXSMV-UHFFFAOYSA-N 1 0 307.354 0.987 20 5 DCBDRO Cc1conc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001691542236 1158327967 /nfs/dbraw/zinc/32/79/67/1158327967.db2.gz AVSZAROYZYRMEK-UHFFFAOYSA-N 1 0 322.325 0.487 20 5 DCBDRO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)CC(N)=O ZINC001569191062 1160972296 /nfs/dbraw/zinc/97/22/96/1160972296.db2.gz RAOOTVAOYADEBL-UHFFFAOYSA-N 1 0 314.367 0.470 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001574268375 1163681178 /nfs/dbraw/zinc/68/11/78/1163681178.db2.gz AHVDPOGHKNJODH-CHWSQXEVSA-N 1 0 320.349 0.342 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001576149998 1164253295 /nfs/dbraw/zinc/25/32/95/1164253295.db2.gz QURMQSFDPFAITF-JTQLQIEISA-N 1 0 318.337 0.654 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@]12C[NH2+]C[C@@H]1CCO2 ZINC001578497325 1165032922 /nfs/dbraw/zinc/03/29/22/1165032922.db2.gz SHWUESSPTCVMRF-SWLSCSKDSA-N 1 0 305.334 0.932 20 5 DCBDRO C[NH2+]CCC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC001578674248 1165085294 /nfs/dbraw/zinc/08/52/94/1165085294.db2.gz ZWTGNSNWSOGOJD-AWEZNQCLSA-N 1 0 309.322 0.709 20 5 DCBDRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001579119635 1165214326 /nfs/dbraw/zinc/21/43/26/1165214326.db2.gz STIVWBSDCCQFSD-VXGBXAGGSA-N 1 0 313.741 0.894 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c(C[NH3+])cnn1C ZINC001579242435 1165248250 /nfs/dbraw/zinc/24/82/50/1165248250.db2.gz NCSXMDILYPEGBW-UHFFFAOYSA-N 1 0 319.321 0.726 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CCC3(CO[C@H](C[NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001579514796 1165334442 /nfs/dbraw/zinc/33/44/42/1165334442.db2.gz WQFWCINGWFXMRM-JTQLQIEISA-N 1 0 323.353 0.596 20 5 DCBDRO NC(=O)c1ccnc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001580107179 1165507113 /nfs/dbraw/zinc/50/71/13/1165507113.db2.gz RHJKNFVLOFPMJX-WDEREUQCSA-N 1 0 319.365 0.915 20 5 DCBDRO O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cn1 ZINC001580622014 1165661203 /nfs/dbraw/zinc/66/12/03/1165661203.db2.gz FVQWHTDTQHGHQJ-LLVKDONJSA-N 1 0 320.349 0.878 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001580840730 1165733260 /nfs/dbraw/zinc/73/32/60/1165733260.db2.gz QNYCKCIULBJWDN-YFCVBGDOSA-N 1 0 316.317 0.604 20 5 DCBDRO O=[N+]([O-])c1cc(CO)c(N2CCN([C@H]3CC[NH2+]C3)CC2)cc1F ZINC001580874880 1165748930 /nfs/dbraw/zinc/74/89/30/1165748930.db2.gz NEMQSDPITMIKHR-LBPRGKRZSA-N 1 0 324.356 0.710 20 5 DCBDRO C[N@H+](CCCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC001584417864 1166325187 /nfs/dbraw/zinc/32/51/87/1166325187.db2.gz MOEFGPIKKNMZCV-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001591058476 1167098569 /nfs/dbraw/zinc/09/85/69/1167098569.db2.gz REQHBRXWIGQUTR-VIFPVBQESA-N 1 0 318.341 0.700 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@@H]2CSCC[NH2+]2)cccc1-c1nn[nH]n1 ZINC001607078170 1170383074 /nfs/dbraw/zinc/38/30/74/1170383074.db2.gz MSNLOGGHMCIUHI-MRVPVSSYSA-N 1 0 321.366 0.892 20 5 DCBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609191105 1170860036 /nfs/dbraw/zinc/86/00/36/1170860036.db2.gz HMGRHHWWOQTSOP-NSHDSACASA-N 1 0 306.326 0.978 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001618752161 1171400231 /nfs/dbraw/zinc/40/02/31/1171400231.db2.gz FTYBYHUPWRAIMB-CQSZACIVSA-N 1 0 323.353 0.101 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC1CC[NH+](C2CC2)CC1 ZINC001629127104 1171542275 /nfs/dbraw/zinc/54/22/75/1171542275.db2.gz WORMQADWCFPEDQ-UHFFFAOYSA-N 1 0 320.349 0.500 20 5 DCBDRO CN(CC(=O)NCCOCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001631922247 1171605536 /nfs/dbraw/zinc/60/55/36/1171605536.db2.gz VMRVSPCJCVFBRX-UHFFFAOYSA-N 1 0 324.381 0.725 20 5 DCBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001632472990 1171616238 /nfs/dbraw/zinc/61/62/38/1171616238.db2.gz RBENWJSLRWDHAI-LBPRGKRZSA-N 1 0 322.365 0.746 20 5 DCBDRO Cc1cc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c(N)c([N+](=O)[O-])c1 ZINC001635940409 1171718821 /nfs/dbraw/zinc/71/88/21/1171718821.db2.gz BECKLXGIELIKPM-JTQLQIEISA-N 1 0 320.349 0.688 20 5 DCBDRO C[NH+]1CCC(CCO)(NC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001637806349 1171779677 /nfs/dbraw/zinc/77/96/77/1171779677.db2.gz VHLBBGNDVVOKKJ-UHFFFAOYSA-N 1 0 308.338 0.566 20 5 DCBDRO C[C@@H]1CN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@H](C)CO1 ZINC001640239944 1171871346 /nfs/dbraw/zinc/87/13/46/1171871346.db2.gz MMYVGOTUSNFVGB-NXEZZACHSA-N 1 0 323.353 0.411 20 5 DCBDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001643410137 1171975521 /nfs/dbraw/zinc/97/55/21/1171975521.db2.gz GOOWTFZWQONJGG-LBPRGKRZSA-N 1 0 320.349 0.604 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)CC[NH+](C)C)n1 ZINC001650956420 1173738193 /nfs/dbraw/zinc/73/81/93/1173738193.db2.gz YRJCZTUQIZNLOJ-CYBMUJFWSA-N 1 0 313.358 0.244 20 5 DCBDRO NC(=O)c1cc(N2CC([NH2+][C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001651457962 1173749355 /nfs/dbraw/zinc/74/93/55/1173749355.db2.gz VNGKUNYGLZWCGL-VIFPVBQESA-N 1 0 306.322 0.261 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001653830408 1173794970 /nfs/dbraw/zinc/79/49/70/1173794970.db2.gz NVILNFCNEJAOPT-OUAUKWLOSA-N 1 0 302.281 0.739 20 5 DCBDRO CC1(C)CNC(=O)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001654676948 1173809174 /nfs/dbraw/zinc/80/91/74/1173809174.db2.gz SLHMJNWNISXHAN-ZWNOBZJWSA-N 1 0 323.349 0.449 20 5 DCBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)c1 ZINC001656540354 1173867958 /nfs/dbraw/zinc/86/79/58/1173867958.db2.gz IMRVCUDHIPZQMG-OLZOCXBDSA-N 1 0 310.350 0.896 20 5 DCBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)C[C@H](C)[N@H+]1CCO ZINC001658674877 1173924753 /nfs/dbraw/zinc/92/47/53/1173924753.db2.gz ZDFQYDFCZMLJQM-BETUJISGSA-N 1 0 324.381 0.143 20 5 DCBDRO CNC(=O)NC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC001659789953 1173935458 /nfs/dbraw/zinc/93/54/58/1173935458.db2.gz VMBLUHGGBXEHQD-LLVKDONJSA-N 1 0 310.358 0.575 20 5 DCBDRO O=CN1CCC([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001659973284 1173938103 /nfs/dbraw/zinc/93/81/03/1173938103.db2.gz WWNHHSQXKOUDEA-HUUCEWRRSA-N 1 0 323.349 0.200 20 5 DCBDRO COc1cccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001660138674 1173949840 /nfs/dbraw/zinc/94/98/40/1173949840.db2.gz FYDPVAXYZUANRZ-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(C)c1 ZINC001660524637 1174004078 /nfs/dbraw/zinc/00/40/78/1174004078.db2.gz CCTPAONSZCCMAM-CHWSQXEVSA-N 1 0 309.370 0.414 20 5 DCBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(F)cn1 ZINC001707374754 1180463636 /nfs/dbraw/zinc/46/36/36/1180463636.db2.gz AGNYNZWNFKUCOM-CHWSQXEVSA-N 1 0 310.329 0.824 20 5 DCBDRO Cn1cc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001713452535 1180829522 /nfs/dbraw/zinc/82/95/22/1180829522.db2.gz UFMIEKYHHCFWOC-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO CCn1cc(CC[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001714532602 1181404476 /nfs/dbraw/zinc/40/44/76/1181404476.db2.gz CCRWTUCCCUGIGA-CHWSQXEVSA-N 1 0 309.370 0.159 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CC(C)(F)F ZINC001714756719 1181526512 /nfs/dbraw/zinc/52/65/12/1181526512.db2.gz SQWUDFYFQVSRAT-UHFFFAOYSA-N 1 0 319.312 0.922 20 5 DCBDRO Cc1ncsc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001723515491 1184322532 /nfs/dbraw/zinc/32/25/32/1184322532.db2.gz VHBSNXGRMMXMBJ-NXEZZACHSA-N 1 0 310.379 0.855 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1C[NH2+]C1 ZINC000261927784 1185159132 /nfs/dbraw/zinc/15/91/32/1185159132.db2.gz KGRXJWIYCWTKMI-VIFPVBQESA-N 1 0 306.322 0.049 20 5 DCBDRO CN(CCC[N@H+](C)CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755037133 1189004033 /nfs/dbraw/zinc/00/40/33/1189004033.db2.gz OYAZMLXIJNDYMC-ZIAGYGMSSA-N 1 0 323.397 0.408 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000423306895 1190400554 /nfs/dbraw/zinc/40/05/54/1190400554.db2.gz MIHROWRDMSYBSJ-UHFFFAOYSA-N 1 0 320.349 0.157 20 5 DCBDRO Cn1cc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC001124612838 751682593 /nfs/dbraw/zinc/68/25/93/751682593.db2.gz HOIJLGFRRZUOSV-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO COc1nc(SC)nc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001167691707 747649947 /nfs/dbraw/zinc/64/99/47/747649947.db2.gz QTDOZZAQCWECHG-UHFFFAOYSA-N 1 0 322.350 0.844 20 5 DCBDRO Cn1nncc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126524330 748934549 /nfs/dbraw/zinc/93/45/49/748934549.db2.gz OTUGWJVFQMNMCH-UHFFFAOYSA-N 1 0 304.310 0.243 20 5 DCBDRO COc1nc(C)nc(NC(=N)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001168735641 753973425 /nfs/dbraw/zinc/97/34/25/753973425.db2.gz BWNQAKOOUXWKSE-UHFFFAOYSA-N 1 0 309.330 0.296 20 5 DCBDRO Cn1cncc1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001147871749 767867258 /nfs/dbraw/zinc/86/72/58/767867258.db2.gz KNTZBNUBEDOCCY-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084074 759693153 /nfs/dbraw/zinc/69/31/53/759693153.db2.gz BMGXXOKMYHXHNU-RBLKWDMZSA-N 1 0 310.379 0.793 20 5 DCBDRO Cc1cnc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001086084363 759695016 /nfs/dbraw/zinc/69/50/16/759695016.db2.gz OHCYKELQEVRNLW-ZMJPVWNMSA-N 1 0 319.365 0.435 20 5 DCBDRO Cn1nccc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363229 760101596 /nfs/dbraw/zinc/10/15/96/760101596.db2.gz IQPBNPHBFQLBSU-FPQZTECRSA-N 1 0 307.354 0.070 20 5 DCBDRO O=[N+]([O-])c1cnc(N(CCO)CC(F)(F)F)nc1C1C[NH2+]C1 ZINC001155795576 760173533 /nfs/dbraw/zinc/17/35/33/760173533.db2.gz ADASJYMXKFNZEK-UHFFFAOYSA-N 1 0 321.259 0.433 20 5 DCBDRO NC(=O)c1ccnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168816166 760458027 /nfs/dbraw/zinc/45/80/27/760458027.db2.gz OUMAIJUWEUIWFY-QMMMGPOBSA-N 1 0 302.294 0.090 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)n1 ZINC001168807829 760465762 /nfs/dbraw/zinc/46/57/62/760465762.db2.gz JOFOHSBERMIEBV-SECBINFHSA-N 1 0 317.305 0.778 20 5 DCBDRO NC(=O)c1nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)ccc1[N+](=O)[O-] ZINC001168808389 760466057 /nfs/dbraw/zinc/46/60/57/760466057.db2.gz MXCQFTVZDHFCIW-MRVPVSSYSA-N 1 0 302.294 0.090 20 5 DCBDRO [NH3+]Cc1cccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978790 760528540 /nfs/dbraw/zinc/52/85/40/760528540.db2.gz UFZYBMVEQBQZKB-VXGBXAGGSA-N 1 0 313.379 0.869 20 5 DCBDRO Cn1cc(NCc2ncn3c2C[NH2+]CCC3)cc([N+](=O)[O-])c1=O ZINC001169240680 760611554 /nfs/dbraw/zinc/61/15/54/760611554.db2.gz KQVZIFXPNHSWOO-UHFFFAOYSA-N 1 0 318.337 0.595 20 5 DCBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2c1CNC2=O)[C@@H]1C[NH2+]CCO1 ZINC001170569970 763866148 /nfs/dbraw/zinc/86/61/48/763866148.db2.gz BLVRYOHYEUNEJU-PELKAZGASA-N 1 0 306.322 0.627 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001116342072 765862139 /nfs/dbraw/zinc/86/21/39/765862139.db2.gz MBCSFDJXTUNNLV-SNVBAGLBSA-N 1 0 306.322 0.109 20 5 DCBDRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001135381242 765910982 /nfs/dbraw/zinc/91/09/82/765910982.db2.gz VNVLDPCFXLNPJB-UHFFFAOYSA-N 1 0 322.365 0.715 20 5 DCBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)cc1 ZINC001117074547 765974011 /nfs/dbraw/zinc/97/40/11/765974011.db2.gz HZXBGKUJKZXRQI-UHFFFAOYSA-N 1 0 314.363 0.624 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)NCC1CC1 ZINC001135906041 766159444 /nfs/dbraw/zinc/15/94/44/766159444.db2.gz QRTVMIWJUSBOGO-UHFFFAOYSA-N 1 0 320.349 0.327 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCC2CS(=O)(=O)C2)c1 ZINC001118156327 766238693 /nfs/dbraw/zinc/23/86/93/766238693.db2.gz VCDAYNAFZAGHSH-CYBMUJFWSA-N 1 0 314.363 0.653 20 5 DCBDRO O=C(N[C@@H]1C[NH+]2CCC1CC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120686853 767137849 /nfs/dbraw/zinc/13/78/49/767137849.db2.gz CUWZYRUQZISQAJ-KGLIPLIRSA-N 1 0 305.334 0.839 20 5 DCBDRO Cc1nonc1CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001146250958 767408283 /nfs/dbraw/zinc/40/82/83/767408283.db2.gz FTBXIYDYVLOKCH-UHFFFAOYSA-N 1 0 319.321 0.735 20 5 DCBDRO CC(C)(C(=O)N1CCC2(C[NH2+]C2)CC1)n1cc([N+](=O)[O-])cn1 ZINC001122051736 767706192 /nfs/dbraw/zinc/70/61/92/767706192.db2.gz DMBBNKRDFIKMOI-UHFFFAOYSA-N 1 0 307.354 0.738 20 5 DCBDRO Cc1cc(F)cc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001122063500 767708598 /nfs/dbraw/zinc/70/85/98/767708598.db2.gz LEHCBNZGMZPBFE-SNVBAGLBSA-N 1 0 309.297 0.903 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2=NO[C@@H]3C[NH2+]C[C@@H]23)n1 ZINC001212628616 769386428 /nfs/dbraw/zinc/38/64/28/769386428.db2.gz DENHAUDDWPQGQW-HTRCEHHLSA-N 1 0 320.240 0.501 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2=NO[C@H]3C[NH2+]C[C@H]23)n1 ZINC001212628619 769387225 /nfs/dbraw/zinc/38/72/25/769387225.db2.gz DENHAUDDWPQGQW-XPUUQOCRSA-N 1 0 320.240 0.501 20 5 DCBDRO CC[N@@H+]1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233623969 769414306 /nfs/dbraw/zinc/41/43/06/769414306.db2.gz MLKIORJAODENNA-SNVBAGLBSA-N 1 0 315.351 0.715 20 5 DCBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C)S(=O)(=O)CC[NH3+] ZINC001173214910 769561402 /nfs/dbraw/zinc/56/14/02/769561402.db2.gz RNOMZNPFUBOKLT-JTQLQIEISA-N 1 0 301.368 0.746 20 5 DCBDRO O=C(Cn1cncn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001150249931 769710394 /nfs/dbraw/zinc/71/03/94/769710394.db2.gz JZLZYPKLHNKSFV-UHFFFAOYSA-N 1 0 304.310 0.092 20 5 DCBDRO COC(=O)[C@@H](Nc1nc(OC)nc(C)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155368240 770478630 /nfs/dbraw/zinc/47/86/30/770478630.db2.gz FKPPIYMNRHLIFN-MRVPVSSYSA-N 1 0 313.314 0.393 20 5 DCBDRO [NH3+]CC1CN([C@@H]2CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001155372733 770479954 /nfs/dbraw/zinc/47/99/54/770479954.db2.gz JWRIDFPXNLJYKT-GFCCVEGCSA-N 1 0 309.345 0.988 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](N2CC(C[NH3+])C2)C1 ZINC001155375132 770481295 /nfs/dbraw/zinc/48/12/95/770481295.db2.gz AQSNFADKWDMNRC-LLVKDONJSA-N 1 0 306.370 0.431 20 5 DCBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155571415 770548827 /nfs/dbraw/zinc/54/88/27/770548827.db2.gz SPPRAXZYRAMCNZ-PRHODGIISA-N 1 0 311.729 0.942 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncnc3cc([N+](=O)[O-])ccc32)N1 ZINC001155571189 770548951 /nfs/dbraw/zinc/54/89/51/770548951.db2.gz RMODOORSCXITML-FZMZJTMJSA-N 1 0 314.305 0.528 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncnc3cccc([N+](=O)[O-])c32)N1 ZINC001155581872 770556395 /nfs/dbraw/zinc/55/63/95/770556395.db2.gz VQUMFIZVXPLJTM-QMTHXVAHSA-N 1 0 314.305 0.528 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1 ZINC001155591950 770559072 /nfs/dbraw/zinc/55/90/72/770559072.db2.gz LLWJNDDDUUQZFQ-FZMZJTMJSA-N 1 0 308.338 0.799 20 5 DCBDRO COc1ncnc(NC[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001155599259 770561072 /nfs/dbraw/zinc/56/10/72/770561072.db2.gz SEBKAIWZHDPMKH-YGRLFVJLSA-N 1 0 323.353 0.964 20 5 DCBDRO COc1ncnc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155623561 770569038 /nfs/dbraw/zinc/56/90/38/770569038.db2.gz TXEMKULAPVMXHB-TVQRCGJNSA-N 1 0 309.326 0.716 20 5 DCBDRO O=[N+]([O-])c1c(NCc2cccnn2)ncnc1N1CC[NH2+]CC1 ZINC001156608405 770870009 /nfs/dbraw/zinc/87/00/09/770870009.db2.gz HBIJXSDIACFQLB-UHFFFAOYSA-N 1 0 316.325 0.197 20 5 DCBDRO C[NH+]1CCC2(CCN2C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001180814308 771188758 /nfs/dbraw/zinc/18/87/58/771188758.db2.gz VZTPYCNQLMMBID-UHFFFAOYSA-N 1 0 320.349 0.453 20 5 DCBDRO CCOC(=O)CN(CCC[NH3+])c1ncc(F)cc1[N+](=O)[O-] ZINC001157544491 771629655 /nfs/dbraw/zinc/62/96/55/771629655.db2.gz LRCUOBLEZARQAK-UHFFFAOYSA-N 1 0 300.290 0.847 20 5 DCBDRO Cc1ncsc1CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767168 771666072 /nfs/dbraw/zinc/66/60/72/771666072.db2.gz IOXAEJTVNDBWID-GHMZBOCLSA-N 1 0 312.395 0.755 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)n1 ZINC001157989463 771708093 /nfs/dbraw/zinc/70/80/93/771708093.db2.gz QGJFDJBAJCBAHX-VIFPVBQESA-N 1 0 304.310 0.704 20 5 DCBDRO Cc1nc(-n2nnc(-c3cccc(C[NH3+])c3)n2)ncc1[N+](=O)[O-] ZINC001158046707 771719626 /nfs/dbraw/zinc/71/96/26/771719626.db2.gz QDKNWQHYRDVOGB-UHFFFAOYSA-N 1 0 312.293 0.795 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1cc(CC[NH3+])cn1 ZINC001158100669 771726373 /nfs/dbraw/zinc/72/63/73/771726373.db2.gz TZVXFTGDUNLISL-UHFFFAOYSA-N 1 0 305.294 0.853 20 5 DCBDRO Cc1nc(NCc2ncn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001158363963 771764267 /nfs/dbraw/zinc/76/42/67/771764267.db2.gz JOPPAXYSMMBMPW-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO COC(=O)[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@H]1C ZINC001158514293 771785472 /nfs/dbraw/zinc/78/54/72/771785472.db2.gz RFVJGTQDBWMVRG-WPRPVWTQSA-N 1 0 321.337 0.317 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NCCN(C)CC[NH3+] ZINC001159437574 771909028 /nfs/dbraw/zinc/90/90/28/771909028.db2.gz KXLDCUPLFRWHET-UHFFFAOYSA-N 1 0 311.342 0.469 20 5 DCBDRO CC(C)(C(N)=O)C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001160403215 772033707 /nfs/dbraw/zinc/03/37/07/772033707.db2.gz XHMMCZDQZOFKTA-UHFFFAOYSA-N 1 0 322.365 0.702 20 5 DCBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1cc([N+](=O)[O-])c2nccn2c1 ZINC001162096903 772325684 /nfs/dbraw/zinc/32/56/84/772325684.db2.gz BZNXEUDFKPCCPJ-NSHDSACASA-N 1 0 304.354 0.948 20 5 DCBDRO CCOC(=O)COc1ncc(-n2nccc2C[NH3+])cc1[N+](=O)[O-] ZINC001162593269 772395807 /nfs/dbraw/zinc/39/58/07/772395807.db2.gz FIAYMZYKMJOHGS-UHFFFAOYSA-N 1 0 321.293 0.576 20 5 DCBDRO CCOC1(OCC)CC[NH2+]C[C@H]1Nc1cnc([N+](=O)[O-])cn1 ZINC001162732321 772413404 /nfs/dbraw/zinc/41/34/04/772413404.db2.gz CZWXRTHTUNMWGO-SNVBAGLBSA-N 1 0 311.342 0.928 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001162971918 772437449 /nfs/dbraw/zinc/43/74/49/772437449.db2.gz BKHCXLOQTNAUMW-UHFFFAOYSA-N 1 0 320.313 0.090 20 5 DCBDRO COc1nc(C)nc(N[C@@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163068623 772453547 /nfs/dbraw/zinc/45/35/47/772453547.db2.gz JFEVYHMGKOAICO-SECBINFHSA-N 1 0 309.326 0.492 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163108537 772464181 /nfs/dbraw/zinc/46/41/81/772464181.db2.gz STDDUGRJEYGAPS-HLUHBDAQSA-N 1 0 322.321 0.423 20 5 DCBDRO O=[N+]([O-])c1cnc2cccc(NC[C@]34C[NH2+]C[C@H]3COC4)n21 ZINC001163159671 772474840 /nfs/dbraw/zinc/47/48/40/772474840.db2.gz MEKOSWKMQDJMDZ-HZMBPMFUSA-N 1 0 303.322 0.890 20 5 DCBDRO NC(=O)c1ccnc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163168522 772475969 /nfs/dbraw/zinc/47/59/69/772475969.db2.gz XFGVGLBDNYHASP-FXPVBKGRSA-N 1 0 321.337 0.125 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001163252760 772492620 /nfs/dbraw/zinc/49/26/20/772492620.db2.gz WWIFPXQFTVCEHU-FZMZJTMJSA-N 1 0 320.305 0.371 20 5 DCBDRO Cn1cc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1=O ZINC001163325754 772506734 /nfs/dbraw/zinc/50/67/34/772506734.db2.gz YGTRBUYDBBMRPX-QMTHXVAHSA-N 1 0 308.338 0.617 20 5 DCBDRO [NH3+]CCN(CCO)c1cnc(Oc2ccc([N+](=O)[O-])cc2)nc1 ZINC001163837323 772580601 /nfs/dbraw/zinc/58/06/01/772580601.db2.gz ZXCWWQGWQOKLJR-UHFFFAOYSA-N 1 0 319.321 0.935 20 5 DCBDRO COc1nc(N2CC([N@H+](C)[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165203782 772703986 /nfs/dbraw/zinc/70/39/86/772703986.db2.gz GFQDLFNKSGGFRO-SECBINFHSA-N 1 0 309.326 0.303 20 5 DCBDRO CC(C)Oc1nc(N2CCNC(=O)C23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001165301333 772721152 /nfs/dbraw/zinc/72/11/52/772721152.db2.gz SNCFEJKTGMPRKI-UHFFFAOYSA-N 1 0 321.337 0.055 20 5 DCBDRO NC(=O)C1(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001165596054 772748626 /nfs/dbraw/zinc/74/86/26/772748626.db2.gz JCVKQJVNQDAJNI-UHFFFAOYSA-N 1 0 320.349 0.456 20 5 DCBDRO Cc1nc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)ncc1[N+](=O)[O-] ZINC001166703103 772844141 /nfs/dbraw/zinc/84/41/41/772844141.db2.gz XOGBUZBAEGBDKP-SECBINFHSA-N 1 0 301.310 0.783 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)n1 ZINC001166702131 772844221 /nfs/dbraw/zinc/84/42/21/772844221.db2.gz VQADKYYFAKZOKD-VIFPVBQESA-N 1 0 301.310 0.783 20 5 DCBDRO CNc1cc([N+](=O)[O-])cnc1NC1(C(=O)OC)CC[NH2+]CC1 ZINC001166931505 772883570 /nfs/dbraw/zinc/88/35/70/772883570.db2.gz MPWHVTGLLDQLNV-UHFFFAOYSA-N 1 0 309.326 0.739 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001166962353 772890394 /nfs/dbraw/zinc/89/03/94/772890394.db2.gz VDTWPQMLOYVKAP-PELKAZGASA-N 1 0 317.305 0.617 20 5 DCBDRO O=C1N=NC(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)O1 ZINC001194300524 773172038 /nfs/dbraw/zinc/17/20/38/773172038.db2.gz PGQUQBRMVOPNKV-UHFFFAOYSA-N 1 0 308.298 0.760 20 5 DCBDRO CC(C)(C)c1nc(COC(=O)C[C@@H](O)C[N+](C)(C)C)no1 ZINC001223186359 775472095 /nfs/dbraw/zinc/47/20/95/775472095.db2.gz WDQGALJEKNXQJC-SNVBAGLBSA-N 1 0 300.379 0.868 20 5 DCBDRO NC(=O)C1([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC001462060211 1013049336 /nfs/dbraw/zinc/04/93/36/1013049336.db2.gz HOXCUNMLEDTEFE-UHFFFAOYSA-N 1 0 305.338 0.566 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001247849747 945577069 /nfs/dbraw/zinc/57/70/69/945577069.db2.gz NFEQQKOMQGTYHI-CPFSXVBKSA-N 1 0 321.268 0.666 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CO[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC001247936736 945585158 /nfs/dbraw/zinc/58/51/58/945585158.db2.gz UZYBFWXUBDRVPY-NQMVMOMDSA-N 1 0 321.268 0.881 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001319591298 945626907 /nfs/dbraw/zinc/62/69/07/945626907.db2.gz HOTFMMZKZXXTSC-MNOVXSKESA-N 1 0 320.349 0.498 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC001462331304 1013062977 /nfs/dbraw/zinc/06/29/77/1013062977.db2.gz IWHCYOHSMLXAFZ-LLVKDONJSA-N 1 0 311.729 0.990 20 5 DCBDRO CCN(CC[NH2+]Cc1cnc(C)nc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273373371 946901744 /nfs/dbraw/zinc/90/17/44/946901744.db2.gz AEECGSGTXPMETC-CHWSQXEVSA-N 1 0 307.354 0.388 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC001323482767 947098400 /nfs/dbraw/zinc/09/84/00/947098400.db2.gz LUPRXLXCOXYVRG-UHFFFAOYSA-N 1 0 322.365 0.823 20 5 DCBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001324265819 947372875 /nfs/dbraw/zinc/37/28/75/947372875.db2.gz IKPOELLJKACURB-LBPRGKRZSA-N 1 0 322.365 0.603 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC001324277305 947375572 /nfs/dbraw/zinc/37/55/72/947375572.db2.gz GBCOWXJGPXRKEG-MWLCHTKSSA-N 1 0 320.296 0.102 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001261643188 947381990 /nfs/dbraw/zinc/38/19/90/947381990.db2.gz JVTAZAQPEMUKFL-KBPBESRZSA-N 1 0 305.334 0.843 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001261636595 947381998 /nfs/dbraw/zinc/38/19/98/947381998.db2.gz OVUFLWGHVQZDPV-SNVBAGLBSA-N 1 0 320.349 0.204 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC001324670845 947497814 /nfs/dbraw/zinc/49/78/14/947497814.db2.gz BUEXJFXRYJATFQ-UHFFFAOYSA-N 1 0 311.342 0.169 20 5 DCBDRO C[C@H]([NH3+])CONC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC001263141413 947812805 /nfs/dbraw/zinc/81/28/05/947812805.db2.gz WWLUQNFEKVIZIG-JTQLQIEISA-N 1 0 324.337 0.440 20 5 DCBDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001191801698 947990189 /nfs/dbraw/zinc/99/01/89/947990189.db2.gz OKGPJEAPXRNRRN-UHFFFAOYSA-N 1 0 300.340 0.362 20 5 DCBDRO O=C(NCC[NH2+]C1CC1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328768320 949080728 /nfs/dbraw/zinc/08/07/28/949080728.db2.gz JRRWINRTTIAGHC-UHFFFAOYSA-N 1 0 318.333 0.305 20 5 DCBDRO C[NH+](C)CCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1 ZINC001330622387 950555728 /nfs/dbraw/zinc/55/57/28/950555728.db2.gz RXHNLSBOBJFCGJ-UHFFFAOYSA-N 1 0 302.356 0.606 20 5 DCBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@@H]1O ZINC001576214235 950660962 /nfs/dbraw/zinc/66/09/62/950660962.db2.gz NOWQFGSMGQEUNL-ZANVPECISA-N 1 0 318.337 0.978 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[C@@H](C)[NH2+]C)c([N+](=O)[O-])n1 ZINC001332325762 951587827 /nfs/dbraw/zinc/58/78/27/951587827.db2.gz RRGGAGIZOGDLTH-MRVPVSSYSA-N 1 0 305.360 0.088 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001333355090 952018748 /nfs/dbraw/zinc/01/87/48/952018748.db2.gz YYPBVGPZNAYAMA-RYUDHWBXSA-N 1 0 320.349 0.357 20 5 DCBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001333535910 952092455 /nfs/dbraw/zinc/09/24/55/952092455.db2.gz PARUVZFIBXBUDO-UHFFFAOYSA-N 1 0 322.365 0.449 20 5 DCBDRO O=C(C[C@H]1CC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001333629884 952119023 /nfs/dbraw/zinc/11/90/23/952119023.db2.gz LOYOFEFBSVWNFG-LLVKDONJSA-N 1 0 307.354 0.954 20 5 DCBDRO Cc1nc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC001333872449 952183305 /nfs/dbraw/zinc/18/33/05/952183305.db2.gz KTALDXQEEZRTEI-VXGBXAGGSA-N 1 0 307.354 0.729 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001334655483 952371046 /nfs/dbraw/zinc/37/10/46/952371046.db2.gz AHNLQTYJDGPVFT-SNVBAGLBSA-N 1 0 323.353 0.688 20 5 DCBDRO CC[NH+]1CCN(C2CN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC001339840947 953123878 /nfs/dbraw/zinc/12/38/78/953123878.db2.gz NXEDINQDGNAEJX-UHFFFAOYSA-N 1 0 307.354 0.522 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1CO ZINC001340953725 953204932 /nfs/dbraw/zinc/20/49/32/953204932.db2.gz OPJJSQBZIURZKN-LBPRGKRZSA-N 1 0 311.313 0.459 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC001342350525 953285291 /nfs/dbraw/zinc/28/52/91/953285291.db2.gz SNJSYQZRGGMTBW-NSHDSACASA-N 1 0 310.354 0.313 20 5 DCBDRO COc1ccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001347921554 954179077 /nfs/dbraw/zinc/17/90/77/954179077.db2.gz SFNGZDVKXCLANF-HNNXBMFYSA-N 1 0 323.349 0.742 20 5 DCBDRO COC[C@]1(c2nc(-c3c([N+](=O)[O-])ncn3C)no2)CC[NH2+]C1 ZINC001349005490 954563798 /nfs/dbraw/zinc/56/37/98/954563798.db2.gz OPRUBMDBAWMYSR-LBPRGKRZSA-N 1 0 308.298 0.256 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001350863263 955207893 /nfs/dbraw/zinc/20/78/93/955207893.db2.gz ZJLBUZRBONTTMV-IAQYHMDHSA-N 1 0 316.361 0.872 20 5 DCBDRO O=C([C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC001355016962 956579153 /nfs/dbraw/zinc/57/91/53/956579153.db2.gz YBMCHSNJKQMHBT-GJZGRUSLSA-N 1 0 318.377 0.720 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1C[N@H+](C)CCN1C ZINC001293745159 957422839 /nfs/dbraw/zinc/42/28/39/957422839.db2.gz OOIPAQFDJVBBHJ-GXFFZTMASA-N 1 0 321.381 0.541 20 5 DCBDRO C[C@@H]1[C@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303798409 960065864 /nfs/dbraw/zinc/06/58/64/960065864.db2.gz AUFDGDCFCQMSSQ-ZWNOBZJWSA-N 1 0 320.349 0.533 20 5 DCBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001307208643 960145015 /nfs/dbraw/zinc/14/50/15/960145015.db2.gz MZGSMZNQGLXHIX-UHFFFAOYSA-N 1 0 322.365 0.823 20 5 DCBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)c1 ZINC001308036014 960163718 /nfs/dbraw/zinc/16/37/18/960163718.db2.gz TVRILTQQGJROAD-SNVBAGLBSA-N 1 0 304.310 0.976 20 5 DCBDRO COc1c(C(=O)N[C@H](CO)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC001450598786 1015239933 /nfs/dbraw/zinc/23/99/33/1015239933.db2.gz FEWNCEMXWPGMCD-NSHDSACASA-N 1 0 323.349 0.790 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001464229802 1015890295 /nfs/dbraw/zinc/89/02/95/1015890295.db2.gz CWERPHCXZQQJGC-RYUDHWBXSA-N 1 0 320.349 0.500 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC001471373989 1016565102 /nfs/dbraw/zinc/56/51/02/1016565102.db2.gz OAZKAMNOLVGDNT-CQSZACIVSA-N 1 0 308.338 0.316 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC([NH2+]C2CCOCC2)C1 ZINC001455808755 1009980560 /nfs/dbraw/zinc/98/05/60/1009980560.db2.gz SXIZQEVMJNKXKG-UHFFFAOYSA-N 1 0 323.353 0.161 20 5 DCBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C[C@@]2(C)C1 ZINC001557740867 1012299213 /nfs/dbraw/zinc/29/92/13/1012299213.db2.gz QYBVQZHSGOYOSE-GASCZTMLSA-N 1 0 319.365 0.986 20 5 DCBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](CO)[C@H](CCO)C2)cc1 ZINC001560230872 1012444423 /nfs/dbraw/zinc/44/44/23/1012444423.db2.gz ISJAAYASRHKUJM-CHWSQXEVSA-N 1 0 310.350 0.896 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])[C@]12C[NH2+]C[C@H]1CCO2 ZINC001548544268 1012692122 /nfs/dbraw/zinc/69/21/22/1012692122.db2.gz BREORIDKPRPAED-DOMZBBRYSA-N 1 0 305.334 0.632 20 5 DCBDRO CC(C)(O)C[C@H](O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001460622245 1012947470 /nfs/dbraw/zinc/94/74/70/1012947470.db2.gz USLREGBSDULJQP-ZFWWWQNUSA-N 1 0 312.366 0.914 20 5 DCBDRO CC(C)(O)C[C@@H](O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001460622244 1012947790 /nfs/dbraw/zinc/94/77/90/1012947790.db2.gz USLREGBSDULJQP-UKRRQHHQSA-N 1 0 312.366 0.914 20 5 DCBDRO Cn1nccc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001461736515 1013039489 /nfs/dbraw/zinc/03/94/89/1013039489.db2.gz VEXFPHRARPIHQK-ZIAGYGMSSA-N 1 0 306.322 0.512 20 5 DCBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000090322190 185290858 /nfs/dbraw/zinc/29/08/58/185290858.db2.gz WQRJRPDGDZJZRE-PHIMTYICSA-N 1 0 311.363 0.743 20 5 DCBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330892571 529929409 /nfs/dbraw/zinc/92/94/09/529929409.db2.gz JBLNNEDFQLGZMH-NSHDSACASA-N 1 0 310.358 0.519 20 5 DCBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184602248 529948609 /nfs/dbraw/zinc/94/86/09/529948609.db2.gz FMYCVCROGBNMAX-SNVBAGLBSA-N 1 0 307.354 0.986 20 5 DCBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000286838362 219189782 /nfs/dbraw/zinc/18/97/82/219189782.db2.gz WMMNIJUBZLLETQ-QMMMGPOBSA-N 1 0 305.331 0.962 20 5 DCBDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000172292995 198072048 /nfs/dbraw/zinc/07/20/48/198072048.db2.gz NOZGXMYJTMYGHB-NSHDSACASA-N 1 0 320.349 0.943 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])n1 ZINC000332603782 235180374 /nfs/dbraw/zinc/18/03/74/235180374.db2.gz ADJOOTAMMRJHRH-SECBINFHSA-N 1 0 317.371 0.136 20 5 DCBDRO O=C([C@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078426696 191860291 /nfs/dbraw/zinc/86/02/91/191860291.db2.gz NJVZEWNRDJODQD-CQSZACIVSA-N 1 0 304.350 0.995 20 5 DCBDRO CNC(=O)[C@H](C)C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000081526480 192283810 /nfs/dbraw/zinc/28/38/10/192283810.db2.gz IYRIFLLQGLVCBW-LLVKDONJSA-N 1 0 322.365 0.872 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000566101651 291269093 /nfs/dbraw/zinc/26/90/93/291269093.db2.gz HFQBWAJSZNYCAN-LLVKDONJSA-N 1 0 309.370 0.994 20 5 DCBDRO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281527731 216362600 /nfs/dbraw/zinc/36/26/00/216362600.db2.gz ZUJFIQGISVKLRE-PWSUYJOCSA-N 1 0 314.342 0.426 20 5 DCBDRO Cc1nn(CCC(=O)N[C@H](CC[NH3+])C(F)F)c(C)c1[N+](=O)[O-] ZINC000566213636 291283237 /nfs/dbraw/zinc/28/32/37/291283237.db2.gz ZCVHCIHEDLZTMX-SECBINFHSA-N 1 0 319.312 0.897 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415387136 239567273 /nfs/dbraw/zinc/56/72/73/239567273.db2.gz XLWSMUBYAVGNFD-LLVKDONJSA-N 1 0 306.322 0.710 20 5 DCBDRO COC(=O)c1cc(NC(=O)COC2C[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000430192961 240383919 /nfs/dbraw/zinc/38/39/19/240383919.db2.gz QBQJDVHMUTVFMP-UHFFFAOYSA-N 1 0 309.278 0.308 20 5 DCBDRO CS[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000271769966 209199023 /nfs/dbraw/zinc/19/90/23/209199023.db2.gz IMMOUIITIGCPAA-PSASIEDQSA-N 1 0 313.383 0.446 20 5 DCBDRO C[NH2+]CCCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000569087438 291460998 /nfs/dbraw/zinc/46/09/98/291460998.db2.gz XULPGSCAYHEXLB-UHFFFAOYSA-N 1 0 320.349 0.205 20 5 DCBDRO CNS(=O)(=O)c1ccc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC000096470161 193659961 /nfs/dbraw/zinc/65/99/61/193659961.db2.gz LFXVFGFQUQWXSG-UHFFFAOYSA-N 1 0 302.356 0.652 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264724096 204104572 /nfs/dbraw/zinc/10/45/72/204104572.db2.gz LTLYAKITMCLJLQ-CYBMUJFWSA-N 1 0 307.354 0.962 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266183121 205166276 /nfs/dbraw/zinc/16/62/76/205166276.db2.gz YZXBVFWTJKCHKP-AWEZNQCLSA-N 1 0 306.366 0.499 20 5 DCBDRO CN(C)[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000573282348 291622370 /nfs/dbraw/zinc/62/23/70/291622370.db2.gz BQRLNMOQPLBMGJ-QWHCGFSZSA-N 1 0 323.353 0.638 20 5 DCBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000338869840 253003495 /nfs/dbraw/zinc/00/34/95/253003495.db2.gz LRJVHDSYQNJRSD-NSHDSACASA-N 1 0 312.374 0.813 20 5 DCBDRO C[NH+](C)Cc1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000343006737 253579303 /nfs/dbraw/zinc/57/93/03/253579303.db2.gz JZVGCVCMXQSXPX-UHFFFAOYSA-N 1 0 318.337 0.564 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]([NH3+])C1 ZINC000346079710 254006576 /nfs/dbraw/zinc/00/65/76/254006576.db2.gz QTCSIYPMJCNUCU-JTQLQIEISA-N 1 0 308.338 0.965 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000346259589 254028555 /nfs/dbraw/zinc/02/85/55/254028555.db2.gz KLPKGNSHSHTEQI-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@H]2OC(F)F)c1 ZINC000348522769 254240707 /nfs/dbraw/zinc/24/07/07/254240707.db2.gz ZMUWJSJUBXIJDZ-OUAUKWLOSA-N 1 0 320.296 0.902 20 5 DCBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000276152802 285472347 /nfs/dbraw/zinc/47/23/47/285472347.db2.gz FADUMVHEZPEZGP-GFCCVEGCSA-N 1 0 317.367 0.774 20 5 DCBDRO O=C([C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)N1CC[NH2+]CC1 ZINC000031946539 395709080 /nfs/dbraw/zinc/70/90/80/395709080.db2.gz NLUSCMSLGBOURR-LBPRGKRZSA-N 1 0 319.365 0.638 20 5 DCBDRO CN(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(CO)CO ZINC000193978340 395783761 /nfs/dbraw/zinc/78/37/61/395783761.db2.gz ZXDLBVMACOGJKD-UHFFFAOYSA-N 1 0 313.310 0.926 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000044897827 395759547 /nfs/dbraw/zinc/75/95/47/395759547.db2.gz CUGJCGAVGCASPQ-UHFFFAOYSA-N 1 0 310.329 0.944 20 5 DCBDRO CC[N@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000102479274 395770513 /nfs/dbraw/zinc/77/05/13/395770513.db2.gz NVYDXGMQULJSPT-UHFFFAOYSA-N 1 0 310.354 0.603 20 5 DCBDRO COc1cc(C(=O)N2CC([NH+](C)C)C2)cc([N+](=O)[O-])c1OC ZINC000270839999 395814630 /nfs/dbraw/zinc/81/46/30/395814630.db2.gz MQNMVSRHCHRWME-UHFFFAOYSA-N 1 0 309.322 0.998 20 5 DCBDRO COc1cc(S(=O)(=O)N2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000237228359 395908105 /nfs/dbraw/zinc/90/81/05/395908105.db2.gz WDYUCGDUYOVTEL-VIFPVBQESA-N 1 0 315.351 0.715 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCN1CC[NH2+]CC1 ZINC000238104618 395921273 /nfs/dbraw/zinc/92/12/73/395921273.db2.gz OOMXIALIQAQLNC-UHFFFAOYSA-N 1 0 306.366 0.549 20 5 DCBDRO CC(C)(C)C[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226087920 395865002 /nfs/dbraw/zinc/86/50/02/395865002.db2.gz VRXMOZPXBYTOQL-VXGBXAGGSA-N 1 0 300.359 0.539 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)CSc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000274814058 395978463 /nfs/dbraw/zinc/97/84/63/395978463.db2.gz REYLHLUZBDRYEA-NSHDSACASA-N 1 0 311.363 0.873 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000065873328 395997999 /nfs/dbraw/zinc/99/79/99/395997999.db2.gz BUBPLMSERJFGRH-UHFFFAOYSA-N 1 0 307.354 0.654 20 5 DCBDRO CCC[NH2+]CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000154116516 396031419 /nfs/dbraw/zinc/03/14/19/396031419.db2.gz WWYMBPJRUVNRBR-UHFFFAOYSA-N 1 0 318.337 0.905 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000156856610 396061907 /nfs/dbraw/zinc/06/19/07/396061907.db2.gz RKBZNRJWHPUIIR-UHFFFAOYSA-N 1 0 303.340 0.573 20 5 DCBDRO C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000157424503 396063207 /nfs/dbraw/zinc/06/32/07/396063207.db2.gz MZJXBKOSUZAQQR-SMDDNHRTSA-N 1 0 307.350 0.973 20 5 DCBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000261769822 396064514 /nfs/dbraw/zinc/06/45/14/396064514.db2.gz NWDOVQFJAGMZCZ-LLVKDONJSA-N 1 0 305.342 0.171 20 5 DCBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@H]12 ZINC000261788788 396066227 /nfs/dbraw/zinc/06/62/27/396066227.db2.gz XOJCUFXNSPZPEQ-TVYUQYBPSA-N 1 0 311.363 0.953 20 5 DCBDRO COc1ccc(NC(=O)CCN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261804190 396067828 /nfs/dbraw/zinc/06/78/28/396067828.db2.gz LZWOKGIVTWCQMZ-UHFFFAOYSA-N 1 0 308.338 0.837 20 5 DCBDRO COC(=O)[C@H]1C[C@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000276592623 396013303 /nfs/dbraw/zinc/01/33/03/396013303.db2.gz KQQGIAUVJNPFKB-GXTWGEPZSA-N 1 0 324.333 0.972 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278083366 396104702 /nfs/dbraw/zinc/10/47/02/396104702.db2.gz HMTUGVOFYDUNCQ-LDYMZIIASA-N 1 0 306.322 0.908 20 5 DCBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262523088 396149933 /nfs/dbraw/zinc/14/99/33/396149933.db2.gz OKNCNIQPGZLDKS-GFCCVEGCSA-N 1 0 304.350 0.715 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000177169552 396167933 /nfs/dbraw/zinc/16/79/33/396167933.db2.gz XNPVEWNWEJCHAL-WPRPVWTQSA-N 1 0 307.354 0.992 20 5 DCBDRO CCOC(=O)C[C@@H](C)[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000182653495 396252473 /nfs/dbraw/zinc/25/24/73/396252473.db2.gz CEHMNFUVSGWBCT-PWSUYJOCSA-N 1 0 314.342 0.426 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000264273855 396265478 /nfs/dbraw/zinc/26/54/78/396265478.db2.gz MFVKUPLMXTVLIW-UHFFFAOYSA-N 1 0 310.329 0.711 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264401603 396276458 /nfs/dbraw/zinc/27/64/58/396276458.db2.gz MJWAEBQPGTYNIA-NSHDSACASA-N 1 0 321.381 0.742 20 5 DCBDRO CN(CCC[NH+](C)C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183973367 396279078 /nfs/dbraw/zinc/27/90/78/396279078.db2.gz ASXHXUBFAHORFS-UHFFFAOYSA-N 1 0 316.383 0.630 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264478493 396283455 /nfs/dbraw/zinc/28/34/55/396283455.db2.gz HLIMTWVDVUHJQP-LBPRGKRZSA-N 1 0 307.354 0.878 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000264450014 396280979 /nfs/dbraw/zinc/28/09/79/396280979.db2.gz PKKRYCJYDCGPDU-GFCCVEGCSA-N 1 0 306.366 0.961 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000081290834 396296019 /nfs/dbraw/zinc/29/60/19/396296019.db2.gz WPHOBSLJNXSEAU-LBPRGKRZSA-N 1 0 322.369 0.567 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cn3cncn3)CC2)n1 ZINC000186239273 396346365 /nfs/dbraw/zinc/34/63/65/396346365.db2.gz RGQIIEIVAHWUSW-UHFFFAOYSA-N 1 0 305.342 0.795 20 5 DCBDRO Cc1nn(CCC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c(C)c1[N+](=O)[O-] ZINC000186794811 396358083 /nfs/dbraw/zinc/35/80/83/396358083.db2.gz NIJDZUFLRWRNMM-BXKDBHETSA-N 1 0 309.370 0.912 20 5 DCBDRO COCC[N@@H+]1CC[C@H](Nc2nc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000286427406 396394391 /nfs/dbraw/zinc/39/43/91/396394391.db2.gz BMUZQMFTJGUIMZ-JTQLQIEISA-N 1 0 324.337 0.909 20 5 DCBDRO CC[NH+](CC)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000269264702 396402036 /nfs/dbraw/zinc/40/20/36/396402036.db2.gz CSDIJKLUOLWLBB-UHFFFAOYSA-N 1 0 316.383 0.996 20 5 DCBDRO C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580184381 396491602 /nfs/dbraw/zinc/49/16/02/396491602.db2.gz XUSZTSKQSOPIPQ-NNJUXLKUSA-N 1 0 316.379 0.691 20 5 DCBDRO COC[C@@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000580708709 396494510 /nfs/dbraw/zinc/49/45/10/396494510.db2.gz NULXEDWAFBZNPB-OAHLLOKOSA-N 1 0 323.349 0.716 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000519603302 396519914 /nfs/dbraw/zinc/51/99/14/396519914.db2.gz HQENLGIJDYLZMU-RKDXNWHRSA-N 1 0 324.337 0.784 20 5 DCBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000581126359 396527959 /nfs/dbraw/zinc/52/79/59/396527959.db2.gz GUDQBSFVTAMDOI-UBHSHLNASA-N 1 0 312.370 0.945 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc1 ZINC000595107857 396549392 /nfs/dbraw/zinc/54/93/92/396549392.db2.gz GQMDFFKNGVVBQM-GXSJLCMTSA-N 1 0 312.351 0.362 20 5 DCBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000595119402 396551912 /nfs/dbraw/zinc/55/19/12/396551912.db2.gz STHRGBCZYOVPIU-SSDOTTSWSA-N 1 0 321.330 0.629 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000595240952 396568470 /nfs/dbraw/zinc/56/84/70/396568470.db2.gz XZSUJKADZFJFSE-UHFFFAOYSA-N 1 0 324.337 0.738 20 5 DCBDRO CC(C)[C@H](CNC(=O)c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000562398396 396661449 /nfs/dbraw/zinc/66/14/49/396661449.db2.gz JJVVEPLGNHNPHS-LBPRGKRZSA-N 1 0 324.385 0.320 20 5 DCBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860177 396695901 /nfs/dbraw/zinc/69/59/01/396695901.db2.gz FDVOMOHTGUMBOO-WDEREUQCSA-N 1 0 311.363 0.937 20 5 DCBDRO COc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000588869444 396696975 /nfs/dbraw/zinc/69/69/75/396696975.db2.gz PUFPOUWRCRMXNR-LBPRGKRZSA-N 1 0 323.349 0.790 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000588864355 396697075 /nfs/dbraw/zinc/69/70/75/396697075.db2.gz FOKLNLCNXJJWOX-QMMMGPOBSA-N 1 0 301.730 0.901 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000588869319 396697276 /nfs/dbraw/zinc/69/72/76/396697276.db2.gz MPIJZQLCHJLHGN-CYBMUJFWSA-N 1 0 307.350 0.710 20 5 DCBDRO C[C@@]1(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595991343 396704808 /nfs/dbraw/zinc/70/48/08/396704808.db2.gz HHEOEAQADYQVAS-CQSZACIVSA-N 1 0 316.321 0.657 20 5 DCBDRO NC(=O)c1ccc(NCCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000596087980 396716229 /nfs/dbraw/zinc/71/62/29/396716229.db2.gz IWFHEDIILLLSDW-UHFFFAOYSA-N 1 0 322.365 0.952 20 5 DCBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000589583204 396718487 /nfs/dbraw/zinc/71/84/87/396718487.db2.gz RBMIWWTUHKLCQP-WCBMZHEXSA-N 1 0 309.326 0.220 20 5 DCBDRO Cn1c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000610913268 396782271 /nfs/dbraw/zinc/78/22/71/396782271.db2.gz MTXHUCMWRZBTSB-LBPRGKRZSA-N 1 0 322.365 0.916 20 5 DCBDRO CNc1ccc(C(=O)NCC[N@H+](C)CCOC)cc1[N+](=O)[O-] ZINC000315530319 396790741 /nfs/dbraw/zinc/79/07/41/396790741.db2.gz GYVAMAAABCNDCN-UHFFFAOYSA-N 1 0 310.354 0.945 20 5 DCBDRO C[C@H](NC(=O)c1cn(CC[NH3+])nn1)c1cccc([N+](=O)[O-])c1 ZINC000316190959 396794355 /nfs/dbraw/zinc/79/43/55/396794355.db2.gz XWCWRLMWCZFVSC-VIFPVBQESA-N 1 0 304.310 0.636 20 5 DCBDRO C[C@@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000596238877 396740564 /nfs/dbraw/zinc/74/05/64/396740564.db2.gz ZZLNZMSJTMSKNA-VIFPVBQESA-N 1 0 316.383 0.852 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)OCO3)c1 ZINC000320597444 396814052 /nfs/dbraw/zinc/81/40/52/396814052.db2.gz BVRXOAIZBAZVKW-LBPRGKRZSA-N 1 0 320.305 0.671 20 5 DCBDRO COc1ccc(CC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600530333 396883802 /nfs/dbraw/zinc/88/38/02/396883802.db2.gz CNZKRFIXGSQFEH-GFCCVEGCSA-N 1 0 323.349 0.329 20 5 DCBDRO O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN([C@@H]2CCOC2)CC1 ZINC000611558532 396886417 /nfs/dbraw/zinc/88/64/17/396886417.db2.gz CREAYFSYAVKKKY-GFCCVEGCSA-N 1 0 321.333 0.847 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591348036 396904114 /nfs/dbraw/zinc/90/41/14/396904114.db2.gz XSHAHMQWDDFJLN-ZDUSSCGKSA-N 1 0 307.354 0.298 20 5 DCBDRO [NH3+]CC1(O)CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000564950768 396909572 /nfs/dbraw/zinc/90/95/72/396909572.db2.gz COLJNNSQJKFURS-UHFFFAOYSA-N 1 0 307.350 0.840 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000591419264 396917722 /nfs/dbraw/zinc/91/77/22/396917722.db2.gz UKIHHZUKJWBICK-SNVBAGLBSA-N 1 0 320.349 0.549 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600808054 396946472 /nfs/dbraw/zinc/94/64/72/396946472.db2.gz GVPHCCKQQXTSNP-JTQLQIEISA-N 1 0 318.333 0.873 20 5 DCBDRO O=C1NCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000591735166 396994207 /nfs/dbraw/zinc/99/42/07/396994207.db2.gz WOXDKPQYUWXHPU-NEPJUHHUSA-N 1 0 323.349 0.450 20 5 DCBDRO CC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000591743026 396995658 /nfs/dbraw/zinc/99/56/58/396995658.db2.gz XWMNSHKQKGQCEA-SNVBAGLBSA-N 1 0 317.367 0.234 20 5 DCBDRO COCC1(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000591768686 397001608 /nfs/dbraw/zinc/00/16/08/397001608.db2.gz YMJRIUXRNYZZSW-ZDUSSCGKSA-N 1 0 312.370 0.949 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2COc3ccccc32)c1 ZINC000571636781 396971739 /nfs/dbraw/zinc/97/17/39/396971739.db2.gz QGRNZIMHDLRBPN-WCQYABFASA-N 1 0 318.333 0.918 20 5 DCBDRO COc1cc(C(=O)N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000597654232 397046591 /nfs/dbraw/zinc/04/65/91/397046591.db2.gz PZIAYPUBQOHXKF-QMMMGPOBSA-N 1 0 315.301 0.395 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000597654509 397046733 /nfs/dbraw/zinc/04/67/33/397046733.db2.gz SDGAPNSJAYVGEI-SNVBAGLBSA-N 1 0 313.379 0.726 20 5 DCBDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592205217 397127011 /nfs/dbraw/zinc/12/70/11/397127011.db2.gz VTOJCYWOBUSAPY-AAEUAGOBSA-N 1 0 324.333 0.829 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592306622 397148200 /nfs/dbraw/zinc/14/82/00/397148200.db2.gz CYSJWMKGCXSOQP-GXSJLCMTSA-N 1 0 311.342 0.064 20 5 DCBDRO COc1ccc(CC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592308461 397149565 /nfs/dbraw/zinc/14/95/65/397149565.db2.gz MYDWGLSWVOIGCL-HZMBPMFUSA-N 1 0 323.349 0.721 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592307372 397149831 /nfs/dbraw/zinc/14/98/31/397149831.db2.gz GOGJKUWZQUAVCU-ZWNOBZJWSA-N 1 0 309.322 0.548 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000592366685 397160068 /nfs/dbraw/zinc/16/00/68/397160068.db2.gz APWVYIPFEHUGPQ-VIFPVBQESA-N 1 0 315.351 0.634 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]([NH3+])C(C)C ZINC000592370535 397162870 /nfs/dbraw/zinc/16/28/70/397162870.db2.gz MJEBZLYFQVWGTD-SECBINFHSA-N 1 0 317.367 0.865 20 5 DCBDRO [NH3+]C[C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000592471522 397186001 /nfs/dbraw/zinc/18/60/01/397186001.db2.gz VUJVMUOKNXSHKK-NSHDSACASA-N 1 0 313.379 0.649 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000592548811 397207465 /nfs/dbraw/zinc/20/74/65/397207465.db2.gz FHCQXVRDPZKQKZ-CYBMUJFWSA-N 1 0 321.333 0.880 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592568745 397219531 /nfs/dbraw/zinc/21/95/31/397219531.db2.gz XUAFZBJKYTWNMY-AXFHLTTASA-N 1 0 322.365 0.955 20 5 DCBDRO O=C(NCC(=O)N1CCC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000598661995 397270190 /nfs/dbraw/zinc/27/01/90/397270190.db2.gz LNSWBSWROINEGO-UHFFFAOYSA-N 1 0 321.337 0.538 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598661508 397270243 /nfs/dbraw/zinc/27/02/43/397270243.db2.gz GTKBBCYMFYKXAG-VIFPVBQESA-N 1 0 309.326 0.570 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381454293 397272029 /nfs/dbraw/zinc/27/20/29/397272029.db2.gz HQDIBTRPUVHFGG-HTQZYQBOSA-N 1 0 303.340 0.617 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381518756 397272770 /nfs/dbraw/zinc/27/27/70/397272770.db2.gz WUNFMPAPHGNVMY-HTQZYQBOSA-N 1 0 303.340 0.617 20 5 DCBDRO CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC000601979508 397279801 /nfs/dbraw/zinc/27/98/01/397279801.db2.gz IJCNTQQKHKPQLS-NSHDSACASA-N 1 0 303.322 0.651 20 5 DCBDRO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365517631 397289833 /nfs/dbraw/zinc/28/98/33/397289833.db2.gz UFCVONGKHCOOCY-QMMMGPOBSA-N 1 0 310.314 0.012 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000389922515 397298594 /nfs/dbraw/zinc/29/85/94/397298594.db2.gz TUSNJLLZCAENEI-NSHDSACASA-N 1 0 315.351 0.252 20 5 DCBDRO COCC[N@@H+]1CC[C@H](Nc2nccc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC000598594788 397253111 /nfs/dbraw/zinc/25/31/11/397253111.db2.gz CPPIUDLZFQAAPW-JTQLQIEISA-N 1 0 324.337 0.909 20 5 DCBDRO CCOC(=O)c1ccnc(NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599199786 397361280 /nfs/dbraw/zinc/36/12/80/397361280.db2.gz PZCVTNAYHFMIGT-JTQLQIEISA-N 1 0 324.337 0.645 20 5 DCBDRO C[C@H]1C[C@H]([NH3+])CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577289606 397320654 /nfs/dbraw/zinc/32/06/54/397320654.db2.gz APSBHNRQMVSCRN-DTWKUNHWSA-N 1 0 300.340 0.490 20 5 DCBDRO COc1ccc(CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000593679744 397425550 /nfs/dbraw/zinc/42/55/50/397425550.db2.gz JOTJKXIEWUHCPK-CYBMUJFWSA-N 1 0 307.350 0.854 20 5 DCBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)C2 ZINC000593709285 397429803 /nfs/dbraw/zinc/42/98/03/397429803.db2.gz YUKAUWJKWINGKP-FZMZJTMJSA-N 1 0 322.369 0.562 20 5 DCBDRO CN1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000602528054 397430717 /nfs/dbraw/zinc/43/07/17/397430717.db2.gz OJXGHIVHYQBUTL-LBPRGKRZSA-N 1 0 319.365 0.779 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000578132187 397394953 /nfs/dbraw/zinc/39/49/53/397394953.db2.gz QVFBYJCCWAZCHI-NXEZZACHSA-N 1 0 312.351 0.362 20 5 DCBDRO COC(=O)[C@H]1C[C@@H](OC)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000370342673 397472037 /nfs/dbraw/zinc/47/20/37/397472037.db2.gz LFMUUJPVIMYWPC-NWDGAFQWSA-N 1 0 312.326 0.444 20 5 DCBDRO C[NH+](C)CC[C@@H](N)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000593902800 397473503 /nfs/dbraw/zinc/47/35/03/397473503.db2.gz WRVUSZFGLIANPP-LLVKDONJSA-N 1 0 309.370 0.402 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000602781312 397483733 /nfs/dbraw/zinc/48/37/33/397483733.db2.gz SJBZVSRRNMRKLU-AWEZNQCLSA-N 1 0 323.397 0.754 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594204685 397513493 /nfs/dbraw/zinc/51/34/93/397513493.db2.gz WRAPIXARHQSROI-OLZOCXBDSA-N 1 0 307.354 0.924 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000602890191 397513619 /nfs/dbraw/zinc/51/36/19/397513619.db2.gz XJHLJHLQMAMCGV-NWDGAFQWSA-N 1 0 307.354 0.700 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)C[C@H]21 ZINC000600000048 397559661 /nfs/dbraw/zinc/55/96/61/397559661.db2.gz LLMZCBSZOFGKKB-IWIIMEHWSA-N 1 0 319.317 0.956 20 5 DCBDRO COc1ccc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000599770599 397524466 /nfs/dbraw/zinc/52/44/66/397524466.db2.gz OSYPSASZGVCLCO-LLVKDONJSA-N 1 0 324.337 0.792 20 5 DCBDRO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000603633184 397618193 /nfs/dbraw/zinc/61/81/93/397618193.db2.gz JTMCJYYZCRHOBQ-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO O=C(C[NH+]1CCCC1)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609132806 397761371 /nfs/dbraw/zinc/76/13/71/397761371.db2.gz JYPJHRWCVLXMTN-UHFFFAOYSA-N 1 0 319.365 0.734 20 5 DCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])cn2C)C1 ZINC000609268804 397768351 /nfs/dbraw/zinc/76/83/51/397768351.db2.gz CGDOQSSDLRHOQM-NSHDSACASA-N 1 0 310.354 0.774 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609311746 397769734 /nfs/dbraw/zinc/76/97/34/397769734.db2.gz VIGISRNRQPSTOU-LLVKDONJSA-N 1 0 309.370 0.299 20 5 DCBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000609619921 397786766 /nfs/dbraw/zinc/78/67/66/397786766.db2.gz PJMSWGRXLVUQPW-NSHDSACASA-N 1 0 308.338 0.167 20 5 DCBDRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000609881550 397795481 /nfs/dbraw/zinc/79/54/81/397795481.db2.gz WMFOESSASPDKOY-VXGBXAGGSA-N 1 0 319.365 0.954 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000075685407 158062465 /nfs/dbraw/zinc/06/24/65/158062465.db2.gz NQMXFXIBJLVZKU-JSGCOSHPSA-N 1 0 309.370 0.322 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000126853200 158268662 /nfs/dbraw/zinc/26/86/62/158268662.db2.gz ZMOUVQBEHOTGOZ-MRVPVSSYSA-N 1 0 319.314 0.001 20 5 DCBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000127100816 158270417 /nfs/dbraw/zinc/27/04/17/158270417.db2.gz FOERPAWEUOPUKS-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO C[NH2+][C@H]1CCN(Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)C1 ZINC000261930612 158755637 /nfs/dbraw/zinc/75/56/37/158755637.db2.gz LMZYDEFBNYLKQI-LBPRGKRZSA-N 1 0 323.349 0.940 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000320777061 159010962 /nfs/dbraw/zinc/01/09/62/159010962.db2.gz LUKUSPFPLLUDBY-NWDGAFQWSA-N 1 0 320.349 0.770 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368050086 159372063 /nfs/dbraw/zinc/37/20/63/159372063.db2.gz YPOHUGKVNFLIHK-WDEREUQCSA-N 1 0 320.349 0.770 20 5 DCBDRO CN(c1ncc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368176867 159379324 /nfs/dbraw/zinc/37/93/24/159379324.db2.gz CPVZRCYHZYSVFG-ZDUSSCGKSA-N 1 0 320.397 0.990 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000368273357 159385145 /nfs/dbraw/zinc/38/51/45/159385145.db2.gz QFDGYMCPUDPGIW-DZGCQCFKSA-N 1 0 324.381 0.901 20 5 DCBDRO O=C1[C@@H]([N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368333705 159388180 /nfs/dbraw/zinc/38/81/80/159388180.db2.gz URGGPPFAKNAEKD-YJNKXOJESA-N 1 0 317.345 0.870 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420296260 287286695 /nfs/dbraw/zinc/28/66/95/287286695.db2.gz WYLVUHOFPGQLBT-LBPRGKRZSA-N 1 0 313.379 0.792 20 5 DCBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CC[NH2+]C1 ZINC000269145981 415248863 /nfs/dbraw/zinc/24/88/63/415248863.db2.gz DDRLAKGSMUXUKD-SECBINFHSA-N 1 0 307.306 0.800 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000332122408 415255776 /nfs/dbraw/zinc/25/57/76/415255776.db2.gz WXXVKJYALXATMQ-NSHDSACASA-N 1 0 323.353 0.123 20 5 DCBDRO COC[C@H]1CCCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000342741280 415275951 /nfs/dbraw/zinc/27/59/51/415275951.db2.gz NABYZXZTGSMLSP-JSGCOSHPSA-N 1 0 312.370 0.901 20 5 DCBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164719 415276094 /nfs/dbraw/zinc/27/60/94/415276094.db2.gz WPCJYGVEHOGCHY-IPYPFGDCSA-N 1 0 323.397 0.711 20 5 DCBDRO COc1ccc(OCC[N@H+](C)[C@H]2COC[C@@H]2O)c([N+](=O)[O-])c1 ZINC000352792130 415320048 /nfs/dbraw/zinc/32/00/48/415320048.db2.gz KRNSERRIQRRCBP-STQMWFEESA-N 1 0 312.322 0.674 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353021378 415410612 /nfs/dbraw/zinc/41/06/12/415410612.db2.gz JTDVFVVYBUUGCW-ONGXEEELSA-N 1 0 320.296 0.713 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000276109688 415428351 /nfs/dbraw/zinc/42/83/51/415428351.db2.gz AMLZOCZNBWLBJC-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000278346726 415487559 /nfs/dbraw/zinc/48/75/59/415487559.db2.gz VOZSYYILLOORJL-SNVBAGLBSA-N 1 0 323.353 0.383 20 5 DCBDRO CCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)(C)O ZINC000353485809 415562376 /nfs/dbraw/zinc/56/23/76/415562376.db2.gz DNZFRQINOOVVLP-LBPRGKRZSA-N 1 0 300.359 0.635 20 5 DCBDRO CCCC[N@H+](C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343496786 415618834 /nfs/dbraw/zinc/61/88/34/415618834.db2.gz WRUZJPOQBDJRKL-UHFFFAOYSA-N 1 0 310.354 0.605 20 5 DCBDRO C[C@H]1[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[N@@H+]1C ZINC000343433705 415597886 /nfs/dbraw/zinc/59/78/86/415597886.db2.gz GSXWOAWNPUGBIT-JQWIXIFHSA-N 1 0 308.338 0.355 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000354062679 415737656 /nfs/dbraw/zinc/73/76/56/415737656.db2.gz CCEOWQPYMIZIET-LLVKDONJSA-N 1 0 323.353 0.645 20 5 DCBDRO CCC[C@@]1(CO)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000344127286 415844834 /nfs/dbraw/zinc/84/48/34/415844834.db2.gz JMKGCHUECBDCEW-UONOGXRCSA-N 1 0 312.370 0.637 20 5 DCBDRO CS[C@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1[NH+]1CCCC1 ZINC000356114975 415873747 /nfs/dbraw/zinc/87/37/47/415873747.db2.gz JFLXVCIXMRWDFU-QWRGUYRKSA-N 1 0 324.410 0.983 20 5 DCBDRO COc1cc(S(=O)(=O)N2CC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000125079696 415860097 /nfs/dbraw/zinc/86/00/97/415860097.db2.gz HLUVGPQGHBMTIX-QMMMGPOBSA-N 1 0 301.324 0.325 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301347624 416082136 /nfs/dbraw/zinc/08/21/36/416082136.db2.gz HUTLZJOYADZDHY-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO CCc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358059763 416182741 /nfs/dbraw/zinc/18/27/41/416182741.db2.gz DMSGRWGEUKIHGO-HNNXBMFYSA-N 1 0 307.350 0.954 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc([N+](=O)[O-])n1C ZINC000347704578 416221324 /nfs/dbraw/zinc/22/13/24/416221324.db2.gz WWJOBPOWQOOHTF-UHFFFAOYSA-N 1 0 323.397 0.643 20 5 DCBDRO CCCN(CC[NH+]1CCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000342245742 416300629 /nfs/dbraw/zinc/30/06/29/416300629.db2.gz KCNWIZMYJRQEIU-UHFFFAOYSA-N 1 0 310.358 0.521 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000416493255 416372587 /nfs/dbraw/zinc/37/25/87/416372587.db2.gz DHTFUCMXKIJUBN-LBPRGKRZSA-N 1 0 313.379 0.966 20 5 DCBDRO Cc1c(CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000360525422 416394282 /nfs/dbraw/zinc/39/42/82/416394282.db2.gz AUOCEQFVZAGXAS-HNNXBMFYSA-N 1 0 318.377 0.909 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000419036359 416396240 /nfs/dbraw/zinc/39/62/40/416396240.db2.gz GHZCFTKXIYMALX-NSHDSACASA-N 1 0 320.349 0.074 20 5 DCBDRO COC(=O)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423285784 416485078 /nfs/dbraw/zinc/48/50/78/416485078.db2.gz YRHABSWAQLTIKQ-ONGXEEELSA-N 1 0 309.322 0.971 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000423678163 416539777 /nfs/dbraw/zinc/53/97/77/416539777.db2.gz KPPMPQHNSTVCPV-VHSXEESVSA-N 1 0 308.338 0.485 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3F)CCN2C1=O ZINC000584183247 416508698 /nfs/dbraw/zinc/50/86/98/416508698.db2.gz AKSGSRJKQVHFHF-CABZTGNLSA-N 1 0 322.296 0.118 20 5 DCBDRO COC(=O)c1cc(C(=O)NC[C@@H]([NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000423468662 416515632 /nfs/dbraw/zinc/51/56/32/416515632.db2.gz BRUMIEALDKWTGW-GFCCVEGCSA-N 1 0 307.306 0.849 20 5 DCBDRO Cc1c(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423808299 416570018 /nfs/dbraw/zinc/57/00/18/416570018.db2.gz KQBJNJUXGKJIRT-GFCCVEGCSA-N 1 0 320.349 0.388 20 5 DCBDRO CN1C(=O)NCC12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000425546720 416714447 /nfs/dbraw/zinc/71/44/47/416714447.db2.gz ULNHWQIXRKWVJJ-UHFFFAOYSA-N 1 0 308.342 0.281 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000429065438 287333340 /nfs/dbraw/zinc/33/33/40/287333340.db2.gz QBWAMVWESYQMAB-JTQLQIEISA-N 1 0 307.306 0.468 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000369825862 416833121 /nfs/dbraw/zinc/83/31/21/416833121.db2.gz LSYPDWQZSSNVKJ-ZFWWWQNUSA-N 1 0 323.397 0.712 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)CC2CCCC2)c1 ZINC000564978454 416901397 /nfs/dbraw/zinc/90/13/97/416901397.db2.gz NCQKNXFRJHNYMF-TZMCWYRMSA-N 1 0 312.370 0.683 20 5 DCBDRO [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC000521252233 417000084 /nfs/dbraw/zinc/00/00/84/417000084.db2.gz DDIXRUJZBQODDI-GFCCVEGCSA-N 1 0 320.357 0.179 20 5 DCBDRO C[NH2+][C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000430626750 287348027 /nfs/dbraw/zinc/34/80/27/287348027.db2.gz SEJDQIOSTZQGLH-LBPRGKRZSA-N 1 0 304.350 0.778 20 5 DCBDRO [NH3+]C1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000449354279 417141071 /nfs/dbraw/zinc/14/10/71/417141071.db2.gz LVQJOLPGYHSKIG-JTQLQIEISA-N 1 0 305.338 0.884 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000414662251 417293797 /nfs/dbraw/zinc/29/37/97/417293797.db2.gz QUAAPKNXVCNMFD-GFCCVEGCSA-N 1 0 307.354 0.928 20 5 DCBDRO CNc1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000570091376 417310954 /nfs/dbraw/zinc/31/09/54/417310954.db2.gz ISJVRBXTESVACZ-UHFFFAOYSA-N 1 0 308.338 0.562 20 5 DCBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000571283607 417440333 /nfs/dbraw/zinc/44/03/33/417440333.db2.gz VETAUZGQCOBPIR-UHFFFAOYSA-N 1 0 317.367 0.881 20 5 DCBDRO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000439011518 287380430 /nfs/dbraw/zinc/38/04/30/287380430.db2.gz ZEOFDLXPEHNLJE-LBPRGKRZSA-N 1 0 322.365 0.605 20 5 DCBDRO CC[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000531989455 417650263 /nfs/dbraw/zinc/65/02/63/417650263.db2.gz UVXWNLCRIBBTAP-ZDUSSCGKSA-N 1 0 321.381 0.979 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000440844401 287409736 /nfs/dbraw/zinc/40/97/36/287409736.db2.gz ISBPIWZHMXAMHC-IUCAKERBSA-N 1 0 317.371 0.088 20 5 DCBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532399877 417678362 /nfs/dbraw/zinc/67/83/62/417678362.db2.gz ANQRXPQVANAYFW-ZDUSSCGKSA-N 1 0 322.365 0.812 20 5 DCBDRO COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CCC[NH2+]1 ZINC000357276808 261523321 /nfs/dbraw/zinc/52/33/21/261523321.db2.gz UQQVBTFKNRWTHX-CQSZACIVSA-N 1 0 308.338 0.797 20 5 DCBDRO C[NH+](C)CC1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000357308783 261526852 /nfs/dbraw/zinc/52/68/52/261526852.db2.gz DSNNDKOFSFADMV-UHFFFAOYSA-N 1 0 307.354 0.867 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCC[NH3+] ZINC000357812929 261588292 /nfs/dbraw/zinc/58/82/92/261588292.db2.gz VBMQRAWLZAUBFE-JTQLQIEISA-N 1 0 312.374 0.682 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000394073998 262161761 /nfs/dbraw/zinc/16/17/61/262161761.db2.gz CQLDQBLZTUALJG-FMFIFOJESA-N 1 0 304.350 0.628 20 5 DCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413139571 262202381 /nfs/dbraw/zinc/20/23/81/262202381.db2.gz QUVXAGWQLYLKDD-LLVKDONJSA-N 1 0 311.317 0.881 20 5 DCBDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128779 262246914 /nfs/dbraw/zinc/24/69/14/262246914.db2.gz JGBAZLFDOWGVIX-MFKMUULPSA-N 1 0 308.338 0.943 20 5 DCBDRO CCCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC000417906258 262264834 /nfs/dbraw/zinc/26/48/34/262264834.db2.gz FHSLALMBECKELY-LLVKDONJSA-N 1 0 310.358 0.575 20 5 DCBDRO C[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000417913098 262264952 /nfs/dbraw/zinc/26/49/52/262264952.db2.gz PLAJKEOCBAYYEU-MNOVXSKESA-N 1 0 310.358 0.560 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000417917445 262265034 /nfs/dbraw/zinc/26/50/34/262265034.db2.gz WFIGZBCFLWFPNA-GFCCVEGCSA-N 1 0 310.358 0.608 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418774591 262288563 /nfs/dbraw/zinc/28/85/63/262288563.db2.gz DDCFASBLWZNQNT-WDEREUQCSA-N 1 0 320.349 0.592 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000418921408 262298349 /nfs/dbraw/zinc/29/83/49/262298349.db2.gz JFZLDNGZUZAMQB-NSHDSACASA-N 1 0 320.349 0.074 20 5 DCBDRO COC(=O)Cc1ccc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420284384 262369492 /nfs/dbraw/zinc/36/94/92/262369492.db2.gz YGRKPCUFNQOPKE-LBPRGKRZSA-N 1 0 322.365 0.626 20 5 DCBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420400191 262373203 /nfs/dbraw/zinc/37/32/03/262373203.db2.gz DEPLZZKHICHZCZ-GFCCVEGCSA-N 1 0 313.379 0.761 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc([N+](=O)[O-])c1 ZINC000423721310 262456591 /nfs/dbraw/zinc/45/65/91/262456591.db2.gz DZNJTHHMWUKABH-RNCFNFMXSA-N 1 0 319.317 0.815 20 5 DCBDRO C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C[NH3+] ZINC000424020591 262477682 /nfs/dbraw/zinc/47/76/82/262477682.db2.gz SRODKONOZISQEB-QWRGUYRKSA-N 1 0 308.338 0.200 20 5 DCBDRO CO[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359220105 271105914 /nfs/dbraw/zinc/10/59/14/271105914.db2.gz IJGHJJXWHWKNQJ-VXGBXAGGSA-N 1 0 322.365 0.971 20 5 DCBDRO C[C@H]([NH3+])CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420425166 271368664 /nfs/dbraw/zinc/36/86/64/271368664.db2.gz UBIAHHYQSDUUMU-JTQLQIEISA-N 1 0 301.368 0.794 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420445793 271371604 /nfs/dbraw/zinc/37/16/04/271371604.db2.gz SQUQLBTXWQDDNW-UWVGGRQHSA-N 1 0 301.368 0.792 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000422763685 271383346 /nfs/dbraw/zinc/38/33/46/271383346.db2.gz UJYYZJWUOCFTQG-NSHDSACASA-N 1 0 320.349 0.453 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422787212 271384694 /nfs/dbraw/zinc/38/46/94/271384694.db2.gz UAKIAYXYQVDMIJ-LLVKDONJSA-N 1 0 322.365 0.899 20 5 DCBDRO CN(C)C(=O)OC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000495792618 272273087 /nfs/dbraw/zinc/27/30/87/272273087.db2.gz IRDNDTMPPZTGAO-UHFFFAOYSA-N 1 0 311.342 0.954 20 5 DCBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000519759135 287680940 /nfs/dbraw/zinc/68/09/40/287680940.db2.gz JEPJYXJVSYBQPI-NTZNESFSSA-N 1 0 324.333 0.876 20 5 DCBDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000546799965 288030517 /nfs/dbraw/zinc/03/05/17/288030517.db2.gz ZBVDTTRYBSEOGU-UHFFFAOYSA-N 1 0 316.383 0.856 20 5 DCBDRO CC(C)OC(=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562985132 288612438 /nfs/dbraw/zinc/61/24/38/288612438.db2.gz IYEZSCKFKBNQNF-LLVKDONJSA-N 1 0 300.315 0.084 20 5 DCBDRO C[C@@H](Cc1ccncc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562991410 288613740 /nfs/dbraw/zinc/61/37/40/288613740.db2.gz NZKPVXOGZAOKNA-FZMZJTMJSA-N 1 0 305.338 0.768 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000563899340 288714104 /nfs/dbraw/zinc/71/41/04/288714104.db2.gz UEUPQIRVHFUCII-PSASIEDQSA-N 1 0 324.312 0.491 20 5 DCBDRO [NH3+][C@@H]1CC[C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000248577555 295323677 /nfs/dbraw/zinc/32/36/77/295323677.db2.gz DWIBEWROOSJZMA-HBNTYKKESA-N 1 0 311.363 0.953 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000394077946 337099074 /nfs/dbraw/zinc/09/90/74/337099074.db2.gz SWTVGQOFWZEWLQ-VIFPVBQESA-N 1 0 312.757 0.882 20 5 DCBDRO CN(CC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccccc1[N+](=O)[O-] ZINC000577801208 341937493 /nfs/dbraw/zinc/93/74/93/341937493.db2.gz YTGNRAYGXZAALE-KBPBESRZSA-N 1 0 322.365 0.164 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000381446280 518140953 /nfs/dbraw/zinc/14/09/53/518140953.db2.gz GBMRFPLKSGNOAD-YUMQZZPRSA-N 1 0 303.340 0.617 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415786791 534367231 /nfs/dbraw/zinc/36/72/31/534367231.db2.gz PUJSDULMCNOQNE-GWCFXTLKSA-N 1 0 318.333 0.744 20 5 DCBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000266302959 520724133 /nfs/dbraw/zinc/72/41/33/520724133.db2.gz KSRYBAWFBQIDHT-LBPRGKRZSA-N 1 0 309.370 0.982 20 5 DCBDRO C[NH+](C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000153931996 521785344 /nfs/dbraw/zinc/78/53/44/521785344.db2.gz VLCUGXAENBTVEQ-UHFFFAOYSA-N 1 0 304.310 0.467 20 5 DCBDRO CN(CC1([NH+](C)C)CCC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000190004636 524034443 /nfs/dbraw/zinc/03/44/43/524034443.db2.gz BHQDOTRRJZPOLQ-UHFFFAOYSA-N 1 0 324.385 0.917 20 5 DCBDRO C[NH+](C)C1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000267291866 524040086 /nfs/dbraw/zinc/04/00/86/524040086.db2.gz VPNQVVPIOBPNHC-UHFFFAOYSA-N 1 0 310.354 0.944 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000157369596 524909250 /nfs/dbraw/zinc/90/92/50/524909250.db2.gz GUUNUMUEPULUAH-SNVBAGLBSA-N 1 0 315.351 0.170 20 5 DCBDRO C[C@@H]1CSCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000190422428 525166628 /nfs/dbraw/zinc/16/66/28/525166628.db2.gz LBCVBQURENLKFH-JQWIXIFHSA-N 1 0 300.384 0.837 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237625370 525231621 /nfs/dbraw/zinc/23/16/21/525231621.db2.gz LPVBLKAVGYNBMD-QWRGUYRKSA-N 1 0 320.349 0.533 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000157821888 525345057 /nfs/dbraw/zinc/34/50/57/525345057.db2.gz MBQKRSKRTQFWMW-PWSUYJOCSA-N 1 0 320.349 0.663 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000189390707 525795503 /nfs/dbraw/zinc/79/55/03/525795503.db2.gz ULXGHGVJBLWERQ-CYBMUJFWSA-N 1 0 309.366 0.972 20 5 DCBDRO CC(C)(C)[C@H](CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181481052 526693037 /nfs/dbraw/zinc/69/30/37/526693037.db2.gz CCLBVMADAZISAR-NEPJUHHUSA-N 1 0 300.359 0.539 20 5 DCBDRO CC(C)(C)[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331329775 526737929 /nfs/dbraw/zinc/73/79/29/526737929.db2.gz QPQSHVFNZDHVML-CHWSQXEVSA-N 1 0 312.370 0.899 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000127386119 526930997 /nfs/dbraw/zinc/93/09/97/526930997.db2.gz CKKGASHSXASWKL-MRVPVSSYSA-N 1 0 302.290 0.528 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000160132507 527234034 /nfs/dbraw/zinc/23/40/34/527234034.db2.gz TYYTYEPUZNTQFJ-LLVKDONJSA-N 1 0 316.321 0.739 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364168289 527378007 /nfs/dbraw/zinc/37/80/07/527378007.db2.gz IPVFFRCXKRRMHG-UHFFFAOYSA-N 1 0 307.354 0.784 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154364608 527404504 /nfs/dbraw/zinc/40/45/04/527404504.db2.gz MDMWEMTWECPMOX-CYBMUJFWSA-N 1 0 311.363 0.969 20 5 DCBDRO CC1(C)CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415821329 529068683 /nfs/dbraw/zinc/06/86/83/529068683.db2.gz GOSQLWGALUPIDI-UHFFFAOYSA-N 1 0 306.322 0.744 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330751236 529151894 /nfs/dbraw/zinc/15/18/94/529151894.db2.gz ZCUDUTYRRAEABD-SNVBAGLBSA-N 1 0 324.385 0.382 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933211073 658561213 /nfs/dbraw/zinc/56/12/13/658561213.db2.gz YTJJMRXCROQEEN-OCCSQVGLSA-N 1 0 310.354 0.653 20 5 DCBDRO CN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000888998972 658619616 /nfs/dbraw/zinc/61/96/16/658619616.db2.gz SYAWPWKPEBPNFQ-UHFFFAOYSA-N 1 0 321.381 0.496 20 5 DCBDRO Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001022061475 658807297 /nfs/dbraw/zinc/80/72/97/658807297.db2.gz JTXAYXWSDFXOPF-RBLKWDMZSA-N 1 0 310.379 0.854 20 5 DCBDRO CCc1noc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064154 658821501 /nfs/dbraw/zinc/82/15/01/658821501.db2.gz YPHRKNVSTHRVOT-FBKDDSFISA-N 1 0 322.365 0.947 20 5 DCBDRO Cc1nc(C)c(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001025776082 659556830 /nfs/dbraw/zinc/55/68/30/659556830.db2.gz WVGYSJVFVJGBRP-DIACKHNESA-N 1 0 320.349 0.503 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775229 659557417 /nfs/dbraw/zinc/55/74/17/659557417.db2.gz GBVKJIGGGKZSSX-RGDJUOJXSA-N 1 0 302.334 0.293 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)[NH2+]C ZINC000261759883 661629438 /nfs/dbraw/zinc/62/94/38/661629438.db2.gz OFNBMMSRGPLTFB-SCZZXKLOSA-N 1 0 312.374 0.551 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261798931 661703438 /nfs/dbraw/zinc/70/34/38/661703438.db2.gz YNEGYAFKWHZDHL-SCZZXKLOSA-N 1 0 315.351 0.714 20 5 DCBDRO Cn1ccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983647785 661996483 /nfs/dbraw/zinc/99/64/83/661996483.db2.gz COCDTEVOZLCZGN-DDHJBXDOSA-N 1 0 307.354 0.070 20 5 DCBDRO O=C(CC[NH2+]CC[N+](=O)[O-])N1CCN(c2ccccc2)CC1 ZINC000905081913 663528103 /nfs/dbraw/zinc/52/81/03/663528103.db2.gz QEKLESCKTPOXCA-UHFFFAOYSA-N 1 0 306.366 0.592 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)CNC[C@H](O)C[NH+]2CCCC2)cc1 ZINC000906614188 663624105 /nfs/dbraw/zinc/62/41/05/663624105.db2.gz JNHLHZXUWNQHSH-LSDHHAIUSA-N 1 0 309.366 0.675 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000908207305 663743870 /nfs/dbraw/zinc/74/38/70/663743870.db2.gz XDPKZQUKSQNMSI-SNVBAGLBSA-N 1 0 311.313 0.920 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(CO)COCCN1C ZINC000922535673 666477606 /nfs/dbraw/zinc/47/76/06/666477606.db2.gz VGDVTVCWBZSOJQ-INIZCTEOSA-N 1 0 323.393 0.994 20 5 DCBDRO CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996430018 666790928 /nfs/dbraw/zinc/79/09/28/666790928.db2.gz YHQZIEWUIFDLBX-ZIAGYGMSSA-N 1 0 321.381 0.649 20 5 DCBDRO C[C@@H]1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1(=O)=O ZINC000863581328 667159642 /nfs/dbraw/zinc/15/96/42/667159642.db2.gz QIWFZWRUYGYAAA-WQAKAFBOSA-N 1 0 314.363 0.793 20 5 DCBDRO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000923323439 667507660 /nfs/dbraw/zinc/50/76/60/667507660.db2.gz YVQXRKCCBPXEGB-CQDKDKBSSA-N 1 0 306.366 0.567 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923368007 667517982 /nfs/dbraw/zinc/51/79/82/667517982.db2.gz ZKPGNWJKGJNFOE-KBPBESRZSA-N 1 0 309.370 0.228 20 5 DCBDRO COCCn1nnc2c1CCN(Cc1cccnc1[N+](=O)[O-])C2 ZINC000886218011 667743083 /nfs/dbraw/zinc/74/30/83/667743083.db2.gz MJISLEPJBIFSKN-UHFFFAOYSA-N 1 0 318.337 0.786 20 5 DCBDRO Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1[N+](=O)[O-] ZINC000870961704 667778199 /nfs/dbraw/zinc/77/81/99/667778199.db2.gz DOTGEYDKQWAHBH-WFASDCNBSA-N 1 0 305.334 0.755 20 5 DCBDRO CCn1c(C)nc([N+](=O)[O-])c1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000872758182 667935927 /nfs/dbraw/zinc/93/59/27/667935927.db2.gz SSOZOCQYHLSZGI-NWDGAFQWSA-N 1 0 309.370 0.765 20 5 DCBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@@H](C[NH3+])C1 ZINC000124301462 667951193 /nfs/dbraw/zinc/95/11/93/667951193.db2.gz AXLZZTQLDCTKIU-JTQLQIEISA-N 1 0 312.757 0.963 20 5 DCBDRO C[NH+](C)C[C@H]1NC(=O)N(CCc2ccccc2[N+](=O)[O-])C1=O ZINC000924702876 668230868 /nfs/dbraw/zinc/23/08/68/668230868.db2.gz VNWQCAPWCDRPQT-LLVKDONJSA-N 1 0 306.322 0.619 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000930368538 669002311 /nfs/dbraw/zinc/00/23/11/669002311.db2.gz USGCOVGXEAHYRC-NSHDSACASA-N 1 0 307.354 0.700 20 5 DCBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CCNC1=O ZINC000782522321 669103063 /nfs/dbraw/zinc/10/30/63/669103063.db2.gz DCQRBKGGUFTSKR-LBPRGKRZSA-N 1 0 324.312 0.883 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C[C@H]21 ZINC000931281547 669174233 /nfs/dbraw/zinc/17/42/33/669174233.db2.gz SJWAYHUVZRMTMF-IMRBUKKESA-N 1 0 304.350 0.686 20 5 DCBDRO Cn1nccc1[C@H]1CN(CCn2cc([N+](=O)[O-])cn2)CCO1 ZINC000933535485 669501277 /nfs/dbraw/zinc/50/12/77/669501277.db2.gz QVTWBAYBBXBOHN-CYBMUJFWSA-N 1 0 306.326 0.598 20 5 DCBDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158650917 669928016 /nfs/dbraw/zinc/92/80/16/669928016.db2.gz URWRVOWVHUUOJQ-CABZTGNLSA-N 1 0 302.352 0.651 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(Cn3cc([N+](=O)[O-])c(C)n3)[C@H]2C1 ZINC000840084242 670349160 /nfs/dbraw/zinc/34/91/60/670349160.db2.gz SCHKTQODBHYIJA-UONOGXRCSA-N 1 0 309.370 0.852 20 5 DCBDRO CN(C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC000857768799 670946192 /nfs/dbraw/zinc/94/61/92/670946192.db2.gz ZPVBSZCZFZVDKW-UHFFFAOYSA-N 1 0 301.249 0.997 20 5 DCBDRO [NH3+]CCn1cc(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)nn1 ZINC000851627179 671001010 /nfs/dbraw/zinc/00/10/10/671001010.db2.gz SVGSKBDGKJKDSB-UHFFFAOYSA-N 1 0 324.728 0.728 20 5 DCBDRO O=C1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819131865 671097590 /nfs/dbraw/zinc/09/75/90/671097590.db2.gz QLNJDGXZOBHOGS-FZMZJTMJSA-N 1 0 305.334 0.981 20 5 DCBDRO CN(C)S(=O)(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819324982 671112150 /nfs/dbraw/zinc/11/21/50/671112150.db2.gz UXGBERFWAKSTDK-GFCCVEGCSA-N 1 0 317.367 0.109 20 5 DCBDRO CN1C(=O)CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819384394 671115768 /nfs/dbraw/zinc/11/57/68/671115768.db2.gz YFSQVHWVTJQUMS-NEPJUHHUSA-N 1 0 307.306 0.365 20 5 DCBDRO COC(=O)[C@]1(OC)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000859558941 671126186 /nfs/dbraw/zinc/12/61/86/671126186.db2.gz OBUZUJCZFJMLCQ-ZFWWWQNUSA-N 1 0 324.333 0.892 20 5 DCBDRO CC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])nc1Br ZINC000853065518 671205711 /nfs/dbraw/zinc/20/57/11/671205711.db2.gz UTQCUTZLUCPFOW-ZETCQYMHSA-N 1 0 307.148 0.866 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827329846 671523145 /nfs/dbraw/zinc/52/31/45/671523145.db2.gz INCLYFXBOLLPLX-VXGBXAGGSA-N 1 0 307.354 0.652 20 5 DCBDRO CC[C@H](CO)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000827411162 671526669 /nfs/dbraw/zinc/52/66/69/671526669.db2.gz KGECEZWQJGNHBB-GFCCVEGCSA-N 1 0 301.387 0.737 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000834322069 671754585 /nfs/dbraw/zinc/75/45/85/671754585.db2.gz OREOXXFNXOQOKI-PELKAZGASA-N 1 0 324.293 0.691 20 5 DCBDRO CC(C)[N@@H+]1CCCC[C@H]1COC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000837451853 671862726 /nfs/dbraw/zinc/86/27/26/671862726.db2.gz NPVNETSDRGZXPX-NSHDSACASA-N 1 0 311.342 0.992 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841256401 671923245 /nfs/dbraw/zinc/92/32/45/671923245.db2.gz IKDJMXGONVJOOP-MRVPVSSYSA-N 1 0 312.301 0.834 20 5 DCBDRO CC(C)[N@@H+]1CCC[C@@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000842832947 672041691 /nfs/dbraw/zinc/04/16/91/672041691.db2.gz IRLYBWQIAFVECS-LLVKDONJSA-N 1 0 311.342 0.850 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)CNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000843061237 672057826 /nfs/dbraw/zinc/05/78/26/672057826.db2.gz CUYZPWGXJOQZBR-CABCVRRESA-N 1 0 309.366 0.675 20 5 DCBDRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843072089 672058794 /nfs/dbraw/zinc/05/87/94/672058794.db2.gz AAVUTOPCXCKYNI-ZFWWWQNUSA-N 1 0 320.349 0.784 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@H](O)c2ccccc2)c1 ZINC000843087684 672060693 /nfs/dbraw/zinc/06/06/93/672060693.db2.gz KTYUPXJYABGCDA-CABCVRRESA-N 1 0 320.349 0.866 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@@H](O)c2ccccc2)c1 ZINC000843087692 672060712 /nfs/dbraw/zinc/06/07/12/672060712.db2.gz KTYUPXJYABGCDA-LSDHHAIUSA-N 1 0 320.349 0.866 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCn2cc(CO)nn2)c1 ZINC000843098162 672061208 /nfs/dbraw/zinc/06/12/08/672061208.db2.gz VFNGIAXUJLJIOG-CQSZACIVSA-N 1 0 321.337 0.392 20 5 DCBDRO CN(C)c1cc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001691315246 1157639178 /nfs/dbraw/zinc/63/91/78/1157639178.db2.gz ZZKQYUUIFLXLJV-CHWSQXEVSA-N 1 0 321.381 0.361 20 5 DCBDRO CCN(CC[NH2+]Cc1cncc(OC)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568741982 1160756868 /nfs/dbraw/zinc/75/68/68/1160756868.db2.gz KEPPWMDENTWZJA-VXGBXAGGSA-N 1 0 323.353 0.089 20 5 DCBDRO C[C@@]([NH3+])(C(=O)NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC001576082002 1164232802 /nfs/dbraw/zinc/23/28/02/1164232802.db2.gz RNSATDWTWKFIAD-JSGCOSHPSA-N 1 0 309.322 0.300 20 5 DCBDRO CCN(CC[NH3+])C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001577715507 1164774208 /nfs/dbraw/zinc/77/42/08/1164774208.db2.gz MTUMZZRRUJYSEA-ZDUSSCGKSA-N 1 0 306.322 0.895 20 5 DCBDRO COC[C@@]1(C(=O)NCc2ccc([N+](=O)[O-])cc2)C[NH2+]CCO1 ZINC001578976592 1165175549 /nfs/dbraw/zinc/17/55/49/1165175549.db2.gz CIPULLIDMRKCSN-CQSZACIVSA-N 1 0 309.322 0.216 20 5 DCBDRO COc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1OC ZINC001579142484 1165222790 /nfs/dbraw/zinc/22/27/90/1165222790.db2.gz YUTARWZMZLBJIW-PSASIEDQSA-N 1 0 309.322 0.950 20 5 DCBDRO [NH3+]CCCOCCNC(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001580301087 1165563640 /nfs/dbraw/zinc/56/36/40/1165563640.db2.gz RETQSXQRSDTGFX-UHFFFAOYSA-N 1 0 311.294 0.419 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CC[NH2+]C[C@H]1F ZINC001580582830 1165644465 /nfs/dbraw/zinc/64/44/65/1165644465.db2.gz YNLSNMVBUVILSI-VXGBXAGGSA-N 1 0 321.312 0.761 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1c[nH]c2ccc([N+](=O)[O-])cc21 ZINC001580667616 1165681093 /nfs/dbraw/zinc/68/10/93/1165681093.db2.gz YLSOKEFZZCNVOQ-SNVBAGLBSA-N 1 0 304.306 0.794 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1ccccn1)C1CC[NH2+]CC1 ZINC001580807094 1165722090 /nfs/dbraw/zinc/72/20/90/1165722090.db2.gz NGRNQESJJCMCNR-ZIAGYGMSSA-N 1 0 304.350 0.827 20 5 DCBDRO O=[N+]([O-])c1cc(S(=O)(=O)NCC23CC(C2)C[NH2+]3)cs1 ZINC001580874668 1165747048 /nfs/dbraw/zinc/74/70/48/1165747048.db2.gz HDMXXKFSHBILOM-UHFFFAOYSA-N 1 0 303.365 0.687 20 5 DCBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@H]1C[N@H+](C)CCN1C ZINC001586538795 1166495519 /nfs/dbraw/zinc/49/55/19/1166495519.db2.gz QHPSFCQKUSJSPJ-IINYFYTJSA-N 1 0 321.381 0.541 20 5 DCBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001591015236 1167082110 /nfs/dbraw/zinc/08/21/10/1167082110.db2.gz JUWSLAOAMSWVIN-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO [NH3+]C1(CO)CCN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])CC1 ZINC001592740852 1167625909 /nfs/dbraw/zinc/62/59/09/1167625909.db2.gz NMFHSZKTFAEQOM-UHFFFAOYSA-N 1 0 319.325 0.065 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001626175163 1169593964 /nfs/dbraw/zinc/59/39/64/1169593964.db2.gz RPDOYKXKXLDEGB-NEPJUHHUSA-N 1 0 320.349 0.770 20 5 DCBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@H](O)C2)c(-c2nn[nH]n2)c1 ZINC001607082015 1170385397 /nfs/dbraw/zinc/38/53/97/1170385397.db2.gz JPVDCWMJYNUCOI-JTQLQIEISA-N 1 0 319.325 0.253 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001609266632 1170903383 /nfs/dbraw/zinc/90/33/83/1170903383.db2.gz WLWYEAJSURNQQC-CYBMUJFWSA-N 1 0 321.341 0.499 20 5 DCBDRO C[NH+](C)CCOCCNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001609268369 1170905542 /nfs/dbraw/zinc/90/55/42/1170905542.db2.gz CYYLRHHLPUYIDP-UHFFFAOYSA-N 1 0 321.341 0.765 20 5 DCBDRO C[NH+]1CCN(c2cc(N)c([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC001609285828 1170913383 /nfs/dbraw/zinc/91/33/83/1170913383.db2.gz ZHRDIYCBBRMGTB-UHFFFAOYSA-N 1 0 304.314 0.109 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001609602520 1171039333 /nfs/dbraw/zinc/03/93/33/1171039333.db2.gz RQNVUHQTYDFIDF-AOOOYVTPSA-N 1 0 315.337 0.426 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@@H]21 ZINC001612770335 1171364770 /nfs/dbraw/zinc/36/47/70/1171364770.db2.gz ZFEPJTWAOQFZEY-SKDRFNHKSA-N 1 0 305.338 0.619 20 5 DCBDRO COC(=O)[C@@]1(O)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001620532372 1171404620 /nfs/dbraw/zinc/40/46/20/1171404620.db2.gz ITZBJORXBZRJTO-CQSZACIVSA-N 1 0 310.306 0.583 20 5 DCBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCN3CC[C@@H](O)C3)nc2c1 ZINC001621473354 1171410856 /nfs/dbraw/zinc/41/08/56/1171410856.db2.gz MLITVBJIYRXECG-LLVKDONJSA-N 1 0 306.322 0.892 20 5 DCBDRO Nc1ncc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001624812051 1171461144 /nfs/dbraw/zinc/46/11/44/1171461144.db2.gz MURLJOMKQPLPLP-GHMZBOCLSA-N 1 0 305.338 0.929 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCCN(C)CCC[NH+](C)C)n1 ZINC001629046507 1171540855 /nfs/dbraw/zinc/54/08/55/1171540855.db2.gz CYVDGBVOHGXLQE-UHFFFAOYSA-N 1 0 323.397 0.912 20 5 DCBDRO CCO[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001637702734 1171774572 /nfs/dbraw/zinc/77/45/72/1171774572.db2.gz JNCBHQLRQXKPBW-JTQLQIEISA-N 1 0 312.326 0.392 20 5 DCBDRO CCO[C@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001637703141 1171775055 /nfs/dbraw/zinc/77/50/55/1171775055.db2.gz RTSZBNZOZPJHFU-SNVBAGLBSA-N 1 0 311.342 0.269 20 5 DCBDRO C[C@]1(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001640233844 1171873296 /nfs/dbraw/zinc/87/32/96/1171873296.db2.gz OUEZAFAGFORZRW-AWEZNQCLSA-N 1 0 306.322 0.910 20 5 DCBDRO C[N@H+](CCNc1cc[nH]c(=O)c1[N+](=O)[O-])CCOCCO ZINC001640320176 1171875824 /nfs/dbraw/zinc/87/58/24/1171875824.db2.gz KQDBTTPSZBICKY-UHFFFAOYSA-N 1 0 300.315 0.048 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001643345106 1171970949 /nfs/dbraw/zinc/97/09/49/1171970949.db2.gz GJKRJDJZMPQCHN-JTQLQIEISA-N 1 0 322.365 0.752 20 5 DCBDRO CO[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC001644129874 1171996882 /nfs/dbraw/zinc/99/68/82/1171996882.db2.gz WSNUBDZVTWQVRK-IUODEOHRSA-N 1 0 323.349 0.665 20 5 DCBDRO C[NH+](C)CC[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001651418314 1173748258 /nfs/dbraw/zinc/74/82/58/1173748258.db2.gz CBPKEIHMNZNIRQ-JTQLQIEISA-N 1 0 307.354 0.867 20 5 DCBDRO COC(=O)c1cnc(N2CC([NH2+][C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001651457683 1173749388 /nfs/dbraw/zinc/74/93/88/1173749388.db2.gz QQIYVLVRUCDWQB-JTQLQIEISA-N 1 0 322.321 0.344 20 5 DCBDRO COC(=O)CNC(=O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC001652971184 1173779296 /nfs/dbraw/zinc/77/92/96/1173779296.db2.gz CJAKRQONVHPHNC-IZZDOVSWSA-N 1 0 321.333 0.877 20 5 DCBDRO CO[C@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC001653654232 1173792361 /nfs/dbraw/zinc/79/23/61/1173792361.db2.gz VVOFGYJLIHEXRA-STQMWFEESA-N 1 0 312.370 0.899 20 5 DCBDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001654291528 1173803750 /nfs/dbraw/zinc/80/37/50/1173803750.db2.gz VUNNSVHJYLXTKQ-IAQYHMDHSA-N 1 0 323.349 0.741 20 5 DCBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1CCC([NH3+])(CO)CC1 ZINC001655223333 1173817264 /nfs/dbraw/zinc/81/72/64/1173817264.db2.gz AUWXWPVGIYIART-UHFFFAOYSA-N 1 0 323.275 0.637 20 5 DCBDRO NC(=O)CC(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001656191849 1173850407 /nfs/dbraw/zinc/85/04/07/1173850407.db2.gz KCTXTPIRAQSKCB-HAQNSBGRSA-N 1 0 320.349 0.455 20 5 DCBDRO Cn1cncc1C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001689987098 1177135467 /nfs/dbraw/zinc/13/54/67/1177135467.db2.gz GRPLOXOMYOXJRB-ZIAGYGMSSA-N 1 0 321.381 0.556 20 5 DCBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccc[nH]1 ZINC001699171761 1177908165 /nfs/dbraw/zinc/90/81/65/1177908165.db2.gz ZNWBMOSCOCYWJR-UHFFFAOYSA-N 1 0 320.353 0.908 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000158625618 1180564977 /nfs/dbraw/zinc/56/49/77/1180564977.db2.gz IXSCHEZCSFZTIG-GXFFZTMASA-N 1 0 314.363 0.653 20 5 DCBDRO NC(=O)CC(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001716278340 1182299668 /nfs/dbraw/zinc/29/96/68/1182299668.db2.gz VQMKGFSGKKPOMZ-OWOJBTEDSA-N 1 0 306.322 0.232 20 5 DCBDRO O=C(NC1(C[NH2+]C/C=C/Cl)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001724914452 1184618126 /nfs/dbraw/zinc/61/81/26/1184618126.db2.gz BUAUJKFQNNVKSO-HOXXMDGGSA-N 1 0 317.773 0.659 20 5 DCBDRO O=C(NCCN1CC[NH+](CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731366216 1185298827 /nfs/dbraw/zinc/29/88/27/1185298827.db2.gz UFZOYTZRHGJYEJ-ZIAGYGMSSA-N 1 0 310.398 0.186 20 5 DCBDRO CC[N@H+](CCNC(=O)c1nnc[nH]1)Cc1cccc([N+](=O)[O-])c1 ZINC001753091712 1188496295 /nfs/dbraw/zinc/49/62/95/1188496295.db2.gz GTPDCENBGRQGKZ-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO Cc1cc(C)n(CC[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001754119144 1188748737 /nfs/dbraw/zinc/74/87/37/1188748737.db2.gz IANGKWBIWDOFEB-JHZNUDOXSA-N 1 0 321.381 0.427 20 5 DCBDRO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1C ZINC001754370975 1188834773 /nfs/dbraw/zinc/83/47/73/1188834773.db2.gz SYIJTZHYHBUAAM-CHWSQXEVSA-N 1 0 309.370 0.332 20 5 DCBDRO Cc1nc(Cl)nc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164666391 719371325 /nfs/dbraw/zinc/37/13/25/719371325.db2.gz FXAFLQZKOLBKCO-IUCAKERBSA-N 1 0 313.745 0.866 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001164669332 719383080 /nfs/dbraw/zinc/38/30/80/719383080.db2.gz UTVULMKKVPUGNZ-MNOVXSKESA-N 1 0 309.282 0.417 20 5 DCBDRO COc1cc(C)nc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164666512 719389803 /nfs/dbraw/zinc/38/98/03/719389803.db2.gz KSJYYYDXNSITLM-ZYHUDNBSSA-N 1 0 308.338 0.826 20 5 DCBDRO CN1CCc2c(-n3nnc(CC[NH3+])n3)ccc([N+](=O)[O-])c2C1 ZINC001167792034 748314549 /nfs/dbraw/zinc/31/45/49/748314549.db2.gz RDWXZWWSMPHHGL-UHFFFAOYSA-N 1 0 303.326 0.060 20 5 DCBDRO COc1nc(N(C)CC[NH+]2CCCC2)nc(OC)c1[N+](=O)[O-] ZINC001165140218 757228150 /nfs/dbraw/zinc/22/81/50/757228150.db2.gz KBGJVRQLRYKMGP-UHFFFAOYSA-N 1 0 311.342 0.934 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001165437951 757321861 /nfs/dbraw/zinc/32/18/61/757321861.db2.gz WETGRPOOSJYCQF-MRVPVSSYSA-N 1 0 300.702 0.594 20 5 DCBDRO CS(=O)(=O)N(c1cc([N+](=O)[O-])cc(Cl)n1)C1C[NH2+]C1 ZINC001166967448 757985407 /nfs/dbraw/zinc/98/54/07/757985407.db2.gz LQPSWSZAKYCHGC-UHFFFAOYSA-N 1 0 306.731 0.381 20 5 DCBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC(=O)NC2=O)c([N+](=O)[O-])c1 ZINC001170313279 762607676 /nfs/dbraw/zinc/60/76/76/762607676.db2.gz KKWRCIMIFWFJRW-MWLCHTKSSA-N 1 0 321.333 0.787 20 5 DCBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)c([N+](=O)[O-])c1 ZINC001170307449 762613571 /nfs/dbraw/zinc/61/35/71/762613571.db2.gz GACHLEKMULHNER-BXKDBHETSA-N 1 0 321.333 0.929 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000828754026 759098222 /nfs/dbraw/zinc/09/82/22/759098222.db2.gz QCMNHRUABFEJMY-UHFFFAOYSA-N 1 0 310.354 0.462 20 5 DCBDRO CCn1ccnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086083299 759693334 /nfs/dbraw/zinc/69/33/34/759693334.db2.gz UFMJMEZNFMBYPV-YVECIDJPSA-N 1 0 321.381 0.553 20 5 DCBDRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N1CCOCC1 ZINC001168986157 760529665 /nfs/dbraw/zinc/52/96/65/760529665.db2.gz WQPLWXFDSJMBMO-RDBSUJKOSA-N 1 0 313.398 0.905 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCOCCOCCOCCO)C1 ZINC001168969883 760534076 /nfs/dbraw/zinc/53/40/76/760534076.db2.gz GEZKZKCPHFUTDY-ZIAGYGMSSA-N 1 0 320.386 0.064 20 5 DCBDRO O=C1COCCN1C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169047935 760562258 /nfs/dbraw/zinc/56/22/58/760562258.db2.gz STEHEFLJMATMHP-OCCSQVGLSA-N 1 0 311.382 0.755 20 5 DCBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+]1C1CCCC1 ZINC001123943574 768084062 /nfs/dbraw/zinc/08/40/62/768084062.db2.gz OSKNATYGVSFMOY-NSHDSACASA-N 1 0 322.369 0.662 20 5 DCBDRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001129995381 763074795 /nfs/dbraw/zinc/07/47/95/763074795.db2.gz MVQACPPFMXOSSV-UHFFFAOYSA-N 1 0 319.321 0.852 20 5 DCBDRO CC(C)(C[NH2+]CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001101541501 764143601 /nfs/dbraw/zinc/14/36/01/764143601.db2.gz IVDAEKYYTXYAQY-CHWSQXEVSA-N 1 0 313.398 0.498 20 5 DCBDRO NC(=O)C1(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC001133185058 764862160 /nfs/dbraw/zinc/86/21/60/764862160.db2.gz RDFOJZQQZLULGQ-UHFFFAOYSA-N 1 0 312.351 0.128 20 5 DCBDRO Cn1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)[nH]c1=O ZINC001133332385 764928542 /nfs/dbraw/zinc/92/85/42/764928542.db2.gz LHHHYZZBMDBFQO-UHFFFAOYSA-N 1 0 319.321 0.554 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001133800031 765149508 /nfs/dbraw/zinc/14/95/08/765149508.db2.gz GQAPUKSZPKIZBZ-UHFFFAOYSA-N 1 0 318.337 0.877 20 5 DCBDRO CC1CC[NH+](CCc2nnc(Cn3cnc([N+](=O)[O-])n3)o2)CC1 ZINC001117248604 766006827 /nfs/dbraw/zinc/00/68/27/766006827.db2.gz BEWGQZFKVFWQGP-UHFFFAOYSA-N 1 0 321.341 0.892 20 5 DCBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@H]2C[NH2+]C[C@H]2CO)nc1Cl ZINC001159672294 766198908 /nfs/dbraw/zinc/19/89/08/766198908.db2.gz ODMMKYWUJOGSCY-BQBZGAKWSA-N 1 0 322.699 0.862 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001136668798 766420281 /nfs/dbraw/zinc/42/02/81/766420281.db2.gz CAJYIVKOQXGBAD-WFASDCNBSA-N 1 0 323.349 0.545 20 5 DCBDRO CN1CC[NH+](C2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])CC2)CC1 ZINC001118930564 766475360 /nfs/dbraw/zinc/47/53/60/766475360.db2.gz MHNRMXGZEOOKLB-UHFFFAOYSA-N 1 0 321.381 0.912 20 5 DCBDRO CC(=O)CC(C)(C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160294328 766527989 /nfs/dbraw/zinc/52/79/89/766527989.db2.gz FLHMSZIYUPXLKH-UHFFFAOYSA-N 1 0 322.369 0.964 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NCC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC001119350558 766640802 /nfs/dbraw/zinc/64/08/02/766640802.db2.gz CSWUUGMGKXGNRJ-VHSXEESVSA-N 1 0 308.338 0.626 20 5 DCBDRO COCCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087857 767396381 /nfs/dbraw/zinc/39/63/81/767396381.db2.gz XPLBVUBMDJTPCK-UBDGZGRMSA-N 1 0 311.382 0.705 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC001122330691 767772646 /nfs/dbraw/zinc/77/26/46/767772646.db2.gz GWZOCQWYEBODIV-ZDUSSCGKSA-N 1 0 307.350 0.893 20 5 DCBDRO [NH3+]CCS(=O)(=O)N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897931 769513163 /nfs/dbraw/zinc/51/31/63/769513163.db2.gz DWDJVWGVZYKTJI-GFCCVEGCSA-N 1 0 313.379 0.720 20 5 DCBDRO NC(=O)CNC(=O)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172905340 769514571 /nfs/dbraw/zinc/51/45/71/769514571.db2.gz JAQOFBKNZAPQAG-LBPRGKRZSA-N 1 0 320.349 0.033 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC[C@H](N2CC(C[NH3+])C2)C1 ZINC001155375133 770481424 /nfs/dbraw/zinc/48/14/24/770481424.db2.gz AQSNFADKWDMNRC-NSHDSACASA-N 1 0 306.370 0.431 20 5 DCBDRO O=[N+]([O-])c1cnc(N[C@H]2COCCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155460995 770509919 /nfs/dbraw/zinc/50/99/19/770509919.db2.gz GIPAOQYLSDNIEE-JTQLQIEISA-N 1 0 309.282 0.688 20 5 DCBDRO Cc1cc(Cl)nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570245 770547657 /nfs/dbraw/zinc/54/76/57/770547657.db2.gz LJZUHYDQPVQMDB-KRTXAFLBSA-N 1 0 311.729 0.942 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1[N+](=O)[O-] ZINC001155642154 770575693 /nfs/dbraw/zinc/57/56/93/770575693.db2.gz FUWSAGXIOBZKJU-SCVCMEIPSA-N 1 0 322.321 0.708 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001156826200 770936713 /nfs/dbraw/zinc/93/67/13/770936713.db2.gz VXRMITVARALALE-UHFFFAOYSA-N 1 0 311.305 0.970 20 5 DCBDRO COC(=O)c1cnc(-n2c(C)ncc(C[NH3+])c2=N)c([N+](=O)[O-])c1 ZINC001156829490 770938040 /nfs/dbraw/zinc/93/80/40/770938040.db2.gz NESXPFRZNTZMLH-UHFFFAOYSA-N 1 0 318.293 0.209 20 5 DCBDRO COc1cc2ncnc(N3C[C@@H]4C[NH2+][C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001157623804 771643554 /nfs/dbraw/zinc/64/35/54/771643554.db2.gz MHFSICLRRABFOU-GZMMTYOYSA-N 1 0 301.306 0.955 20 5 DCBDRO CC(C)c1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1C ZINC001157761724 771665270 /nfs/dbraw/zinc/66/52/70/771665270.db2.gz ZGXURXNIEBDJTH-GHMZBOCLSA-N 1 0 324.385 0.200 20 5 DCBDRO CCc1nc(C)c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001157767491 771665942 /nfs/dbraw/zinc/66/59/42/771665942.db2.gz ONSRNMHVXMSYFK-GHMZBOCLSA-N 1 0 310.354 0.807 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CC([N@@H+](C)[C@H]2CCOC2)C1 ZINC001158736429 771816705 /nfs/dbraw/zinc/81/67/05/771816705.db2.gz MAPFMTOSWXZODM-NSHDSACASA-N 1 0 308.338 0.446 20 5 DCBDRO [NH3+][C@@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC12COC2 ZINC001158764170 771818825 /nfs/dbraw/zinc/81/88/25/771818825.db2.gz LGHMMBDKWWBINS-GFCCVEGCSA-N 1 0 301.306 0.702 20 5 DCBDRO COc1cc(NCCOCCOCC[NH3+])ncc1[N+](=O)[O-] ZINC001159445322 771911383 /nfs/dbraw/zinc/91/13/83/771911383.db2.gz VTNIGMGXQCYBDH-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ccc([N+](=O)[O-])c(OCC)n1 ZINC001159864885 771970266 /nfs/dbraw/zinc/97/02/66/771970266.db2.gz PLEFGIUYGBZPEG-UHFFFAOYSA-N 1 0 312.326 0.717 20 5 DCBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1F)CCOCCO ZINC001187422995 772183968 /nfs/dbraw/zinc/18/39/68/772183968.db2.gz ODHBHQDEYWILDF-UHFFFAOYSA-N 1 0 302.306 0.482 20 5 DCBDRO [NH3+]C1CCN(CCNc2nc(Cl)ncc2[N+](=O)[O-])CC1 ZINC001161866970 772291904 /nfs/dbraw/zinc/29/19/04/772291904.db2.gz HTCUMTBVAGEWSY-UHFFFAOYSA-N 1 0 300.750 0.873 20 5 DCBDRO COCCC1([NH3+])CCN(c2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001162041906 772318617 /nfs/dbraw/zinc/31/86/17/772318617.db2.gz SBQWGTRCSVKEEX-UHFFFAOYSA-N 1 0 310.354 0.871 20 5 DCBDRO COc1nc(C)nc(N[C@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163068626 772453421 /nfs/dbraw/zinc/45/34/21/772453421.db2.gz JFEVYHMGKOAICO-VIFPVBQESA-N 1 0 309.326 0.492 20 5 DCBDRO C[C@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCCO1 ZINC001163960185 772599414 /nfs/dbraw/zinc/59/94/14/772599414.db2.gz APTBPPUIRRVKDE-NSHDSACASA-N 1 0 322.369 0.410 20 5 DCBDRO N[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1(F)F ZINC001164329812 772647344 /nfs/dbraw/zinc/64/73/44/772647344.db2.gz ZVCTVNFAIOIKQA-SECBINFHSA-N 1 0 314.296 0.244 20 5 DCBDRO Cc1ccnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC001165252588 772711326 /nfs/dbraw/zinc/71/13/26/772711326.db2.gz LWTNTGWNUQGKSP-UHFFFAOYSA-N 1 0 305.338 0.357 20 5 DCBDRO Cc1c(C)c(N2CC(=O)NC3(CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC001165256107 772712345 /nfs/dbraw/zinc/71/23/45/772712345.db2.gz KPAVJVOIBLOPKK-UHFFFAOYSA-N 1 0 319.365 0.665 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1 ZINC001165270410 772713821 /nfs/dbraw/zinc/71/38/21/772713821.db2.gz FBKYHIQSOZUJOY-UWVGGRQHSA-N 1 0 314.729 0.449 20 5 DCBDRO COC(=O)C1(Nc2ncc([N+](=O)[O-])cc2OC)CC[NH2+]CC1 ZINC001166911281 772876712 /nfs/dbraw/zinc/87/67/12/772876712.db2.gz SREINYGMDIFFOU-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001166961971 772890615 /nfs/dbraw/zinc/89/06/15/772890615.db2.gz QIDAIWJNNBOYMC-RQJHMYQMSA-N 1 0 315.717 0.426 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001166967856 772892530 /nfs/dbraw/zinc/89/25/30/772892530.db2.gz HRNZNISMZGZHRW-KOLCDFICSA-N 1 0 324.337 0.856 20 5 DCBDRO CC[N@H+](C)[C@H]1CCN(S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC001196220227 773559828 /nfs/dbraw/zinc/55/98/28/773559828.db2.gz VNWNUQYQUYFYJS-VIFPVBQESA-N 1 0 317.371 0.043 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)C(=O)NCC2 ZINC001227956243 776029264 /nfs/dbraw/zinc/02/92/64/776029264.db2.gz MSIUIKOZEICNMN-GFCCVEGCSA-O 1 0 307.370 0.335 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2c1CCC(=O)N2 ZINC001229638108 776207487 /nfs/dbraw/zinc/20/74/87/776207487.db2.gz SWLLOLHHCMQYAJ-LLVKDONJSA-O 1 0 307.370 0.934 20 5 DCBDRO CO[C@@H]1CC[N@H+](CCOc2nc3c[nH]cc([N+](=O)[O-])c-3n2)C1 ZINC001230231746 776268205 /nfs/dbraw/zinc/26/82/05/776268205.db2.gz RAFGXPUCKCIOIN-SECBINFHSA-N 1 0 307.310 0.966 20 5 DCBDRO Cc1nc[nH]c1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001317671592 945157986 /nfs/dbraw/zinc/15/79/86/945157986.db2.gz KQNWGQFDFIDGEZ-UHFFFAOYSA-N 1 0 321.341 0.222 20 5 DCBDRO Cc1cc(C)n(CC[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001266696750 939213223 /nfs/dbraw/zinc/21/32/23/939213223.db2.gz QPCVVJAMEAJTHL-CHWSQXEVSA-N 1 0 309.370 0.213 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH3+])S(C)(=O)=O ZINC001254532075 943094919 /nfs/dbraw/zinc/09/49/19/943094919.db2.gz JQZWMDNVMWQIIK-SNVBAGLBSA-N 1 0 301.368 0.746 20 5 DCBDRO [NH3+]C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001118914691 944131021 /nfs/dbraw/zinc/13/10/21/944131021.db2.gz MOHOSFQYDUJHJN-UHFFFAOYSA-N 1 0 322.321 0.157 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2CO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001247898497 945583515 /nfs/dbraw/zinc/58/35/15/945583515.db2.gz UZYBFWXUBDRVPY-KHQFGBGNSA-N 1 0 321.268 0.881 20 5 DCBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319592727 945626397 /nfs/dbraw/zinc/62/63/97/945626397.db2.gz ZTKPHEFZCKZLLM-NSHDSACASA-N 1 0 308.338 0.215 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001319591300 945626664 /nfs/dbraw/zinc/62/66/64/945626664.db2.gz HOTFMMZKZXXTSC-WDEREUQCSA-N 1 0 320.349 0.498 20 5 DCBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001321427687 946328515 /nfs/dbraw/zinc/32/85/15/946328515.db2.gz VEJVCFMCZFRNKB-NSHDSACASA-N 1 0 323.353 0.691 20 5 DCBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCC(N)=O ZINC001254547061 946409320 /nfs/dbraw/zinc/40/93/20/946409320.db2.gz UOVURRQKRDPLJG-UWVGGRQHSA-N 1 0 308.338 0.105 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581653 946413264 /nfs/dbraw/zinc/41/32/64/946413264.db2.gz PRIDRKGZOQZODE-AWEZNQCLSA-N 1 0 307.350 0.886 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001327632540 948579413 /nfs/dbraw/zinc/57/94/13/948579413.db2.gz MJORCKWOOBAPPE-UHFFFAOYSA-N 1 0 306.322 0.451 20 5 DCBDRO CC1(C)CC[NH2+]CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001329648965 949749101 /nfs/dbraw/zinc/74/91/01/949749101.db2.gz XNOWXGJKJSUKFI-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO C[NH+]1CCC(OCC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC001265981902 950225444 /nfs/dbraw/zinc/22/54/44/950225444.db2.gz GRHQSBLGQKJYBR-UHFFFAOYSA-N 1 0 311.342 0.018 20 5 DCBDRO O=C(CCC1C[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001331053550 950858543 /nfs/dbraw/zinc/85/85/43/950858543.db2.gz PSSQQFZQFJXVPA-UHFFFAOYSA-N 1 0 307.354 0.954 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001331865640 951367062 /nfs/dbraw/zinc/36/70/62/951367062.db2.gz TWSRTEXTUIXUCI-NSHDSACASA-N 1 0 308.338 0.433 20 5 DCBDRO CN(CC[N@H+](C)CCO)c1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001333777166 952152433 /nfs/dbraw/zinc/15/24/33/952152433.db2.gz PLUZQLCLQNRNDG-UHFFFAOYSA-N 1 0 322.365 0.840 20 5 DCBDRO Cc1nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC001333872446 952182932 /nfs/dbraw/zinc/18/29/32/952182932.db2.gz KTALDXQEEZRTEI-NEPJUHHUSA-N 1 0 307.354 0.729 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001334938026 952415729 /nfs/dbraw/zinc/41/57/29/952415729.db2.gz XYEPREWLDZZVIJ-CMPLNLGQSA-N 1 0 320.349 0.355 20 5 DCBDRO Cc1nn(C)c(N2CC(C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC001334938657 952416002 /nfs/dbraw/zinc/41/60/02/952416002.db2.gz ZKYYKCPVCDQKKV-UHFFFAOYSA-N 1 0 308.386 0.320 20 5 DCBDRO O=[N+]([O-])CC[NH2+]Cc1ccc(CN2CCS(=O)CC2)cc1 ZINC001335468917 952540826 /nfs/dbraw/zinc/54/08/26/952540826.db2.gz XLFIOZYNTZCQNC-UHFFFAOYSA-N 1 0 311.407 0.617 20 5 DCBDRO C[C@H](c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C)[N+](=O)[O-] ZINC001339542311 953101239 /nfs/dbraw/zinc/10/12/39/953101239.db2.gz RMQNFFJLAOFTAF-LLVKDONJSA-N 1 0 324.385 0.454 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340615478 953183097 /nfs/dbraw/zinc/18/30/97/953183097.db2.gz OKFGFXXEVCFVDE-RYBZSIHZSA-N 1 0 303.318 0.855 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001340800289 953195116 /nfs/dbraw/zinc/19/51/16/953195116.db2.gz OHKRIPGGQITTCO-LLVKDONJSA-N 1 0 322.365 0.792 20 5 DCBDRO COc1ccc(CNC(=O)[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC001343179399 953326837 /nfs/dbraw/zinc/32/68/37/953326837.db2.gz IWNCIDMNGFENRQ-LBPRGKRZSA-N 1 0 308.338 0.123 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)OC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001344369746 953476011 /nfs/dbraw/zinc/47/60/11/953476011.db2.gz YZRFAMPLYHCTDS-LBPRGKRZSA-N 1 0 324.337 0.588 20 5 DCBDRO CCCNC(=O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001346618522 953931659 /nfs/dbraw/zinc/93/16/59/953931659.db2.gz CESNOKSSLLCZSO-LBPRGKRZSA-N 1 0 311.338 0.450 20 5 DCBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001348306005 954259698 /nfs/dbraw/zinc/25/96/98/954259698.db2.gz BSARYEXOSXNCOS-GXFFZTMASA-N 1 0 320.349 0.120 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001349418006 954745097 /nfs/dbraw/zinc/74/50/97/954745097.db2.gz MYDHCAVNGYITDY-HNNXBMFYSA-N 1 0 320.349 0.359 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001350189425 955014174 /nfs/dbraw/zinc/01/41/74/955014174.db2.gz ZBNNUPMYOXEMNV-OAHLLOKOSA-N 1 0 323.349 0.742 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001303898376 960069849 /nfs/dbraw/zinc/06/98/49/960069849.db2.gz HJWAFOKYZSQZBA-LBPRGKRZSA-N 1 0 306.322 0.145 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC001548497979 1016186331 /nfs/dbraw/zinc/18/63/31/1016186331.db2.gz MIOHJDDEWOTACL-CQSZACIVSA-N 1 0 311.313 0.873 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](Nc3ncccn3)C2)n1 ZINC001473863685 1016982253 /nfs/dbraw/zinc/98/22/53/1016982253.db2.gz BIZJAJWOTUBKLF-NSHDSACASA-N 1 0 303.326 0.768 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001456299568 1010177659 /nfs/dbraw/zinc/17/76/59/1010177659.db2.gz VLSUJMNJSLZJNU-LBPRGKRZSA-N 1 0 305.334 0.727 20 5 DCBDRO CC(C)(O)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001460753636 1012963109 /nfs/dbraw/zinc/96/31/09/1012963109.db2.gz YMCDLOQMSSNWJM-YPMHNXCESA-N 1 0 312.370 0.635 20 5 DCBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295599955 529961088 /nfs/dbraw/zinc/96/10/88/529961088.db2.gz CEUZYLBBYBVXLR-JTQLQIEISA-N 1 0 311.338 0.530 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286921594 219226896 /nfs/dbraw/zinc/22/68/96/219226896.db2.gz IKWUVVJENDLULQ-NSHDSACASA-N 1 0 322.365 0.781 20 5 DCBDRO CNS(=O)(=O)c1ccc(N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071397735 190967003 /nfs/dbraw/zinc/96/70/03/190967003.db2.gz JTKSPPCEDWWVBR-VIFPVBQESA-N 1 0 314.367 0.667 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000287187130 219367377 /nfs/dbraw/zinc/36/73/77/219367377.db2.gz LYWGLFPVBTUANX-QWRGUYRKSA-N 1 0 322.365 0.779 20 5 DCBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1COC[C@H]1O ZINC000296048858 186687856 /nfs/dbraw/zinc/68/78/56/186687856.db2.gz UYWXFQUAWSSBCF-ZWKOPEQDSA-N 1 0 309.322 0.661 20 5 DCBDRO CN(C)C(=O)CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000182159784 199395413 /nfs/dbraw/zinc/39/54/13/199395413.db2.gz FLIMJHPSIWNPDM-UHFFFAOYSA-N 1 0 309.370 0.982 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000178624391 198899018 /nfs/dbraw/zinc/89/90/18/198899018.db2.gz WKYOQEVFUVEOAA-NXEZZACHSA-N 1 0 308.338 0.567 20 5 DCBDRO Cc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1C ZINC000313823353 291252549 /nfs/dbraw/zinc/25/25/49/291252549.db2.gz LIEXONKGITUUDM-AWEZNQCLSA-N 1 0 305.338 0.954 20 5 DCBDRO [NH3+]CC1(CC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000566004024 291263491 /nfs/dbraw/zinc/26/34/91/291263491.db2.gz CXLIPXRRUDCFPB-UHFFFAOYSA-N 1 0 319.365 0.767 20 5 DCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000566668294 291317333 /nfs/dbraw/zinc/31/73/33/291317333.db2.gz OYULTKYWIOPXDI-ZDUSSCGKSA-N 1 0 320.349 0.421 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000420419710 240025028 /nfs/dbraw/zinc/02/50/28/240025028.db2.gz IKECBLXAEBACMH-PJXYFTJBSA-N 1 0 311.363 0.275 20 5 DCBDRO Cc1c(CC(=O)NCCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000422696434 240178945 /nfs/dbraw/zinc/17/89/45/240178945.db2.gz RRDBEHQFEKXRRN-UHFFFAOYSA-N 1 0 320.393 0.857 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250126 291345400 /nfs/dbraw/zinc/34/54/00/291345400.db2.gz BLPWHJJWKLFCHB-GXTWGEPZSA-N 1 0 320.349 0.217 20 5 DCBDRO C[C@]1(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC[NH2+]C1 ZINC000567491949 291357913 /nfs/dbraw/zinc/35/79/13/291357913.db2.gz GPDCTBIJHOFDIF-AWEZNQCLSA-N 1 0 307.354 0.954 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000567839352 291383586 /nfs/dbraw/zinc/38/35/86/291383586.db2.gz OINALQAPJKTRKK-SNVBAGLBSA-N 1 0 316.317 0.943 20 5 DCBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)C(C)C ZINC000567872804 291386319 /nfs/dbraw/zinc/38/63/19/291386319.db2.gz HOIXSIIRZBNSQI-AVGNSLFASA-N 1 0 300.359 0.537 20 5 DCBDRO Cc1cccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000569021054 291459101 /nfs/dbraw/zinc/45/91/01/291459101.db2.gz NCUUPHDNZTWPTB-PWSUYJOCSA-N 1 0 318.333 0.287 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000264803877 204169265 /nfs/dbraw/zinc/16/92/65/204169265.db2.gz ZCUBRUPYPQIGMW-ZDUSSCGKSA-N 1 0 322.365 0.336 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C)C[NH+](C)C ZINC000288279868 220059949 /nfs/dbraw/zinc/05/99/49/220059949.db2.gz VFPXNIUAWFXHIS-JTQLQIEISA-N 1 0 308.338 0.908 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CCC[C@@H](CO)C2)c1 ZINC000573847983 291658652 /nfs/dbraw/zinc/65/86/52/291658652.db2.gz VCWMNXYAELFXLT-SCRDCRAPSA-N 1 0 312.370 0.541 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[NH+](CC)CC)c([N+](=O)[O-])n1 ZINC000339046508 253025875 /nfs/dbraw/zinc/02/58/75/253025875.db2.gz WQAREHXFKSSXSI-UHFFFAOYSA-N 1 0 319.387 0.431 20 5 DCBDRO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000347025247 254122703 /nfs/dbraw/zinc/12/27/03/254122703.db2.gz OUTHVXQOLJSVOK-GFCCVEGCSA-N 1 0 313.379 0.761 20 5 DCBDRO C[NH+](C)CCOCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000347179393 254135876 /nfs/dbraw/zinc/13/58/76/254135876.db2.gz OTKUMRYBZZXNOA-UHFFFAOYSA-N 1 0 317.367 0.451 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000348522767 254240847 /nfs/dbraw/zinc/24/08/47/254240847.db2.gz ZMUWJSJUBXIJDZ-GMTAPVOTSA-N 1 0 320.296 0.902 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000349950969 254305917 /nfs/dbraw/zinc/30/59/17/254305917.db2.gz LAUDJEGHIORATN-SNVBAGLBSA-N 1 0 308.338 0.568 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000289693693 221160260 /nfs/dbraw/zinc/16/02/60/221160260.db2.gz KBIUNJSTOJNPEE-CHWSQXEVSA-N 1 0 321.381 0.866 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000272975463 130079016 /nfs/dbraw/zinc/07/90/16/130079016.db2.gz CWLAKHOBUYLCSP-KGLIPLIRSA-N 1 0 324.312 0.615 20 5 DCBDRO C[C@@H](O)C[N@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361027 131377626 /nfs/dbraw/zinc/37/76/26/131377626.db2.gz AHCWOJIOIVIEDD-VXGBXAGGSA-N 1 0 314.338 0.010 20 5 DCBDRO CC(C)[N@H+](C)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000101955229 395767941 /nfs/dbraw/zinc/76/79/41/395767941.db2.gz KEMRWVRHPIKFQQ-UHFFFAOYSA-N 1 0 322.365 0.781 20 5 DCBDRO CS[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1[NH+](C)C ZINC000270743209 395803507 /nfs/dbraw/zinc/80/35/07/395803507.db2.gz AMSLDXANUPJEQV-QWRGUYRKSA-N 1 0 313.383 0.295 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000119060481 395867206 /nfs/dbraw/zinc/86/72/06/395867206.db2.gz INRVZSRHKOTCMM-GFCCVEGCSA-N 1 0 305.342 0.795 20 5 DCBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](O)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000245653747 395933189 /nfs/dbraw/zinc/93/31/89/395933189.db2.gz CXIZTZPXYIWEPS-NWDGAFQWSA-N 1 0 323.349 0.659 20 5 DCBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246871161 395959359 /nfs/dbraw/zinc/95/93/59/395959359.db2.gz UQDSPPHFWITJOM-AAEUAGOBSA-N 1 0 307.354 0.734 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000248335020 395984116 /nfs/dbraw/zinc/98/41/16/395984116.db2.gz GJXIXYZNWXHJFI-JSGCOSHPSA-N 1 0 309.370 0.322 20 5 DCBDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151709308 395990779 /nfs/dbraw/zinc/99/07/79/395990779.db2.gz TWDVXMPDSZHCSK-LBPRGKRZSA-N 1 0 324.385 0.917 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000276612077 396015295 /nfs/dbraw/zinc/01/52/95/396015295.db2.gz ZKFXNPOGEHLZKQ-NSHDSACASA-N 1 0 307.354 0.153 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278062629 396104098 /nfs/dbraw/zinc/10/40/98/396104098.db2.gz WKSIZLHUUHBSHP-LBPRGKRZSA-N 1 0 307.354 0.924 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000171129466 396108268 /nfs/dbraw/zinc/10/82/68/396108268.db2.gz UORUYZUEXPIWNH-UHFFFAOYSA-N 1 0 311.338 0.668 20 5 DCBDRO [NH3+][C@@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000261907209 396078161 /nfs/dbraw/zinc/07/81/61/396078161.db2.gz GBEUIHQYDMBXTR-NSHDSACASA-N 1 0 321.333 0.762 20 5 DCBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000178770465 396208036 /nfs/dbraw/zinc/20/80/36/396208036.db2.gz KVNMXEVEGCHENK-JTQLQIEISA-N 1 0 316.321 0.657 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000262595010 396159756 /nfs/dbraw/zinc/15/97/56/396159756.db2.gz UKVYWGAQICTHHV-MNOVXSKESA-N 1 0 308.338 0.342 20 5 DCBDRO Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000074739527 396171280 /nfs/dbraw/zinc/17/12/80/396171280.db2.gz HQHWWGJCDISFAP-UHFFFAOYSA-N 1 0 307.354 0.508 20 5 DCBDRO COc1cc(S(=O)(=O)NC(C)(C)C[NH3+])ccc1[N+](=O)[O-] ZINC000262750122 396178575 /nfs/dbraw/zinc/17/85/75/396178575.db2.gz NANQVCFORUYDSR-UHFFFAOYSA-N 1 0 303.340 0.619 20 5 DCBDRO Cc1nn(CCC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000262879753 396189467 /nfs/dbraw/zinc/18/94/67/396189467.db2.gz VVLLFJKBACGQAT-JOYOIKCWSA-N 1 0 309.370 0.912 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000185091115 396316603 /nfs/dbraw/zinc/31/66/03/396316603.db2.gz CIIGJVOKEJWKTC-VXGBXAGGSA-N 1 0 310.310 0.459 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)C2CCCCC2)c1 ZINC000581548354 396563613 /nfs/dbraw/zinc/56/36/13/396563613.db2.gz FDPSGZSFUFXODH-ZIAGYGMSSA-N 1 0 312.370 0.683 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000595275017 396576791 /nfs/dbraw/zinc/57/67/91/396576791.db2.gz DMBPRWAPVDBUNU-JTQLQIEISA-N 1 0 310.358 0.746 20 5 DCBDRO CNc1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000531336462 396594202 /nfs/dbraw/zinc/59/42/02/396594202.db2.gz DDMRPMVDSNOAEL-UHFFFAOYSA-N 1 0 322.365 0.823 20 5 DCBDRO Cn1cnc(CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000562990199 396691337 /nfs/dbraw/zinc/69/13/37/396691337.db2.gz FYFSSLBYDFFSMF-LLVKDONJSA-N 1 0 321.337 0.295 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)C[NH2+]C ZINC000595983007 396702640 /nfs/dbraw/zinc/70/26/40/396702640.db2.gz MKFNFUXJDLYTJW-WCBMZHEXSA-N 1 0 312.374 0.551 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000595983522 396702740 /nfs/dbraw/zinc/70/27/40/396702740.db2.gz PWCMOQPUFAFEBW-JTQLQIEISA-N 1 0 308.338 0.439 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595983004 396702933 /nfs/dbraw/zinc/70/29/33/396702933.db2.gz MKFFRJGQLRXRMG-SNVBAGLBSA-N 1 0 323.353 0.118 20 5 DCBDRO C[C@]1(NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000596049938 396711750 /nfs/dbraw/zinc/71/17/50/396711750.db2.gz KNIBWJKHYAAJSQ-ZDUSSCGKSA-N 1 0 313.379 0.809 20 5 DCBDRO CO[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000596065824 396713478 /nfs/dbraw/zinc/71/34/78/396713478.db2.gz UZGPOVDNNRTDOO-UONOGXRCSA-N 1 0 312.370 0.947 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596129606 396722306 /nfs/dbraw/zinc/72/23/06/396722306.db2.gz ULZZIGXILTWWLU-AWEZNQCLSA-N 1 0 306.322 0.710 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000316040586 396792884 /nfs/dbraw/zinc/79/28/84/396792884.db2.gz IGCFNWSWAYUSFQ-UHFFFAOYSA-N 1 0 310.329 0.711 20 5 DCBDRO Cc1cc(C(=O)N(C)CCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000316042251 396793104 /nfs/dbraw/zinc/79/31/04/396793104.db2.gz IISOEGTVOSDZRB-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO C[C@H](C[S@](C)=O)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563530183 396748062 /nfs/dbraw/zinc/74/80/62/396748062.db2.gz CUOTYRUWSNHSLF-NNOLRYQLSA-N 1 0 316.379 0.691 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000563611053 396760515 /nfs/dbraw/zinc/76/05/15/396760515.db2.gz MVSAJSJMAVSLEQ-UHFFFAOYSA-N 1 0 322.365 0.369 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000590360134 396762092 /nfs/dbraw/zinc/76/20/92/396762092.db2.gz ZEMSOIYBMSOTOS-SNVBAGLBSA-N 1 0 324.337 0.272 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000611233777 396840546 /nfs/dbraw/zinc/84/05/46/396840546.db2.gz WOLSJGOLJUZCEL-UHFFFAOYSA-N 1 0 307.354 0.933 20 5 DCBDRO C[NH2+]C[C@@](C)(O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000564093948 396809017 /nfs/dbraw/zinc/80/90/17/396809017.db2.gz QQWRJFVSMCVJQE-OAHLLOKOSA-N 1 0 308.382 0.687 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC[C@@H](O)C1 ZINC000600531860 396885071 /nfs/dbraw/zinc/88/50/71/396885071.db2.gz MTVUFLRYXNIQBR-GFCCVEGCSA-N 1 0 323.349 0.547 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000591348317 396904431 /nfs/dbraw/zinc/90/44/31/396904431.db2.gz QKSDMFALDIFKSH-GXFFZTMASA-N 1 0 308.338 0.852 20 5 DCBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000564943755 396906300 /nfs/dbraw/zinc/90/63/00/396906300.db2.gz NSVPEWXJOTWLKQ-UHFFFAOYSA-N 1 0 317.309 0.375 20 5 DCBDRO CCn1nncc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000600746415 396935104 /nfs/dbraw/zinc/93/51/04/396935104.db2.gz STIMHVWBHVFRAP-CYBMUJFWSA-N 1 0 321.337 0.736 20 5 DCBDRO O=C1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)N1 ZINC000591763758 396998618 /nfs/dbraw/zinc/99/86/18/396998618.db2.gz HMCSXRUTYHHXHQ-YPMHNXCESA-N 1 0 323.349 0.593 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000571946627 397004084 /nfs/dbraw/zinc/00/40/84/397004084.db2.gz GFGULPUIIKKKSW-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO C[NH+](C)CC1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000597709536 397071246 /nfs/dbraw/zinc/07/12/46/397071246.db2.gz XEFMNSOPQHALIW-UHFFFAOYSA-N 1 0 321.333 1.000 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000597655548 397045987 /nfs/dbraw/zinc/04/59/87/397045987.db2.gz YKNGVKZTGWYLQW-KWCYVHTRSA-N 1 0 307.350 0.737 20 5 DCBDRO COc1cc(C(=O)N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])cc1F ZINC000597654231 397046091 /nfs/dbraw/zinc/04/60/91/397046091.db2.gz PZIAYPUBQOHXKF-MRVPVSSYSA-N 1 0 315.301 0.395 20 5 DCBDRO COc1ccc(NC(=O)CCN2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC000601326654 397057958 /nfs/dbraw/zinc/05/79/58/397057958.db2.gz FWPYTVIGRUSGHN-QWRGUYRKSA-N 1 0 320.349 0.978 20 5 DCBDRO COc1ccc(NC(=O)[C@@H](C)N2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC000601326424 397058181 /nfs/dbraw/zinc/05/81/81/397058181.db2.gz DXPFTBKRRNIAJQ-VWYCJHECSA-N 1 0 320.349 0.977 20 5 DCBDRO C[C@@H]1C[C@H]([NH3+])CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601330531 397060610 /nfs/dbraw/zinc/06/06/10/397060610.db2.gz UQCMBKJGGQLCAA-PWSUYJOCSA-N 1 0 304.350 0.905 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000592309459 397149209 /nfs/dbraw/zinc/14/92/09/397149209.db2.gz QXMFUTOEIJAERH-ZANVPECISA-N 1 0 309.322 0.792 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592307371 397149650 /nfs/dbraw/zinc/14/96/50/397149650.db2.gz GOGJKUWZQUAVCU-MFKMUULPSA-N 1 0 309.322 0.548 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000377908795 397162247 /nfs/dbraw/zinc/16/22/47/397162247.db2.gz IJADYFDJJFDWLT-CQSZACIVSA-N 1 0 320.353 0.755 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000592382340 397164071 /nfs/dbraw/zinc/16/40/71/397164071.db2.gz MPZUKOZHEUGMDM-ZKCHVHJHSA-N 1 0 301.324 0.371 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000592390245 397167767 /nfs/dbraw/zinc/16/77/67/397167767.db2.gz KUUYNAQPTCECCC-VROVMSAKSA-N 1 0 313.335 0.100 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000592489748 397189542 /nfs/dbraw/zinc/18/95/42/397189542.db2.gz UTGKTQHEJWNKHR-AWEZNQCLSA-N 1 0 323.349 0.811 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592570525 397219466 /nfs/dbraw/zinc/21/94/66/397219466.db2.gz MJBNHWNBDUJBAZ-LBPRGKRZSA-N 1 0 307.354 0.972 20 5 DCBDRO CC[NH+](CC)CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598584970 397250907 /nfs/dbraw/zinc/25/09/07/397250907.db2.gz LGPUKGRUNBPYQB-UHFFFAOYSA-N 1 0 324.385 0.975 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598667538 397271219 /nfs/dbraw/zinc/27/12/19/397271219.db2.gz FEYSGOTZURZOBO-UHFFFAOYSA-N 1 0 323.353 0.784 20 5 DCBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 ZINC000598668574 397272173 /nfs/dbraw/zinc/27/21/73/397272173.db2.gz ADGFSBQUAOCNJA-IINYFYTJSA-N 1 0 306.322 0.096 20 5 DCBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000386776055 397289419 /nfs/dbraw/zinc/28/94/19/397289419.db2.gz IOBMLXVZIRBNJM-ZDUSSCGKSA-N 1 0 306.322 0.951 20 5 DCBDRO CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000598914067 397306874 /nfs/dbraw/zinc/30/68/74/397306874.db2.gz WWLYYLXNVSRWEJ-GFCCVEGCSA-N 1 0 306.322 0.729 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598916299 397307658 /nfs/dbraw/zinc/30/76/58/397307658.db2.gz XCFXVKUNRFKKRL-ONGXEEELSA-N 1 0 306.322 0.790 20 5 DCBDRO CC(C)(C(=O)NC[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000602552534 397437560 /nfs/dbraw/zinc/43/75/60/397437560.db2.gz ULDMXVMYSDTKIX-GFCCVEGCSA-N 1 0 307.350 0.977 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000602436966 397400413 /nfs/dbraw/zinc/40/04/13/397400413.db2.gz BNPFCGJGJORMJN-UHFFFAOYSA-N 1 0 307.354 0.028 20 5 DCBDRO CN(C)C(=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578758866 397479979 /nfs/dbraw/zinc/47/99/79/397479979.db2.gz CTBZEHQBFCCDRF-LBPRGKRZSA-N 1 0 311.338 0.402 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000602837485 397498128 /nfs/dbraw/zinc/49/81/28/397498128.db2.gz NXJFQLDXJKDDJK-GFCCVEGCSA-N 1 0 324.385 0.835 20 5 DCBDRO O=[N+]([O-])c1cccc(F)c1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000603200613 397582953 /nfs/dbraw/zinc/58/29/53/397582953.db2.gz CKVJPGGTUCPEBS-UHFFFAOYSA-N 1 0 320.328 0.779 20 5 DCBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)O1 ZINC000579594287 397583575 /nfs/dbraw/zinc/58/35/75/397583575.db2.gz IIFMYFYIHGGOTH-YPMHNXCESA-N 1 0 306.322 0.381 20 5 DCBDRO C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000599909755 397538471 /nfs/dbraw/zinc/53/84/71/397538471.db2.gz ZEJOVLRYBMJOOX-ZYHUDNBSSA-N 1 0 308.338 0.943 20 5 DCBDRO CC1(C)CC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC(C)(C)[NH2+]1 ZINC000604294955 397635510 /nfs/dbraw/zinc/63/55/10/397635510.db2.gz RUROFIBTGODVEF-UHFFFAOYSA-N 1 0 310.358 0.612 20 5 DCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])cn1C)C[NH+]1CCN(C)CC1 ZINC000604266148 397635546 /nfs/dbraw/zinc/63/55/46/397635546.db2.gz JTJVCRBVKXLOGM-GFCCVEGCSA-N 1 0 323.397 0.547 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000604552339 397643109 /nfs/dbraw/zinc/64/31/09/397643109.db2.gz JEBUPOBMZZIJDX-JTQLQIEISA-N 1 0 309.370 0.946 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000156113372 286348320 /nfs/dbraw/zinc/34/83/20/286348320.db2.gz BVUZSTWUFVNCNA-SECBINFHSA-N 1 0 315.351 0.715 20 5 DCBDRO COc1ccc(NC(=O)[C@H](C)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261898521 158750794 /nfs/dbraw/zinc/75/07/94/158750794.db2.gz WHAHVYCJOLTHTA-JTQLQIEISA-N 1 0 308.338 0.836 20 5 DCBDRO CO[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261953577 158758558 /nfs/dbraw/zinc/75/85/58/158758558.db2.gz WUUZQNBRBHDTFN-NEPJUHHUSA-N 1 0 322.365 0.971 20 5 DCBDRO [NH3+][C@H](CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000261996518 158763214 /nfs/dbraw/zinc/76/32/14/158763214.db2.gz ZHUOIRWHXPIUOP-CYBMUJFWSA-N 1 0 320.349 0.568 20 5 DCBDRO COC[C@@H]([NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000262369616 158805189 /nfs/dbraw/zinc/80/51/89/158805189.db2.gz WNCUZCXKLGNEBT-CQSZACIVSA-N 1 0 323.349 0.938 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000320777070 159010700 /nfs/dbraw/zinc/01/07/00/159010700.db2.gz LUKUSPFPLLUDBY-VXGBXAGGSA-N 1 0 320.349 0.770 20 5 DCBDRO CC[N@@H+]1C[C@H](C)N(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330588479 159198044 /nfs/dbraw/zinc/19/80/44/159198044.db2.gz UEDCRTRZWWYGCB-OBJOEFQTSA-N 1 0 311.386 0.567 20 5 DCBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000408350116 160089606 /nfs/dbraw/zinc/08/96/06/160089606.db2.gz XYBLTODZLJDTKB-QWRGUYRKSA-N 1 0 308.342 0.129 20 5 DCBDRO C[NH+](C)CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000193671075 287061398 /nfs/dbraw/zinc/06/13/98/287061398.db2.gz UGJHBRTWXXCRNJ-UHFFFAOYSA-N 1 0 309.370 0.982 20 5 DCBDRO CCOC(=O)C[C@H](C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000248438945 287096843 /nfs/dbraw/zinc/09/68/43/287096843.db2.gz CEHMNFUVSGWBCT-CMPLNLGQSA-N 1 0 314.342 0.426 20 5 DCBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249356527 287109104 /nfs/dbraw/zinc/10/91/04/287109104.db2.gz ABPJABGSZBUFGF-JTNHKYCSSA-N 1 0 323.349 0.449 20 5 DCBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249356523 287109110 /nfs/dbraw/zinc/10/91/10/287109110.db2.gz ABPJABGSZBUFGF-GYSYKLTISA-N 1 0 323.349 0.449 20 5 DCBDRO CC[C@]1(CO)CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249577636 287114677 /nfs/dbraw/zinc/11/46/77/287114677.db2.gz PYIFDUICIIXYCZ-KGLIPLIRSA-N 1 0 312.370 0.637 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000415429994 287236174 /nfs/dbraw/zinc/23/61/74/287236174.db2.gz BUCUQUUZPUSQNR-LLVKDONJSA-N 1 0 308.338 0.941 20 5 DCBDRO O=[N+]([O-])c1ccccc1N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000420320441 287290508 /nfs/dbraw/zinc/29/05/08/287290508.db2.gz QDUCLJUNBZGOPJ-UHFFFAOYSA-N 1 0 319.409 0.622 20 5 DCBDRO COC(=O)CC[C@@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000342749029 415277446 /nfs/dbraw/zinc/27/74/46/415277446.db2.gz KQEFTZZHBYYQAG-GFCCVEGCSA-N 1 0 324.337 0.403 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@H](C[NH2+]C)C2)c([N+](=O)[O-])n1 ZINC000353217794 415478693 /nfs/dbraw/zinc/47/86/93/415478693.db2.gz MNSBRHXDRUDNPH-SECBINFHSA-N 1 0 317.371 0.041 20 5 DCBDRO CC(C)(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000353384121 415528703 /nfs/dbraw/zinc/52/87/03/415528703.db2.gz KBSSGCIFJDXAOD-MNOVXSKESA-N 1 0 307.354 0.594 20 5 DCBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000120310464 415763748 /nfs/dbraw/zinc/76/37/48/415763748.db2.gz HQQNCCLMGLFMMT-JTQLQIEISA-N 1 0 316.321 0.657 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(c3ncc([N+](=O)[O-])c(C)n3)[C@H]2C1 ZINC000294959717 415876761 /nfs/dbraw/zinc/87/67/61/415876761.db2.gz NHQHUOLSAALWII-QWHCGFSZSA-N 1 0 307.354 0.993 20 5 DCBDRO COc1c(C(=O)NCCOCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000356663714 415970373 /nfs/dbraw/zinc/97/03/73/415970373.db2.gz BVXBNWNLYCMUDF-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000356738900 415979737 /nfs/dbraw/zinc/97/97/37/415979737.db2.gz FRFUMAKZVGLXBO-WDEREUQCSA-N 1 0 307.354 0.885 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000173365125 416057093 /nfs/dbraw/zinc/05/70/93/416057093.db2.gz OYLNKPSOHHEUAC-YPMHNXCESA-N 1 0 320.353 0.755 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000298831899 416032379 /nfs/dbraw/zinc/03/23/79/416032379.db2.gz XTSYGNUAKROKME-UHFFFAOYSA-N 1 0 310.329 0.711 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000298912481 416037916 /nfs/dbraw/zinc/03/79/16/416037916.db2.gz DWYBJLJVHWPTEV-UHFFFAOYSA-N 1 0 309.370 0.680 20 5 DCBDRO NC(=O)c1ccc(N2CCC[N@H+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000171506891 416040234 /nfs/dbraw/zinc/04/02/34/416040234.db2.gz LWANKYCLSKXMDI-UHFFFAOYSA-N 1 0 308.338 0.198 20 5 DCBDRO C[NH+](C)C1(CNc2nccc(C(N)=O)c2[N+](=O)[O-])CCOCC1 ZINC000357522951 416092768 /nfs/dbraw/zinc/09/27/68/416092768.db2.gz GIZWAIXIUODCJN-UHFFFAOYSA-N 1 0 323.353 0.611 20 5 DCBDRO C[NH+](C)CCO[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357539436 416093583 /nfs/dbraw/zinc/09/35/83/416093583.db2.gz RXGZWXGTNLDLOQ-JTQLQIEISA-N 1 0 323.353 0.246 20 5 DCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000301813627 416094092 /nfs/dbraw/zinc/09/40/92/416094092.db2.gz HZELPLCLVUUJGI-CYBMUJFWSA-N 1 0 319.365 0.908 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000330690996 416231785 /nfs/dbraw/zinc/23/17/85/416231785.db2.gz GFEPDYMUPGGBLW-JTQLQIEISA-N 1 0 311.342 0.039 20 5 DCBDRO COc1cccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000192820763 416310996 /nfs/dbraw/zinc/31/09/96/416310996.db2.gz BJKNRSMPGXEXRV-CQSZACIVSA-N 1 0 311.338 0.646 20 5 DCBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331426975 416311845 /nfs/dbraw/zinc/31/18/45/416311845.db2.gz SOKVFOZUKRZNBX-WDEREUQCSA-N 1 0 308.342 0.272 20 5 DCBDRO [NH3+]C1(CNCC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000342134649 416286150 /nfs/dbraw/zinc/28/61/50/416286150.db2.gz KZMHMQHVYCYSTI-UHFFFAOYSA-N 1 0 304.350 0.955 20 5 DCBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000415447163 416343353 /nfs/dbraw/zinc/34/33/53/416343353.db2.gz WZVJSENBWQDUGE-SECBINFHSA-N 1 0 306.322 0.662 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000415551514 416347397 /nfs/dbraw/zinc/34/73/97/416347397.db2.gz DQWKUSVLCBHWTI-RKDXNWHRSA-N 1 0 324.312 0.881 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000415669703 416350435 /nfs/dbraw/zinc/35/04/35/416350435.db2.gz GBWCLBPSJBWCSX-PHIMTYICSA-N 1 0 318.333 0.520 20 5 DCBDRO O=C(C[NH2+][C@@H](CO)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000359875759 416364079 /nfs/dbraw/zinc/36/40/79/416364079.db2.gz NWBAECFOOQBGOJ-ZDUSSCGKSA-N 1 0 323.349 0.910 20 5 DCBDRO [NH3+]C1(CNC(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CCC1 ZINC000419036395 416396247 /nfs/dbraw/zinc/39/62/47/416396247.db2.gz GPYBZXUIILMFMS-UHFFFAOYSA-N 1 0 320.349 0.251 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000420263244 416418230 /nfs/dbraw/zinc/41/82/30/416418230.db2.gz BQULQPQGZZPICM-CYBMUJFWSA-N 1 0 301.350 1.459 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000419756569 416409030 /nfs/dbraw/zinc/40/90/30/416409030.db2.gz GTFPQCRSOYNSPI-GFCCVEGCSA-N 1 0 320.349 0.388 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000419757147 416409097 /nfs/dbraw/zinc/40/90/97/416409097.db2.gz IADBGKTYFGBEAY-JTQLQIEISA-N 1 0 320.349 0.340 20 5 DCBDRO COC[C@]1(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000423061243 416462424 /nfs/dbraw/zinc/46/24/24/416462424.db2.gz QHFKNZBOGHYVJH-HNNXBMFYSA-N 1 0 323.349 0.846 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000583563750 416472718 /nfs/dbraw/zinc/47/27/18/416472718.db2.gz YEAFJIKPIXHGPY-UHFFFAOYSA-N 1 0 307.354 0.933 20 5 DCBDRO CNc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000533110516 416475802 /nfs/dbraw/zinc/47/58/02/416475802.db2.gz VINJUXYTANDXOZ-CQSZACIVSA-N 1 0 310.354 0.679 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361112946 416421600 /nfs/dbraw/zinc/42/16/00/416421600.db2.gz WMJWJFKHEPAHKN-VXGBXAGGSA-N 1 0 307.354 0.604 20 5 DCBDRO C[C@@H](CO)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361500586 416441381 /nfs/dbraw/zinc/44/13/81/416441381.db2.gz GTDDBHCUXFTVKX-FZMZJTMJSA-N 1 0 312.370 0.635 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000423694463 416542522 /nfs/dbraw/zinc/54/25/22/416542522.db2.gz AZXTYRMXSMMRFK-LLVKDONJSA-N 1 0 322.365 0.627 20 5 DCBDRO CNc1nccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000594368822 416560430 /nfs/dbraw/zinc/56/04/30/416560430.db2.gz PNTDBQXJCAWRKP-LLVKDONJSA-N 1 0 321.381 1.493 20 5 DCBDRO C[C@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1[NH3+] ZINC000423971406 416598793 /nfs/dbraw/zinc/59/87/93/416598793.db2.gz HAFHRYPNQNRKHI-ONGXEEELSA-N 1 0 321.333 0.714 20 5 DCBDRO CC(C)[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000596251117 416579721 /nfs/dbraw/zinc/57/97/21/416579721.db2.gz NWICLRBEKHSJFL-UHFFFAOYSA-N 1 0 310.358 0.296 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])n1 ZINC000440844405 416651311 /nfs/dbraw/zinc/65/13/11/416651311.db2.gz ISBPIWZHMXAMHC-RKDXNWHRSA-N 1 0 317.371 0.088 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000545170997 416665202 /nfs/dbraw/zinc/66/52/02/416665202.db2.gz GBIAZRBORUFTMK-CQSZACIVSA-N 1 0 323.305 0.120 20 5 DCBDRO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000556979191 416721181 /nfs/dbraw/zinc/72/11/81/416721181.db2.gz YLVQXSNPPWYQHL-RYUDHWBXSA-N 1 0 309.322 0.350 20 5 DCBDRO O=C(CC[N@H+]1CC[C@@H](CO)[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166777 416763363 /nfs/dbraw/zinc/76/33/63/416763363.db2.gz VNSDCNWQQURGIR-SMDDNHRTSA-N 1 0 323.349 0.599 20 5 DCBDRO O=C(CC[N@H+]1CC[C@H](CO)[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000558166774 416764169 /nfs/dbraw/zinc/76/41/69/416764169.db2.gz VNSDCNWQQURGIR-BXUZGUMPSA-N 1 0 323.349 0.599 20 5 DCBDRO CCC[C@@]1(CO)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444771151 416868146 /nfs/dbraw/zinc/86/81/46/416868146.db2.gz IESQXTFIBVANRA-KGLIPLIRSA-N 1 0 312.370 0.779 20 5 DCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000564978826 416901414 /nfs/dbraw/zinc/90/14/14/416901414.db2.gz GPRVUBJLEOPFAF-UWVGGRQHSA-N 1 0 308.338 0.453 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[S@@](=O)C1 ZINC000521863243 417028928 /nfs/dbraw/zinc/02/89/28/417028928.db2.gz VHDLRKIADWFPHQ-OIAVYIFSSA-N 1 0 314.363 0.445 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000447242920 416971515 /nfs/dbraw/zinc/97/15/15/416971515.db2.gz HNOPEFNSKORUHO-BDAKNGLRSA-N 1 0 317.371 0.169 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000429558821 416980302 /nfs/dbraw/zinc/98/03/02/416980302.db2.gz VGHMDRFQLKGYBX-QWRGUYRKSA-N 1 0 324.385 0.681 20 5 DCBDRO [NH3+]CC[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000565595506 416998487 /nfs/dbraw/zinc/99/84/87/416998487.db2.gz ACYZZNKRJCTLOC-SNVBAGLBSA-N 1 0 314.367 0.739 20 5 DCBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1C(=O)CNC1=O ZINC000449058811 417116736 /nfs/dbraw/zinc/11/67/36/417116736.db2.gz MCUTVMODBYLRBD-JTQLQIEISA-N 1 0 306.322 0.667 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000449594575 417154643 /nfs/dbraw/zinc/15/46/43/417154643.db2.gz REQSEZWBYMCRFL-UTLUCORTSA-N 1 0 308.338 0.565 20 5 DCBDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000569096932 417213507 /nfs/dbraw/zinc/21/35/07/417213507.db2.gz VPOPAPPKCLCEKU-ZJUUUORDSA-N 1 0 302.352 0.727 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000415303653 417360479 /nfs/dbraw/zinc/36/04/79/417360479.db2.gz SQIRLJYVCPQCOU-SNVBAGLBSA-N 1 0 306.322 0.662 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000415307958 417362445 /nfs/dbraw/zinc/36/24/45/417362445.db2.gz KIIWJCRJYOGXHO-UHFFFAOYSA-N 1 0 322.321 0.364 20 5 DCBDRO CNc1nccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000569939009 417304758 /nfs/dbraw/zinc/30/47/58/417304758.db2.gz GSZPUJBSOFUILO-NSHDSACASA-N 1 0 321.381 1.445 20 5 DCBDRO C[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC[N@@H+](C2CC2)C1 ZINC000452171012 417458133 /nfs/dbraw/zinc/45/81/33/417458133.db2.gz NMYMIOYCKYRCDX-NSHDSACASA-N 1 0 307.354 0.734 20 5 DCBDRO CCn1nc(C)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC000573358439 417470504 /nfs/dbraw/zinc/47/05/04/417470504.db2.gz OQWMSWNEWNBYRS-CYBMUJFWSA-N 1 0 322.369 0.775 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@@H]2C2CCC2)c1 ZINC000575800212 417550797 /nfs/dbraw/zinc/55/07/97/417550797.db2.gz HBOACBUOZRXJFH-UONOGXRCSA-N 1 0 310.354 0.653 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000576122839 417582698 /nfs/dbraw/zinc/58/26/98/417582698.db2.gz QBAVWHDKHQXVHK-PSASIEDQSA-N 1 0 311.729 0.391 20 5 DCBDRO CC[NH+]1CCC(CNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000578546957 417685135 /nfs/dbraw/zinc/68/51/35/417685135.db2.gz TXTGGTDQHBSNNW-UHFFFAOYSA-N 1 0 307.354 1.034 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299503702 229159524 /nfs/dbraw/zinc/15/95/24/229159524.db2.gz IIOYJWYVQSNYGD-GFCCVEGCSA-N 1 0 307.354 0.878 20 5 DCBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304338322 261173866 /nfs/dbraw/zinc/17/38/66/261173866.db2.gz XPLBSDDBVGCSFJ-RDBSUJKOSA-N 1 0 312.370 0.778 20 5 DCBDRO C[NH2+]CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315223594 261174639 /nfs/dbraw/zinc/17/46/39/261174639.db2.gz KLWBNPOBJMWPBS-UHFFFAOYSA-N 1 0 307.354 0.638 20 5 DCBDRO CS(=O)(=O)c1cc(C(=O)NCCCC[NH3+])cc([N+](=O)[O-])c1 ZINC000357805081 261587562 /nfs/dbraw/zinc/58/75/62/261587562.db2.gz XIAHVEHKGMUKSR-UHFFFAOYSA-N 1 0 315.351 0.467 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000359516762 261751799 /nfs/dbraw/zinc/75/17/99/261751799.db2.gz MXJPIOODMFUBIA-NWDGAFQWSA-N 1 0 312.301 0.873 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000394075943 262161855 /nfs/dbraw/zinc/16/18/55/262161855.db2.gz PNDOTGVFKRCYAA-GFCCVEGCSA-N 1 0 312.757 0.882 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418359409 262275451 /nfs/dbraw/zinc/27/54/51/262275451.db2.gz FFQOSOVCLCMHOG-LBPRGKRZSA-N 1 0 319.365 0.788 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418792247 262290255 /nfs/dbraw/zinc/29/02/55/262290255.db2.gz ZQYDAOKXEJQFFC-ZJUUUORDSA-N 1 0 308.338 0.483 20 5 DCBDRO Cc1c(CNC(=O)c2cn(CCC[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000423795345 262462992 /nfs/dbraw/zinc/46/29/92/262462992.db2.gz FMEYPUNRMZFVCU-UHFFFAOYSA-N 1 0 318.337 0.774 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000419267632 271280643 /nfs/dbraw/zinc/28/06/43/271280643.db2.gz JGOPCNJLDWYTOK-JQWIXIFHSA-N 1 0 320.349 0.559 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419266178 271280919 /nfs/dbraw/zinc/28/09/19/271280919.db2.gz GROJNBLIDXKBBA-MNOVXSKESA-N 1 0 322.365 0.805 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000420440695 271369294 /nfs/dbraw/zinc/36/92/94/271369294.db2.gz NMUHJTQAZBLUQK-SFYZADRCSA-N 1 0 303.340 0.617 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000238046817 274952040 /nfs/dbraw/zinc/95/20/40/274952040.db2.gz TYSHIMBKNYUAJG-SNVBAGLBSA-N 1 0 316.317 1.000 20 5 DCBDRO CC(C)[C@@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156430648 275671821 /nfs/dbraw/zinc/67/18/21/275671821.db2.gz HGOXLFSREISDOE-CYBMUJFWSA-N 1 0 316.379 0.975 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342734187 276594059 /nfs/dbraw/zinc/59/40/59/276594059.db2.gz MOTBVLYYFQJZAT-MNOVXSKESA-N 1 0 324.385 0.553 20 5 DCBDRO CCN1CC[NH+](CCCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548741717 288172617 /nfs/dbraw/zinc/17/26/17/288172617.db2.gz OYELUVNIHKGPDE-UHFFFAOYSA-N 1 0 324.385 0.465 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261919129 280979923 /nfs/dbraw/zinc/97/99/23/280979923.db2.gz IRKPLAFTAAABIS-QWRGUYRKSA-N 1 0 324.385 0.681 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000367834662 281262031 /nfs/dbraw/zinc/26/20/31/281262031.db2.gz WGMIAXQAKBNLJB-UWVGGRQHSA-N 1 0 317.342 0.882 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)c2c[nH]c3cc([N+](=O)[O-])ccc32)C[C@@H]1O ZINC000583828813 337339562 /nfs/dbraw/zinc/33/95/62/337339562.db2.gz XYXXMJPJKHJXEG-KBPBESRZSA-N 1 0 318.333 0.823 20 5 DCBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000576867618 341866986 /nfs/dbraw/zinc/86/69/86/341866986.db2.gz BBNMHDQPZOLLPG-QWHCGFSZSA-N 1 0 308.338 0.500 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]CC1=CCCCC1 ZINC001569932975 1161329751 /nfs/dbraw/zinc/32/97/51/1161329751.db2.gz JPIABUYUTGBHAF-ZIAGYGMSSA-N 1 0 311.382 0.563 20 5 DCBDRO CC[NH2+]CC1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000161123346 519915015 /nfs/dbraw/zinc/91/50/15/519915015.db2.gz DMWBMWJHNDWSKI-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000160512589 522392211 /nfs/dbraw/zinc/39/22/11/522392211.db2.gz KNVQAUVFNZJFNX-ZYHUDNBSSA-N 1 0 320.349 0.533 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000266524036 523024120 /nfs/dbraw/zinc/02/41/20/523024120.db2.gz JVRVUVCOVYRQGU-CABCVRRESA-N 1 0 320.349 0.818 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161410140 524558956 /nfs/dbraw/zinc/55/89/56/524558956.db2.gz MALFJCVRCFPHRP-AAEUAGOBSA-N 1 0 324.385 0.773 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000237621878 525233224 /nfs/dbraw/zinc/23/32/24/525233224.db2.gz SKJZVFGXBVLIDS-CMPLNLGQSA-N 1 0 320.349 0.581 20 5 DCBDRO O=C([C@H]1CCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000238000065 526540127 /nfs/dbraw/zinc/54/01/27/526540127.db2.gz JNBLVKRHGYHPRZ-CQSZACIVSA-N 1 0 304.350 0.995 20 5 DCBDRO O=C(COc1ccccc1[N+](=O)[O-])NCCCN1CC[NH2+]CC1 ZINC000238006596 526996149 /nfs/dbraw/zinc/99/61/49/526996149.db2.gz POGVHICTZUOJJP-UHFFFAOYSA-N 1 0 322.365 0.385 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCCOCC1 ZINC000189459461 527271007 /nfs/dbraw/zinc/27/10/07/527271007.db2.gz ODTIRVONMFUPIL-UHFFFAOYSA-N 1 0 307.350 0.976 20 5 DCBDRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169187063 528497592 /nfs/dbraw/zinc/49/75/92/528497592.db2.gz YMNJARHRCVEBMH-ZWNOBZJWSA-N 1 0 307.354 0.986 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH3+])CCO ZINC000415647970 528613184 /nfs/dbraw/zinc/61/31/84/528613184.db2.gz BBVXQZLSJMMSTJ-UHFFFAOYSA-N 1 0 312.326 0.778 20 5 DCBDRO C[N@@H+]1CCC[C@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821625438 606702830 /nfs/dbraw/zinc/70/28/30/606702830.db2.gz NSJJIIJKSAQRAJ-QMMMGPOBSA-N 1 0 304.314 0.676 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[N@H+](CCO)CC1 ZINC000131570754 665427389 /nfs/dbraw/zinc/42/73/89/665427389.db2.gz YLLIOGVQAXNXST-UHFFFAOYSA-N 1 0 322.365 0.459 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933798453 657811732 /nfs/dbraw/zinc/81/17/32/657811732.db2.gz PHTMRANVBFNWRB-LBPRGKRZSA-N 1 0 309.370 0.900 20 5 DCBDRO CCC[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000949365829 657819390 /nfs/dbraw/zinc/81/93/90/657819390.db2.gz IKFUJLHCKJEVNR-CHWSQXEVSA-N 1 0 311.382 0.755 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1nnc[nH]1 ZINC001020782741 658462325 /nfs/dbraw/zinc/46/23/25/658462325.db2.gz YSAKLHSFYNKKRX-XYPYZODXSA-N 1 0 316.321 0.764 20 5 DCBDRO O=[N+]([O-])c1cnn(CN2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000069796883 665675119 /nfs/dbraw/zinc/67/51/19/665675119.db2.gz JRXFWHKCRYVHMB-CYBMUJFWSA-N 1 0 309.370 0.793 20 5 DCBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCN(C(=O)C(N)=O)CC1 ZINC000940291602 665733891 /nfs/dbraw/zinc/73/38/91/665733891.db2.gz JOEHZTRIHRQUSS-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000924993847 661846507 /nfs/dbraw/zinc/84/65/07/661846507.db2.gz WNGNVZATNAWTNU-WREBYIDWSA-N 1 0 305.334 0.789 20 5 DCBDRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1(F)F ZINC000894343485 661906888 /nfs/dbraw/zinc/90/68/88/661906888.db2.gz CXQBZZVQJXBURM-BDAKNGLRSA-N 1 0 304.253 0.435 20 5 DCBDRO CC(C)(CCC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)[N+](=O)[O-] ZINC000889751733 662031948 /nfs/dbraw/zinc/03/19/48/662031948.db2.gz RYFGEPAKMUAIPO-QWHCGFSZSA-N 1 0 313.398 0.880 20 5 DCBDRO C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896556071 662290158 /nfs/dbraw/zinc/29/01/58/662290158.db2.gz NZGFRICXEJZCJZ-IINYFYTJSA-N 1 0 322.365 0.665 20 5 DCBDRO Cc1cc(CN2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC001000669741 665913368 /nfs/dbraw/zinc/91/33/68/665913368.db2.gz LVBPOSICDWZJPR-ZIAGYGMSSA-N 1 0 320.349 0.897 20 5 DCBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C12CC(C1)C[NH2+]2 ZINC000912364578 664166476 /nfs/dbraw/zinc/16/64/76/664166476.db2.gz IOJZWNZVPXRRFM-UHFFFAOYSA-N 1 0 317.349 0.390 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000912609934 664194853 /nfs/dbraw/zinc/19/48/53/664194853.db2.gz TZOAWDJKOVRPIN-UHFFFAOYSA-N 1 0 311.338 0.356 20 5 DCBDRO O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N1CC[NH2+]CC1 ZINC000170319241 664577077 /nfs/dbraw/zinc/57/70/77/664577077.db2.gz CKAFDVPRUXVGJB-UHFFFAOYSA-N 1 0 312.713 0.619 20 5 DCBDRO Cn1cncc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997769497 665335843 /nfs/dbraw/zinc/33/58/43/665335843.db2.gz PLRMEFZEUSKNIP-ZIAGYGMSSA-N 1 0 321.381 0.414 20 5 DCBDRO NC(=O)C(=O)N1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000998014599 665387457 /nfs/dbraw/zinc/38/74/57/665387457.db2.gz GYXIZOLEZUZXSC-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO CO[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCS(=O)(=O)C1 ZINC000922614212 666495268 /nfs/dbraw/zinc/49/52/68/666495268.db2.gz FUPRDMDXFZVGQH-CYBMUJFWSA-N 1 0 314.363 0.888 20 5 DCBDRO CO[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCS(=O)(=O)C1 ZINC000922615981 666495898 /nfs/dbraw/zinc/49/58/98/666495898.db2.gz QAXQIZINSBLWJQ-ZDUSSCGKSA-N 1 0 314.363 0.888 20 5 DCBDRO CCn1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996429918 666791005 /nfs/dbraw/zinc/79/10/05/666791005.db2.gz WVMVZZKTWBXICD-CHWSQXEVSA-N 1 0 322.369 0.044 20 5 DCBDRO NC(=O)C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001034718890 667123583 /nfs/dbraw/zinc/12/35/83/667123583.db2.gz LCWPNAZCWAQWLM-HAQNSBGRSA-N 1 0 320.349 0.597 20 5 DCBDRO C[NH2+]C[C@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291468 667493766 /nfs/dbraw/zinc/49/37/66/667493766.db2.gz STJNHPNSQALURI-OCCSQVGLSA-N 1 0 309.366 0.876 20 5 DCBDRO C[NH2+]C[C@H]1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290403 667496950 /nfs/dbraw/zinc/49/69/50/667496950.db2.gz MVLKTVKXAJSEIQ-OLZOCXBDSA-N 1 0 309.366 0.876 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000923365657 667517004 /nfs/dbraw/zinc/51/70/04/667517004.db2.gz UAVTYCKIJPAFEN-KFWWJZLASA-N 1 0 323.397 0.759 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923368012 667517661 /nfs/dbraw/zinc/51/76/61/667517661.db2.gz ZKPGNWJKGJNFOE-ZIAGYGMSSA-N 1 0 309.370 0.228 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923412944 667530128 /nfs/dbraw/zinc/53/01/28/667530128.db2.gz LXKFNMWJQLOSIF-FRRDWIJNSA-N 1 0 307.350 0.771 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000923531608 667556139 /nfs/dbraw/zinc/55/61/39/667556139.db2.gz TXHXJBUCODVHHA-ZIAGYGMSSA-N 1 0 309.370 0.370 20 5 DCBDRO COc1cc(S(=O)(=O)NCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000123668994 667829307 /nfs/dbraw/zinc/82/93/07/667829307.db2.gz ZFFZCGSBTXNERN-UHFFFAOYSA-N 1 0 315.351 0.634 20 5 DCBDRO O=[N+]([O-])c1ccc(CN(C2CC2)S(=O)(=O)C2C[NH2+]C2)cc1 ZINC000923631926 667832735 /nfs/dbraw/zinc/83/27/35/667832735.db2.gz KDNOKCLUGVKQQO-UHFFFAOYSA-N 1 0 311.363 0.861 20 5 DCBDRO NC(=O)C1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000746475028 667879501 /nfs/dbraw/zinc/87/95/01/667879501.db2.gz RCHDVMMBWGQEPD-GFCCVEGCSA-N 1 0 323.349 0.722 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1cc([N+](=O)[O-])cn1 ZINC000746643773 667884214 /nfs/dbraw/zinc/88/42/14/667884214.db2.gz KQZPVZGNRZAOQF-MRVWCRGKSA-N 1 0 309.370 0.932 20 5 DCBDRO Cn1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232055 667898306 /nfs/dbraw/zinc/89/83/06/667898306.db2.gz QBIUBCDSESKHCG-QWRGUYRKSA-N 1 0 308.338 0.526 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000887934687 667932997 /nfs/dbraw/zinc/93/29/97/667932997.db2.gz QUPBNXJGIURNNU-ABAIWWIYSA-N 1 0 320.349 0.167 20 5 DCBDRO C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839608636 668122155 /nfs/dbraw/zinc/12/21/55/668122155.db2.gz VTUGKUHZSIXPRT-CHWSQXEVSA-N 1 0 307.350 0.908 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000758124588 668157260 /nfs/dbraw/zinc/15/72/60/668157260.db2.gz OWDFOXPEXSOIPE-JTQLQIEISA-N 1 0 305.338 0.786 20 5 DCBDRO CCC1([NH+]2CCC2)CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000924384943 668203768 /nfs/dbraw/zinc/20/37/68/668203768.db2.gz SSRSJYBLZBAOAV-UHFFFAOYSA-N 1 0 322.369 0.663 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000874842404 668226515 /nfs/dbraw/zinc/22/65/15/668226515.db2.gz GUODPQODDJGOLR-OLZOCXBDSA-N 1 0 307.354 0.877 20 5 DCBDRO C[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763336909 668405431 /nfs/dbraw/zinc/40/54/31/668405431.db2.gz NZOPVRFLBJFQJD-DZGCQCFKSA-N 1 0 322.413 0.707 20 5 DCBDRO C[C@H](CCO)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000779394172 668910516 /nfs/dbraw/zinc/91/05/16/668910516.db2.gz BDBCRQWJLYSPBS-SNVBAGLBSA-N 1 0 317.367 0.234 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000930942117 669109015 /nfs/dbraw/zinc/10/90/15/669109015.db2.gz DFBZYGOAQXVNGQ-LBPRGKRZSA-N 1 0 309.370 0.946 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000880582131 669242605 /nfs/dbraw/zinc/24/26/05/669242605.db2.gz KPEGVGQGCPNWDJ-CYBMUJFWSA-N 1 0 310.354 0.655 20 5 DCBDRO O=C1OCCN1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000785858349 669279225 /nfs/dbraw/zinc/27/92/25/669279225.db2.gz YSGFVYDLIRRIOY-UHFFFAOYSA-N 1 0 309.326 0.880 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935399289 669717446 /nfs/dbraw/zinc/71/74/46/669717446.db2.gz IOWJJDRKUKTFNN-FMKPAKJESA-N 1 0 319.361 0.881 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)OCCC[NH+]1CCCC1 ZINC000800185869 669835416 /nfs/dbraw/zinc/83/54/16/669835416.db2.gz DBBDQZCMRAHRGR-UHFFFAOYSA-N 1 0 309.322 0.786 20 5 DCBDRO CON(C)C(=O)CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000799139778 670043808 /nfs/dbraw/zinc/04/38/08/670043808.db2.gz WCRLOHCSOZZNCQ-LLVKDONJSA-N 1 0 323.353 0.886 20 5 DCBDRO Nc1c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000808224918 670400386 /nfs/dbraw/zinc/40/03/86/670400386.db2.gz XBXZQSBGLUPWCP-SNVBAGLBSA-N 1 0 308.338 0.364 20 5 DCBDRO COCC[NH+]1CCC(OC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC000847884583 670609379 /nfs/dbraw/zinc/60/93/79/670609379.db2.gz LDVAJIVDFCHWAH-UHFFFAOYSA-N 1 0 312.326 0.596 20 5 DCBDRO [NH3+]CCOc1cccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c1 ZINC000818543051 671029433 /nfs/dbraw/zinc/02/94/33/671029433.db2.gz CZGGDFQXKASTKI-UHFFFAOYSA-N 1 0 306.282 0.163 20 5 DCBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H]1CC[NH2+]C1 ZINC000818546359 671030359 /nfs/dbraw/zinc/03/03/59/671030359.db2.gz RPXRWPZNRPSRHL-LBPRGKRZSA-N 1 0 303.322 0.765 20 5 DCBDRO O=C(NCC1C[NH2+]C1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000818566660 671032139 /nfs/dbraw/zinc/03/21/39/671032139.db2.gz KHLKBMMWRYMJRB-UHFFFAOYSA-N 1 0 320.349 0.381 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818611413 671036493 /nfs/dbraw/zinc/03/64/93/671036493.db2.gz HWFUGTLQXXZYMY-AWEZNQCLSA-N 1 0 306.322 0.111 20 5 DCBDRO C[S@](=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819034924 671087706 /nfs/dbraw/zinc/08/77/06/671087706.db2.gz SKJRXJSBOJBYMW-IBGZPJMESA-N 1 0 320.392 0.337 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825763668 671471517 /nfs/dbraw/zinc/47/15/17/671471517.db2.gz AQTZKBUKWCMVBM-JSGCOSHPSA-N 1 0 323.349 0.465 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827278653 671521198 /nfs/dbraw/zinc/52/11/98/671521198.db2.gz XPSISBSLAUWGLJ-KOLCDFICSA-N 1 0 306.322 0.862 20 5 DCBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000834299553 671753127 /nfs/dbraw/zinc/75/31/27/671753127.db2.gz VRMORQVEVRWYFB-JTQLQIEISA-N 1 0 312.757 0.963 20 5 DCBDRO COC[C@@]1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CCC[NH2+]1 ZINC000834763986 671779074 /nfs/dbraw/zinc/77/90/74/671779074.db2.gz HVXQACYGHGTSQR-HNNXBMFYSA-N 1 0 322.365 0.984 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)c1ccccc1 ZINC000843060837 672057186 /nfs/dbraw/zinc/05/71/86/672057186.db2.gz CROCNRPYRIVOHN-CQDKDKBSSA-N 1 0 320.349 0.864 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000841210137 685364057 /nfs/dbraw/zinc/36/40/57/685364057.db2.gz WJCJMNFNLBGEDV-UHFFFAOYSA-N 1 0 324.312 0.978 20 5 DCBDRO Cc1nn(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1[N+](=O)[O-] ZINC000902641708 685458169 /nfs/dbraw/zinc/45/81/69/685458169.db2.gz AEUWMLYTQCWFGK-CHWSQXEVSA-N 1 0 309.370 0.588 20 5 DCBDRO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001020138782 693709688 /nfs/dbraw/zinc/70/96/88/693709688.db2.gz AFGIOAZLXZPLKP-FDYHWXHSSA-N 1 0 320.349 0.492 20 5 DCBDRO Cc1nn(C)cc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138846 693709799 /nfs/dbraw/zinc/70/97/99/693709799.db2.gz DOIBRJNSDHLYTJ-FDYHWXHSSA-N 1 0 307.354 0.131 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](CCn1cccn1)C2 ZINC001072725593 694657256 /nfs/dbraw/zinc/65/72/56/694657256.db2.gz PZHNLKTYIAKASH-CHWSQXEVSA-N 1 0 319.365 0.083 20 5 DCBDRO C[C@@]1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@H](O)C[NH2+]1 ZINC001576330460 1164302934 /nfs/dbraw/zinc/30/29/34/1164302934.db2.gz PFPUQIZDWVPDNX-NHYWBVRUSA-N 1 0 321.333 0.297 20 5 DCBDRO CCC1([NH3+])CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001577225788 1164643479 /nfs/dbraw/zinc/64/34/79/1164643479.db2.gz BDROIDQCSZNJLB-UHFFFAOYSA-N 1 0 308.338 0.486 20 5 DCBDRO CC[NH2+]CC(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC001577830318 1164808725 /nfs/dbraw/zinc/80/87/25/1164808725.db2.gz MUMONXZWYSCFBH-CQSZACIVSA-N 1 0 309.322 0.709 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC001620503203 1165089241 /nfs/dbraw/zinc/08/92/41/1165089241.db2.gz CQVMMPMOMLGPAS-KGLIPLIRSA-N 1 0 323.349 0.659 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCC([NH3+])CC1 ZINC001579179292 1165231612 /nfs/dbraw/zinc/23/16/12/1165231612.db2.gz FHMSOASSJLOEEF-UHFFFAOYSA-N 1 0 322.365 0.756 20 5 DCBDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccccc1[N+](=O)[O-] ZINC001579485529 1165328498 /nfs/dbraw/zinc/32/84/98/1165328498.db2.gz WCWZLQMHQZTJHT-OPQQBVKSSA-N 1 0 308.338 0.535 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@]1(CO)CCC[NH2+]C1 ZINC001579642386 1165369449 /nfs/dbraw/zinc/36/94/49/1165369449.db2.gz CTZGOYZEUGGXFX-OAHLLOKOSA-N 1 0 322.365 0.546 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CCC([NH3+])CC1 ZINC001580449979 1165604898 /nfs/dbraw/zinc/60/48/98/1165604898.db2.gz ZIZSAEHLVWNLKM-UHFFFAOYSA-N 1 0 307.354 0.330 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001580755176 1165710865 /nfs/dbraw/zinc/71/08/65/1165710865.db2.gz IGXVRZGOUONTGB-QOBDMFJFSA-N 1 0 316.317 0.422 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@H]21 ZINC001591024664 1167085412 /nfs/dbraw/zinc/08/54/12/1167085412.db2.gz JIAYVQZSGAEUDE-JZYVYDRUSA-N 1 0 316.325 0.166 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)c(F)cc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001593469481 1167857872 /nfs/dbraw/zinc/85/78/72/1167857872.db2.gz SCWOHSIUPUYYBL-OCAPTIKFSA-N 1 0 319.300 0.570 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC001593467420 1167859292 /nfs/dbraw/zinc/85/92/92/1167859292.db2.gz QDFCKOPRGYRZRF-LLVKDONJSA-N 1 0 304.310 0.732 20 5 DCBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC[C@@H](O)C2)c(-c2nn[nH]n2)c1 ZINC001593477917 1167864000 /nfs/dbraw/zinc/86/40/00/1167864000.db2.gz JPVDCWMJYNUCOI-SNVBAGLBSA-N 1 0 319.325 0.253 20 5 DCBDRO C[NH+](C)CC1CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604679847 1169653269 /nfs/dbraw/zinc/65/32/69/1169653269.db2.gz CQGIBRUVVPGVHX-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO C[NH+](C)CC1CN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001604681096 1169655222 /nfs/dbraw/zinc/65/52/22/1169655222.db2.gz VWJNXRJOFAZBGL-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO CN(CC[NH+]1CCCC1)c1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604764293 1169671765 /nfs/dbraw/zinc/67/17/65/1169671765.db2.gz SNCNVGPWPAOELN-UHFFFAOYSA-N 1 0 318.341 0.702 20 5 DCBDRO O=c1cc([C@@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]c(=O)[nH]1 ZINC001619396677 1171401192 /nfs/dbraw/zinc/40/11/92/1171401192.db2.gz OHKJCHYEMRYIBH-SECBINFHSA-N 1 0 320.309 0.482 20 5 DCBDRO Cc1noc(C[NH+]2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[N+](=O)[O-] ZINC001620487818 1171403181 /nfs/dbraw/zinc/40/31/81/1171403181.db2.gz FRLCAIMYCWOSDX-STQMWFEESA-N 1 0 308.294 0.376 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001629540941 1171552649 /nfs/dbraw/zinc/55/26/49/1171552649.db2.gz ATSZIMNBFNQHFY-LBPRGKRZSA-N 1 0 322.365 0.605 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001636885131 1171752315 /nfs/dbraw/zinc/75/23/15/1171752315.db2.gz ULHXNGZXAFGDEB-RYUDHWBXSA-N 1 0 308.338 0.594 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC001637591855 1171771232 /nfs/dbraw/zinc/77/12/32/1171771232.db2.gz CSEMSXGCRQQNRY-UHFFFAOYSA-N 1 0 300.278 0.906 20 5 DCBDRO COC(=O)[C@]1(O)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001644291447 1172001776 /nfs/dbraw/zinc/00/17/76/1172001776.db2.gz HDASIFONVOXIEP-OCCSQVGLSA-N 1 0 310.306 0.238 20 5 DCBDRO O=[N+]([O-])c1cc(CO)c(N2CC([NH2+][C@@H]3CCOC3)C2)cc1F ZINC001651456475 1173749179 /nfs/dbraw/zinc/74/91/79/1173749179.db2.gz CJJSAZOGEQBDSG-SNVBAGLBSA-N 1 0 311.313 0.793 20 5 DCBDRO COCC[N@@H+](CCC(=O)OC)CCn1ccc([N+](=O)[O-])n1 ZINC001652476133 1173770044 /nfs/dbraw/zinc/77/00/44/1173770044.db2.gz JLWUQRNKMOQBBC-UHFFFAOYSA-N 1 0 300.315 0.303 20 5 DCBDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001654291530 1173804042 /nfs/dbraw/zinc/80/40/42/1173804042.db2.gz VUNNSVHJYLXTKQ-XHDPSFHLSA-N 1 0 323.349 0.741 20 5 DCBDRO O=C(CC[N@@H+]1C[C@H](O)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654688400 1173808747 /nfs/dbraw/zinc/80/87/47/1173808747.db2.gz UUTVDLGQRGSAHC-MFKMUULPSA-N 1 0 309.322 0.208 20 5 DCBDRO O=C(CC[N@H+]1C[C@H](CO)[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654688401 1173809820 /nfs/dbraw/zinc/80/98/20/1173809820.db2.gz UUTVDLGQRGSAHC-ZWNOBZJWSA-N 1 0 309.322 0.208 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC001654767413 1173810574 /nfs/dbraw/zinc/81/05/74/1173810574.db2.gz QVUBTSNPAWJDLC-JSGCOSHPSA-N 1 0 312.370 0.637 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001655303394 1173817563 /nfs/dbraw/zinc/81/75/63/1173817563.db2.gz JNYGZNDORHTRHI-NSHDSACASA-N 1 0 322.369 0.247 20 5 DCBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC001655427404 1173819391 /nfs/dbraw/zinc/81/93/91/1173819391.db2.gz LUJOMWXTZWTIGQ-YUTCNCBUSA-N 1 0 312.370 0.947 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1C(=O)NCC1(C)C ZINC001655483253 1173821054 /nfs/dbraw/zinc/82/10/54/1173821054.db2.gz PMAQHMLMPJPIKZ-CYBMUJFWSA-N 1 0 320.349 0.956 20 5 DCBDRO COCC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001659585416 1173934694 /nfs/dbraw/zinc/93/46/94/1173934694.db2.gz BWHCQGXQBBZELU-ZDUSSCGKSA-N 1 0 324.381 0.946 20 5 DCBDRO O=C(NCC1([NH2+]CCn2cccn2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001666759925 1174635003 /nfs/dbraw/zinc/63/50/03/1174635003.db2.gz OXERWLXTIIPTLQ-CHWSQXEVSA-N 1 0 321.381 0.567 20 5 DCBDRO Cc1nn(C)cc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001670090838 1174980273 /nfs/dbraw/zinc/98/02/73/1174980273.db2.gz NWOZQWMDDTUNKQ-CHWSQXEVSA-N 1 0 309.370 0.332 20 5 DCBDRO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001723154921 1184268855 /nfs/dbraw/zinc/26/88/55/1184268855.db2.gz RUDOVLCJLJBXLI-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO COCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001731562140 1185389018 /nfs/dbraw/zinc/38/90/18/1185389018.db2.gz VAPBSDNGBHAXSK-JYAVWHMHSA-N 1 0 305.334 0.788 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C=C1CCC1 ZINC001731902407 1185559519 /nfs/dbraw/zinc/55/95/19/1185559519.db2.gz NHVPWFCFDBAESH-UHFFFAOYSA-N 1 0 307.354 0.987 20 5 DCBDRO CC(C)[N@H+](CCCNC(=O)C(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001732013827 1185635226 /nfs/dbraw/zinc/63/52/26/1185635226.db2.gz PWGGCZDTRABRKX-UHFFFAOYSA-N 1 0 322.365 0.797 20 5 DCBDRO CCOCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001733686119 1186399299 /nfs/dbraw/zinc/39/92/99/1186399299.db2.gz RNBHPABJAUPYIM-AAVRWANBSA-N 1 0 313.398 0.953 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@H]21 ZINC001164671898 719397146 /nfs/dbraw/zinc/39/71/46/719397146.db2.gz ZJQJOOLKTUDQGS-ZJUUUORDSA-N 1 0 314.729 0.401 20 5 DCBDRO Cn1nccc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124539320 751668738 /nfs/dbraw/zinc/66/87/38/751668738.db2.gz KLKJKZFZPZMVEX-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO [NH3+][C@H]1CN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC001167089588 746968778 /nfs/dbraw/zinc/96/87/78/746968778.db2.gz SSWHRXCBZXVVGB-WCBMZHEXSA-N 1 0 309.713 0.700 20 5 DCBDRO COC[C@](C)(CO)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001207118535 747176430 /nfs/dbraw/zinc/17/64/30/747176430.db2.gz GUSZVFXRVNIXGP-ZDUSSCGKSA-N 1 0 300.311 0.796 20 5 DCBDRO CCOC(=O)c1cc(-n2nnc(CC[NH3+])n2)ccc1[N+](=O)[O-] ZINC001167793259 748317812 /nfs/dbraw/zinc/31/78/12/748317812.db2.gz XZBJGKVMEGSBOG-UHFFFAOYSA-N 1 0 306.282 0.248 20 5 DCBDRO Cc1cccc(OCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126942650 750154726 /nfs/dbraw/zinc/15/47/26/750154726.db2.gz DFZFIJULOUETEA-ZIAGYGMSSA-N 1 0 307.350 0.745 20 5 DCBDRO COC(=O)Cc1ccc(-n2ccnc2C(N)=[NH2+])cc1[N+](=O)[O-] ZINC001168418255 750711372 /nfs/dbraw/zinc/71/13/72/750711372.db2.gz XBXJLZHYDDNUIH-UHFFFAOYSA-N 1 0 303.278 0.780 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CC[N@@H+]2CC[C@H]1C2 ZINC000597709163 750991615 /nfs/dbraw/zinc/99/16/15/750991615.db2.gz XAXMAAZSMYZKEM-JTQLQIEISA-N 1 0 319.317 0.896 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2C1 ZINC001048812560 754955184 /nfs/dbraw/zinc/95/51/84/754955184.db2.gz KXVXPOKQOMPTPN-LXTVHRRPSA-N 1 0 323.393 0.468 20 5 DCBDRO COc1ccc(C[C@H](C)N2CCO[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1 ZINC001170351731 762625244 /nfs/dbraw/zinc/62/52/44/762625244.db2.gz HIJBZRQGDAKWFD-IINYFYTJSA-N 1 0 323.349 0.721 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ncn1 ZINC001086084395 759694767 /nfs/dbraw/zinc/69/47/67/759694767.db2.gz PBDOXJWWQWUNNV-ZMJPVWNMSA-N 1 0 319.365 0.435 20 5 DCBDRO CS(=O)(=O)N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169009837 760543611 /nfs/dbraw/zinc/54/36/11/760543611.db2.gz YKQJXYRYFSBRTJ-ZYHUDNBSSA-N 1 0 305.400 0.445 20 5 DCBDRO O=C(CN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169029659 760550423 /nfs/dbraw/zinc/55/04/23/760550423.db2.gz UYVVZXOABZZCGP-CABCVRRESA-N 1 0 324.425 0.672 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1nccs1 ZINC001169041333 760556926 /nfs/dbraw/zinc/55/69/26/760556926.db2.gz JQUPNMRSDUWOPF-UHFFFAOYSA-N 1 0 324.366 0.695 20 5 DCBDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046276 760561823 /nfs/dbraw/zinc/56/18/23/760561823.db2.gz KFIWAKAPYSHGTL-WOPDTQHZSA-N 1 0 313.354 0.185 20 5 DCBDRO CCS(=O)(=O)N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]C1 ZINC001169048621 760563620 /nfs/dbraw/zinc/56/36/20/760563620.db2.gz ABEDASDMJKCEBF-JHJVBQTASA-N 1 0 319.427 0.836 20 5 DCBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(C)=O ZINC001169054883 760564654 /nfs/dbraw/zinc/56/46/54/760564654.db2.gz NZKHDKGUSSDEMH-AVGNSLFASA-N 1 0 313.354 0.138 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)n1 ZINC001169420920 760672517 /nfs/dbraw/zinc/67/25/17/760672517.db2.gz WQDIXZTXPKZZFQ-CYBMUJFWSA-N 1 0 320.353 0.960 20 5 DCBDRO CC(C)(C(N)=O)C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129931114 763054023 /nfs/dbraw/zinc/05/40/23/763054023.db2.gz FWRVNCHMHSEQOI-UHFFFAOYSA-N 1 0 308.338 0.312 20 5 DCBDRO CC(C)[N@H+](C)CC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001100149827 763354572 /nfs/dbraw/zinc/35/45/72/763354572.db2.gz RMOJJVQKKQWWIG-UHFFFAOYSA-N 1 0 309.370 0.882 20 5 DCBDRO [NH3+]CCOCCOCCNc1cc([N+](=O)[O-])c2nncn2c1 ZINC001170512752 763486015 /nfs/dbraw/zinc/48/60/15/763486015.db2.gz KZFRIWCKZNKNGB-UHFFFAOYSA-N 1 0 310.314 0.041 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170572072 763875123 /nfs/dbraw/zinc/87/51/23/763875123.db2.gz GPKPGOUIEJUYBX-KWQFWETISA-N 1 0 310.310 0.565 20 5 DCBDRO Cc1nn[nH]c1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001132229245 764323859 /nfs/dbraw/zinc/32/38/59/764323859.db2.gz FTLKBESHAPDEOR-UHFFFAOYSA-N 1 0 310.339 0.602 20 5 DCBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170776635 765708179 /nfs/dbraw/zinc/70/81/79/765708179.db2.gz BINIGCKFKDDENA-ONGXEEELSA-N 1 0 309.322 0.764 20 5 DCBDRO CC(=O)N1CCc2cc(N[C@@H]3C[NH2+]C[C@H]3CO)cc([N+](=O)[O-])c21 ZINC001170778733 765728391 /nfs/dbraw/zinc/72/83/91/765728391.db2.gz ARKJWELWSRSNOE-WCQYABFASA-N 1 0 320.349 0.496 20 5 DCBDRO CCOC(=O)c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)ccc1[N+](=O)[O-] ZINC001170790820 765794711 /nfs/dbraw/zinc/79/47/11/765794711.db2.gz YWTDLHXZMIMNBX-JOYOIKCWSA-N 1 0 309.322 0.764 20 5 DCBDRO CC(C)[NH+]1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001116259225 765854423 /nfs/dbraw/zinc/85/44/23/765854423.db2.gz BCSAUVQJGCUHKR-UHFFFAOYSA-N 1 0 322.365 0.746 20 5 DCBDRO CC(=O)NC(C)(C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001135381238 765911478 /nfs/dbraw/zinc/91/14/78/765911478.db2.gz VLXDLRINADJVBU-UHFFFAOYSA-N 1 0 322.365 0.715 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC001118225169 766260071 /nfs/dbraw/zinc/26/00/71/766260071.db2.gz BKJVAVJTOKIHKA-MFKMUULPSA-N 1 0 323.353 0.297 20 5 DCBDRO CO[C@H](C[NH3+])CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001118264673 766272819 /nfs/dbraw/zinc/27/28/19/766272819.db2.gz KZTLAISFBISBJK-NSHDSACASA-N 1 0 311.342 0.319 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001136668797 766420674 /nfs/dbraw/zinc/42/06/74/766420674.db2.gz CAJYIVKOQXGBAD-SWLSCSKDSA-N 1 0 323.349 0.545 20 5 DCBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001118947050 766481406 /nfs/dbraw/zinc/48/14/06/766481406.db2.gz MWYSNYPEICVWEW-LBPRGKRZSA-N 1 0 322.365 0.605 20 5 DCBDRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC001171144954 766812117 /nfs/dbraw/zinc/81/21/17/766812117.db2.gz SLOBRDATFCSSOZ-DGCLKSJQSA-N 1 0 323.349 0.910 20 5 DCBDRO CC1(C)CCCN1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001120503801 767046234 /nfs/dbraw/zinc/04/62/34/767046234.db2.gz YWWVXSNNIGCWGF-CYBMUJFWSA-N 1 0 311.386 0.616 20 5 DCBDRO CC(C)C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC001120571316 767081566 /nfs/dbraw/zinc/08/15/66/767081566.db2.gz ZPWSCTSESBGPFK-TZMCWYRMSA-N 1 0 313.402 0.718 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001122411441 767795222 /nfs/dbraw/zinc/79/52/22/767795222.db2.gz JQQPVUJRIURNLA-AWEZNQCLSA-N 1 0 307.354 0.844 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122417257 767797124 /nfs/dbraw/zinc/79/71/24/767797124.db2.gz BIXDHODZWVFHJZ-LLVKDONJSA-N 1 0 309.322 0.420 20 5 DCBDRO O=C(NCCC[N@@H+](CCO)Cc1cccnc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001230763440 768838165 /nfs/dbraw/zinc/83/81/65/768838165.db2.gz ZJNVSGMWQOCYKP-ZIAGYGMSSA-N 1 0 322.365 0.047 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](CO)Cc1c[nH]cn1 ZINC001152485900 769574209 /nfs/dbraw/zinc/57/42/09/769574209.db2.gz DGFNBWDRTOEVJY-NSHDSACASA-N 1 0 320.305 0.417 20 5 DCBDRO CCOC(=O)c1cccnc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001234620089 769707046 /nfs/dbraw/zinc/70/70/46/769707046.db2.gz GEPITLDXNMTDKC-LLVKDONJSA-N 1 0 311.358 0.621 20 5 DCBDRO O=C(Cn1ccnc1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001153487745 769826936 /nfs/dbraw/zinc/82/69/36/769826936.db2.gz LRNVNJQQJHFYBQ-UHFFFAOYSA-N 1 0 309.351 0.759 20 5 DCBDRO O=C(N[C@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001175181127 769876347 /nfs/dbraw/zinc/87/63/47/769876347.db2.gz RWIGAGHPLNOQAE-RYUDHWBXSA-N 1 0 323.353 0.426 20 5 DCBDRO NC(=O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001175783650 769962737 /nfs/dbraw/zinc/96/27/37/769962737.db2.gz WLMJKNDDGSSBFK-UHFFFAOYSA-N 1 0 323.349 0.940 20 5 DCBDRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001176028856 770005096 /nfs/dbraw/zinc/00/50/96/770005096.db2.gz QGBDETPCVIWTGM-NXEZZACHSA-N 1 0 309.322 0.923 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001155084936 770392325 /nfs/dbraw/zinc/39/23/25/770392325.db2.gz WMPKWXAMMNUADP-UHFFFAOYSA-N 1 0 306.282 0.393 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncnc3cc([N+](=O)[O-])ccc32)N1 ZINC001155571187 770548850 /nfs/dbraw/zinc/54/88/50/770548850.db2.gz RMODOORSCXITML-BXUZGUMPSA-N 1 0 314.305 0.528 20 5 DCBDRO COC(=O)c1cnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c([N+](=O)[O-])c1 ZINC001155636688 770574481 /nfs/dbraw/zinc/57/44/81/770574481.db2.gz LNJQDMBFOYCFRL-YWVKMMECSA-N 1 0 308.294 0.318 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N(c2ncccn2)C2C[NH2+]C2)n1 ZINC001155871921 770644770 /nfs/dbraw/zinc/64/47/70/770644770.db2.gz SFFGPICTUZAPPA-UHFFFAOYSA-N 1 0 317.309 0.602 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N2CC[NH2+][C@H](C)C2)c1[N+](=O)[O-] ZINC001156688981 770894938 /nfs/dbraw/zinc/89/49/38/770894938.db2.gz HBRIYRXKKCWPJA-ZCFIWIBFSA-N 1 0 315.717 0.623 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cncnc1 ZINC001156981666 770989418 /nfs/dbraw/zinc/98/94/18/770989418.db2.gz GOTOCGPGGXHMLN-UHFFFAOYSA-N 1 0 319.325 0.028 20 5 DCBDRO N=C(NCCCC[NH3+])Nc1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001157097046 771533721 /nfs/dbraw/zinc/53/37/21/771533721.db2.gz RIVMUNQBDDJSME-UHFFFAOYSA-N 1 0 302.722 0.557 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001157115249 771539629 /nfs/dbraw/zinc/53/96/29/771539629.db2.gz XMVNLLULFXSEQE-MRVPVSSYSA-N 1 0 313.270 0.590 20 5 DCBDRO NC(=O)c1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157761714 771665203 /nfs/dbraw/zinc/66/52/03/771665203.db2.gz ZCLIWKPTAWYGIY-CHWSQXEVSA-N 1 0 320.349 0.047 20 5 DCBDRO COc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157761320 771665370 /nfs/dbraw/zinc/66/53/70/771665370.db2.gz OMGBOUGPJLCNFY-VXGBXAGGSA-N 1 0 308.338 0.351 20 5 DCBDRO Cc1nc(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001157767046 771665742 /nfs/dbraw/zinc/66/57/42/771665742.db2.gz FKADJKXXMVOLPP-VXGBXAGGSA-N 1 0 312.395 0.755 20 5 DCBDRO CC(C)CCOCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775250 771670518 /nfs/dbraw/zinc/67/05/18/771670518.db2.gz MUFHKFRMSWPPNM-CHWSQXEVSA-N 1 0 301.387 0.810 20 5 DCBDRO [NH3+]Cc1cccc(-c2nnn(-c3cc([N+](=O)[O-])cc[n+]3[O-])n2)c1 ZINC001158042761 771718432 /nfs/dbraw/zinc/71/84/32/771718432.db2.gz MXEFGTJCBIIXBM-UHFFFAOYSA-N 1 0 313.277 0.330 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2CCO[C@H](C[NH+]3CCCC3)C2)n1 ZINC001158309060 771756594 /nfs/dbraw/zinc/75/65/94/771756594.db2.gz AJOAUFQEWJUXPL-GFCCVEGCSA-N 1 0 307.354 0.994 20 5 DCBDRO CC(=O)[C@@H]1CCCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158836198 771825607 /nfs/dbraw/zinc/82/56/07/771825607.db2.gz JLRJJAXCBPIBTD-NSHDSACASA-N 1 0 320.353 0.352 20 5 DCBDRO [NH3+]CCOCCOCCNc1ncnc2cc([N+](=O)[O-])ccc21 ZINC001159444591 771911400 /nfs/dbraw/zinc/91/14/00/771911400.db2.gz JQSZQBPUEZTCTN-UHFFFAOYSA-N 1 0 321.337 0.942 20 5 DCBDRO CCOC(=O)C1=C(Nc2ncc([N+](=O)[O-])cc2N)CC[NH2+]C1 ZINC001159453764 771912365 /nfs/dbraw/zinc/91/23/65/771912365.db2.gz PXRRGKZXOIOTSO-UHFFFAOYSA-N 1 0 307.310 0.794 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cc(Cl)cc([N+](=O)[O-])n1 ZINC001159863685 771970283 /nfs/dbraw/zinc/97/02/83/771970283.db2.gz BXEKWBSDTBFAGX-UHFFFAOYSA-N 1 0 302.718 0.971 20 5 DCBDRO COc1cnc(N[C@@]2(C[NH3+])CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001160510737 772053451 /nfs/dbraw/zinc/05/34/51/772053451.db2.gz JGMDRWZDQCOKCA-AWEZNQCLSA-N 1 0 307.354 0.833 20 5 DCBDRO COC(=O)[C@H]1C[C@@H]1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001161048600 772158578 /nfs/dbraw/zinc/15/85/78/772158578.db2.gz KSUVZDYPDIDGHJ-APPZFPTMSA-N 1 0 307.310 0.293 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NCCN1CCC([NH3+])CC1 ZINC001161867042 772291475 /nfs/dbraw/zinc/29/14/75/772291475.db2.gz JQQXNBXVZAZYIA-UHFFFAOYSA-N 1 0 323.353 0.611 20 5 DCBDRO NC(=O)c1ccnc(NC[C@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001162581061 772394905 /nfs/dbraw/zinc/39/49/05/772394905.db2.gz XNJCHCJLYQLWTE-ZDUSSCGKSA-N 1 0 311.317 0.982 20 5 DCBDRO COc1nc(C)nc(NCC[C@@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001163082995 772457724 /nfs/dbraw/zinc/45/77/24/772457724.db2.gz XDUZMFVXUKULSX-SNVBAGLBSA-N 1 0 323.353 0.882 20 5 DCBDRO COC(=O)c1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc([N+](=O)[O-])c1 ZINC001163252081 772491753 /nfs/dbraw/zinc/49/17/53/772491753.db2.gz DTWJKCZSUPEPED-RISCZKNCSA-N 1 0 320.305 0.371 20 5 DCBDRO CC(=O)Nc1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163255366 772494857 /nfs/dbraw/zinc/49/48/57/772494857.db2.gz YQXLJVMQEFCHDD-TZMCWYRMSA-N 1 0 319.321 0.543 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001163310807 772504182 /nfs/dbraw/zinc/50/41/82/772504182.db2.gz PTQSIXZEPMANMA-TVQRCGJNSA-N 1 0 309.326 0.716 20 5 DCBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1ncc(OC)cc1[N+](=O)[O-] ZINC001163438805 772524811 /nfs/dbraw/zinc/52/48/11/772524811.db2.gz OPYVOKHKWCDKOB-JTQLQIEISA-N 1 0 311.342 0.654 20 5 DCBDRO [NH3+]CCN(CCO)c1nccc(Br)c1[N+](=O)[O-] ZINC001163836686 772580195 /nfs/dbraw/zinc/58/01/95/772580195.db2.gz ZYYXAABZCCYXHP-UHFFFAOYSA-N 1 0 305.132 0.510 20 5 DCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC[C@@]1(C)O ZINC001164354855 772649543 /nfs/dbraw/zinc/64/95/43/772649543.db2.gz VCQVIPHAVLWKKU-YMTOWFKASA-N 1 0 307.354 0.669 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3C[NH+](C)C[C@H]3C2)n1 ZINC001165151477 772701758 /nfs/dbraw/zinc/70/17/58/772701758.db2.gz RQJSXBWSULUZRY-QWRGUYRKSA-N 1 0 320.353 0.649 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1ncc2c1CC[NH2+]C2 ZINC001165218543 772706706 /nfs/dbraw/zinc/70/67/06/772706706.db2.gz ODAVTUDWYGZNOV-UHFFFAOYSA-N 1 0 303.278 0.608 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ncc3c2CC[NH2+]C3)n1 ZINC001165222367 772707117 /nfs/dbraw/zinc/70/71/17/772707117.db2.gz BDRMQMCXIJCFAT-UHFFFAOYSA-N 1 0 317.309 0.483 20 5 DCBDRO Cc1nc(Cl)nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC001165281156 772716812 /nfs/dbraw/zinc/71/68/12/772716812.db2.gz FZWJCEMLEFQIGU-PELKAZGASA-N 1 0 313.745 0.365 20 5 DCBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CCOCC12C[NH2+]C2 ZINC001165285397 772717907 /nfs/dbraw/zinc/71/79/07/772717907.db2.gz BBPXUFPCTSMNER-UHFFFAOYSA-N 1 0 320.136 0.870 20 5 DCBDRO COc1ncnc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001165292556 772718697 /nfs/dbraw/zinc/71/86/97/772718697.db2.gz MWPXAFZNWXVHTQ-NXEZZACHSA-N 1 0 309.326 0.208 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[NH2+]CC[C@H]32)n1 ZINC001165298120 772720077 /nfs/dbraw/zinc/72/00/77/772720077.db2.gz SJHRWTNOACXHBW-VHSXEESVSA-N 1 0 306.326 0.592 20 5 DCBDRO COC(=O)C1(Nc2nc([N+](=O)[O-])ccc2OC)CC[NH2+]CC1 ZINC001166946839 772886079 /nfs/dbraw/zinc/88/60/79/772886079.db2.gz ASRKHRVKKPSIAW-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001218859441 774316256 /nfs/dbraw/zinc/31/62/56/774316256.db2.gz NFIPCGRXQHXRJS-ABKXIKBNSA-N 1 0 322.372 0.993 20 5 DCBDRO Cn1nnc2cc(COC(=O)C[C@@H](O)C[N+](C)(C)C)ccc21 ZINC001223034653 775455163 /nfs/dbraw/zinc/45/51/63/775455163.db2.gz FMVXVATXYYCZBU-GFCCVEGCSA-N 1 0 307.374 0.469 20 5 DCBDRO COC(=O)c1cccnc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223437559 775491016 /nfs/dbraw/zinc/49/10/16/775491016.db2.gz YMUMTSYPIGBQNS-LLVKDONJSA-N 1 0 311.358 0.369 20 5 DCBDRO CN(CCCNC(=O)CC[NH+](C)C)c1ccc([N+](=O)[O-])cn1 ZINC001095731894 775592516 /nfs/dbraw/zinc/59/25/16/775592516.db2.gz BQFOBHXOUFNMGC-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO C[C@H](COC(=O)C[C@@H](O)C[N+](C)(C)C)NC(=O)OC(C)(C)C ZINC001225160218 775649799 /nfs/dbraw/zinc/64/97/99/775649799.db2.gz ANSZHAZOWIILRE-VXGBXAGGSA-O 1 0 319.422 0.900 20 5 DCBDRO CC(=O)N(C)CC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001317571247 945064639 /nfs/dbraw/zinc/06/46/39/945064639.db2.gz SGYREXFMCCCTEC-UHFFFAOYSA-N 1 0 322.365 0.621 20 5 DCBDRO CCCCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266900854 939270916 /nfs/dbraw/zinc/27/09/16/939270916.db2.gz MMZMFYKQFIUHEG-RGDJUOJXSA-N 1 0 311.382 0.515 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]C[C@@H](O)C2)n1 ZINC001247749447 945571532 /nfs/dbraw/zinc/57/15/32/945571532.db2.gz PUXIZUHOMBUQHP-SVRRBLITSA-N 1 0 309.257 0.617 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319375871 945571627 /nfs/dbraw/zinc/57/16/27/945571627.db2.gz LLMZBBCMVUCXSA-NSHDSACASA-N 1 0 308.338 0.215 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[C@H]3C[NH2+]C[C@H]3N2)n1 ZINC001247920732 945583833 /nfs/dbraw/zinc/58/38/33/945583833.db2.gz LCTSKSRAQKPQMZ-CNUIFLNQSA-N 1 0 320.284 0.801 20 5 DCBDRO Cc1noc(C)c1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001321051246 946140728 /nfs/dbraw/zinc/14/07/28/946140728.db2.gz KQDFUHZMTPWLEM-CWBMUHOVSA-N 1 0 308.338 0.719 20 5 DCBDRO O=C(CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC001254567357 946410615 /nfs/dbraw/zinc/41/06/15/946410615.db2.gz MXLWOMCYCNSBSJ-CQSZACIVSA-N 1 0 319.361 0.901 20 5 DCBDRO CCOC(=O)CNC(=O)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581139 946412204 /nfs/dbraw/zinc/41/22/04/946412204.db2.gz IVMNLOHZQFNXPN-GFCCVEGCSA-N 1 0 321.333 0.331 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC(F)(F)[C@H](CO)C2)c1 ZINC001324277303 947374474 /nfs/dbraw/zinc/37/44/74/947374474.db2.gz GBCOWXJGPXRKEG-GXSJLCMTSA-N 1 0 320.296 0.102 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001261637496 947382085 /nfs/dbraw/zinc/38/20/85/947382085.db2.gz VSYCVTNFFWVUBT-CQSZACIVSA-N 1 0 322.365 0.163 20 5 DCBDRO NC(=O)COC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001324938744 947580101 /nfs/dbraw/zinc/58/01/01/947580101.db2.gz JVZKDDWLTPGOQR-CQSZACIVSA-N 1 0 323.349 0.595 20 5 DCBDRO Cn1cc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c([N+](=O)[O-])n1 ZINC001262319818 947652007 /nfs/dbraw/zinc/65/20/07/947652007.db2.gz RDHIXYBQNUDQCD-LBPRGKRZSA-N 1 0 310.354 0.834 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC001262568058 947730033 /nfs/dbraw/zinc/73/00/33/947730033.db2.gz KTNXHIMGAUFWIG-QLFBSQMISA-N 1 0 323.397 0.759 20 5 DCBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001326155620 948076899 /nfs/dbraw/zinc/07/68/99/948076899.db2.gz FKUUMUHWXGTKEK-MELADBBJSA-N 1 0 311.386 0.615 20 5 DCBDRO [NH3+]CCc1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC001328413026 948887206 /nfs/dbraw/zinc/88/72/06/948887206.db2.gz NDDBYAGTMYCRHL-UHFFFAOYSA-N 1 0 305.294 0.338 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001328965789 949244148 /nfs/dbraw/zinc/24/41/48/949244148.db2.gz QYSHJOPQGLZIKG-MWLCHTKSSA-N 1 0 306.322 0.250 20 5 DCBDRO CN(CCC[NH3+])C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329945797 949997761 /nfs/dbraw/zinc/99/77/61/949997761.db2.gz QSCFAHIEWUYQSN-UHFFFAOYSA-N 1 0 306.322 0.244 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331930435 951393905 /nfs/dbraw/zinc/39/39/05/951393905.db2.gz FYBKRFVLQDPWJK-HIFRSBDPSA-N 1 0 305.334 0.892 20 5 DCBDRO CC(C)c1noc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC001331958421 951411838 /nfs/dbraw/zinc/41/18/38/951411838.db2.gz KWDWEQOQTHIPQB-LLVKDONJSA-N 1 0 324.341 0.491 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC001332695283 951766656 /nfs/dbraw/zinc/76/66/56/951766656.db2.gz VTMKZFAHJLNAIU-UHFFFAOYSA-N 1 0 307.354 0.947 20 5 DCBDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001333615662 952116015 /nfs/dbraw/zinc/11/60/15/952116015.db2.gz URZMYARCPBHUHJ-NWDGAFQWSA-N 1 0 320.349 0.597 20 5 DCBDRO Cc1nc(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC001333872447 952183064 /nfs/dbraw/zinc/18/30/64/952183064.db2.gz KTALDXQEEZRTEI-NWDGAFQWSA-N 1 0 307.354 0.729 20 5 DCBDRO Cc1ccc(CNC(=O)N2CCNCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001335590395 952562270 /nfs/dbraw/zinc/56/22/70/952562270.db2.gz LPEDWCVYHSUYPR-UHFFFAOYSA-N 1 0 321.381 0.608 20 5 DCBDRO CCc1nocc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276001262 952606584 /nfs/dbraw/zinc/60/65/84/952606584.db2.gz GUEQMPDUVFZLKU-DGCLKSJQSA-N 1 0 310.354 0.840 20 5 DCBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)O ZINC001335880436 952614297 /nfs/dbraw/zinc/61/42/97/952614297.db2.gz BJAPFXDMGSOCNK-RYUDHWBXSA-N 1 0 300.359 0.537 20 5 DCBDRO C[NH+]1CCC(NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001340215888 953154862 /nfs/dbraw/zinc/15/48/62/953154862.db2.gz XWFCLCOBXJZJHW-UHFFFAOYSA-N 1 0 320.349 0.421 20 5 DCBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341368423 953226600 /nfs/dbraw/zinc/22/66/00/953226600.db2.gz MWWJQEAVDUDADO-IACUBPJLSA-N 1 0 317.345 0.945 20 5 DCBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC001341622942 953241372 /nfs/dbraw/zinc/24/13/72/953241372.db2.gz JEQRBTGUQKCREV-RYUDHWBXSA-N 1 0 324.385 0.232 20 5 DCBDRO CN(C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001342028276 953264976 /nfs/dbraw/zinc/26/49/76/953264976.db2.gz XWSPPJYYEMTKEJ-JYAVWHMHSA-N 1 0 315.333 0.621 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001344414250 953479851 /nfs/dbraw/zinc/47/98/51/953479851.db2.gz MEVDEDKCEXCIBY-GFCCVEGCSA-N 1 0 322.365 0.754 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001346473751 953897759 /nfs/dbraw/zinc/89/77/59/953897759.db2.gz WAGWCHZWRAFKRS-ABAIWWIYSA-N 1 0 316.361 0.872 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001347386540 954083594 /nfs/dbraw/zinc/08/35/94/954083594.db2.gz YQRPSXRCRRARKF-SWLSCSKDSA-N 1 0 318.377 0.642 20 5 DCBDRO CC[NH+]1CCN(C2CN(C(=O)c3[nH]nc(C)c3[N+](=O)[O-])C2)CC1 ZINC001347431409 954090984 /nfs/dbraw/zinc/09/09/84/954090984.db2.gz AODSTVXIYXNSIR-UHFFFAOYSA-N 1 0 322.369 0.088 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001348747941 954453844 /nfs/dbraw/zinc/45/38/44/954453844.db2.gz PSOMZRMQRJEXSK-TUAOUCFPSA-N 1 0 320.349 0.213 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001349154430 954619483 /nfs/dbraw/zinc/61/94/83/954619483.db2.gz WNOOJQBSOZOQPB-LLVKDONJSA-N 1 0 322.365 0.747 20 5 DCBDRO C[C@@H]1CN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001356582870 956900299 /nfs/dbraw/zinc/90/02/99/956900299.db2.gz HHVTUAKVBGGSEY-IUODEOHRSA-N 1 0 309.366 0.939 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)N1CCNCC[NH2+]CC1 ZINC001358238132 957439762 /nfs/dbraw/zinc/43/97/62/957439762.db2.gz MLFIXDCTNHUMJH-UTCJRWHESA-N 1 0 304.350 0.629 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)C[C@]2(C)C1 ZINC001304214492 960085107 /nfs/dbraw/zinc/08/51/07/960085107.db2.gz UISBXPLIUOQTGF-OTYXRUKQSA-N 1 0 305.338 0.596 20 5 DCBDRO COc1c(C)[nH]cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1=O ZINC001307978747 960165274 /nfs/dbraw/zinc/16/52/74/960165274.db2.gz SWFWCZAFBGOYMK-UHFFFAOYSA-N 1 0 321.337 0.929 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001310991742 960239573 /nfs/dbraw/zinc/23/95/73/960239573.db2.gz DYYUNSHTLFNEAE-UHFFFAOYSA-N 1 0 311.342 0.565 20 5 DCBDRO CN1CC[C@@H]([NH+]2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)C1=O ZINC001472810853 1016856098 /nfs/dbraw/zinc/85/60/98/1016856098.db2.gz AMYKXRGAVPGAGN-GFCCVEGCSA-N 1 0 320.353 0.492 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001473892989 1016986439 /nfs/dbraw/zinc/98/64/39/1016986439.db2.gz MSVTYSVNFNKHDC-UMVBOHGHSA-N 1 0 310.350 0.551 20 5 DCBDRO Nc1ccc(NC(=O)NCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001476863864 1017227205 /nfs/dbraw/zinc/22/72/05/1017227205.db2.gz YTKHNYDOPRFMDW-UHFFFAOYSA-N 1 0 323.353 0.755 20 5 DCBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558552278 1012364650 /nfs/dbraw/zinc/36/46/50/1012364650.db2.gz WLVASSFTHUZGGQ-SMDDNHRTSA-N 1 0 321.333 0.218 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@]23CCOC3)c1 ZINC001560232853 1012444392 /nfs/dbraw/zinc/44/43/92/1012444392.db2.gz JTPHQIMQPOSTMP-ZIAGYGMSSA-N 1 0 310.354 0.797 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCCOCC[NH+](C)C ZINC001562587718 1012493714 /nfs/dbraw/zinc/49/37/14/1012493714.db2.gz NSNSDVSNVHLOHW-UHFFFAOYSA-N 1 0 311.342 0.420 20 5 DCBDRO Cc1nccnc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001479770733 1017729953 /nfs/dbraw/zinc/72/99/53/1017729953.db2.gz QCHHLQISRGQRTI-DGCLKSJQSA-N 1 0 307.354 0.388 20 5 DCBDRO COC(=O)NCC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001493486033 1019456448 /nfs/dbraw/zinc/45/64/48/1019456448.db2.gz FBBGPODTYUNUFC-UHFFFAOYSA-N 1 0 324.337 0.499 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000267094767 282091240 /nfs/dbraw/zinc/09/12/40/282091240.db2.gz JIVKWCZYODJWMH-UHFFFAOYSA-N 1 0 309.322 1.000 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000318369855 231169148 /nfs/dbraw/zinc/16/91/48/231169148.db2.gz IGEKANKABGISLF-RYUDHWBXSA-N 1 0 305.338 0.929 20 5 DCBDRO COC(=O)[C@@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552371 185302912 /nfs/dbraw/zinc/30/29/12/185302912.db2.gz VQOIQCWUYLVJBI-AWEZNQCLSA-N 1 0 309.322 0.642 20 5 DCBDRO COC[C@@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279634328 215020462 /nfs/dbraw/zinc/02/04/62/215020462.db2.gz CGQOAKURGKOHIP-CMPLNLGQSA-N 1 0 311.338 0.909 20 5 DCBDRO COC[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000174105445 198292174 /nfs/dbraw/zinc/29/21/74/198292174.db2.gz KGSRYHWWXVHHET-JTQLQIEISA-N 1 0 317.367 0.498 20 5 DCBDRO C[C@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1cccc([N+](=O)[O-])c1 ZINC000180415765 199156849 /nfs/dbraw/zinc/15/68/49/199156849.db2.gz XIVRNWCRPXRXJI-JTQLQIEISA-N 1 0 318.333 0.843 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000173525447 237160992 /nfs/dbraw/zinc/16/09/92/237160992.db2.gz CXUSNFZFFMWROX-FZMZJTMJSA-N 1 0 310.354 0.653 20 5 DCBDRO [NH3+][C@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000158367997 283625456 /nfs/dbraw/zinc/62/54/56/283625456.db2.gz ZRXZFSZRNARBRY-VIFPVBQESA-N 1 0 316.317 1.000 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000566122648 291272424 /nfs/dbraw/zinc/27/24/24/291272424.db2.gz QSBBYJZEQUYBAP-LLVKDONJSA-N 1 0 307.310 0.807 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566250719 291288976 /nfs/dbraw/zinc/28/89/76/291288976.db2.gz CYXQWQDYEWYMKQ-RYUDHWBXSA-N 1 0 307.354 0.639 20 5 DCBDRO Cc1c(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000566728038 291319938 /nfs/dbraw/zinc/31/99/38/291319938.db2.gz GPUHGERYYRDADO-CYBMUJFWSA-N 1 0 321.381 0.688 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000420437995 240028825 /nfs/dbraw/zinc/02/88/25/240028825.db2.gz QQVXNRMXZNIELJ-MFKMUULPSA-N 1 0 313.379 0.746 20 5 DCBDRO Cc1nn(CCC(=O)N(C)[C@H](C[NH3+])C2CC2)c(C)c1[N+](=O)[O-] ZINC000423957204 240249786 /nfs/dbraw/zinc/24/97/86/240249786.db2.gz ULIOMTOWHPTRMH-GFCCVEGCSA-N 1 0 309.370 0.994 20 5 DCBDRO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567166181 291340428 /nfs/dbraw/zinc/34/04/28/291340428.db2.gz RADROAYUOCTQCJ-NXEZZACHSA-N 1 0 314.367 0.786 20 5 DCBDRO [NH3+]CCCn1cc(C(=O)NCc2ccccc2[N+](=O)[O-])nn1 ZINC000567665825 291367222 /nfs/dbraw/zinc/36/72/22/291367222.db2.gz WGQJSYVTKJNCIP-UHFFFAOYSA-N 1 0 304.310 0.465 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000567873548 291386561 /nfs/dbraw/zinc/38/65/61/291386561.db2.gz YGNYCFOIMPWJGO-KFWWJZLASA-N 1 0 324.381 0.539 20 5 DCBDRO C[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000265049718 204365199 /nfs/dbraw/zinc/36/51/99/204365199.db2.gz BGIGAWGJBDYTNI-NSHDSACASA-N 1 0 321.381 0.543 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000265065936 204375290 /nfs/dbraw/zinc/37/52/90/204375290.db2.gz UNYLCEIRWHOORY-LBPRGKRZSA-N 1 0 317.367 0.774 20 5 DCBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000288509255 220188266 /nfs/dbraw/zinc/18/82/66/220188266.db2.gz SPRSBUPQIFHYCA-NWDGAFQWSA-N 1 0 307.354 0.877 20 5 DCBDRO CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000573846216 291658647 /nfs/dbraw/zinc/65/86/47/291658647.db2.gz AMDCSHZFDYOCRW-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000042592793 183289748 /nfs/dbraw/zinc/28/97/48/183289748.db2.gz GENVJBHALFFMPM-UHFFFAOYSA-N 1 0 306.366 0.962 20 5 DCBDRO O=C1[C@H](N2C[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000359273948 285001490 /nfs/dbraw/zinc/00/14/90/285001490.db2.gz JWQIZNVWJVDDIL-SLEUVZQESA-N 1 0 316.361 0.851 20 5 DCBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814506 253149708 /nfs/dbraw/zinc/14/97/08/253149708.db2.gz RXEGOVAAUZZFOV-KBPBESRZSA-N 1 0 312.370 0.899 20 5 DCBDRO C[NH+]1CCC(Nc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000272902693 210290761 /nfs/dbraw/zinc/29/07/61/210290761.db2.gz MJLHRQBJFVZDIC-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000346079712 254007071 /nfs/dbraw/zinc/00/70/71/254007071.db2.gz QTCSIYPMJCNUCU-SNVBAGLBSA-N 1 0 308.338 0.965 20 5 DCBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000351533751 254344186 /nfs/dbraw/zinc/34/41/86/254344186.db2.gz IVYXLUUYRJEEHT-GFCCVEGCSA-N 1 0 318.333 0.352 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351582237 254349346 /nfs/dbraw/zinc/34/93/46/254349346.db2.gz XRWKSGQBLMJKSX-LBPRGKRZSA-N 1 0 320.349 0.421 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000351827777 254372740 /nfs/dbraw/zinc/37/27/40/254372740.db2.gz QTJJTMDPBFNFJK-CABZTGNLSA-N 1 0 309.370 0.994 20 5 DCBDRO Cc1n[nH]c(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000331032229 533668855 /nfs/dbraw/zinc/66/88/55/533668855.db2.gz HMPIBMHEJSNGBZ-JTQLQIEISA-N 1 0 324.385 0.382 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000284532046 131089528 /nfs/dbraw/zinc/08/95/28/131089528.db2.gz WTNIPQRDHVQYDY-ZDUSSCGKSA-N 1 0 314.317 0.359 20 5 DCBDRO Nc1c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000289330501 131375054 /nfs/dbraw/zinc/37/50/54/131375054.db2.gz VOBXDABWIKXFTQ-NSHDSACASA-N 1 0 319.365 0.297 20 5 DCBDRO CCc1nn(C)c(N[C@@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000094156681 395739991 /nfs/dbraw/zinc/73/99/91/395739991.db2.gz HUKVZXNNAJHWQP-NSHDSACASA-N 1 0 310.402 0.939 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC000270931658 395823896 /nfs/dbraw/zinc/82/38/96/395823896.db2.gz QCSKZGPILHVNRE-UHFFFAOYSA-N 1 0 308.338 0.309 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000050244128 395838008 /nfs/dbraw/zinc/83/80/08/395838008.db2.gz DXYFKMQNSCMKAH-QMMMGPOBSA-N 1 0 300.340 0.040 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000271191080 395845941 /nfs/dbraw/zinc/84/59/41/395845941.db2.gz SEFZWLUNPZXLHF-SNVBAGLBSA-N 1 0 308.342 0.357 20 5 DCBDRO NC(=O)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000194361451 395794940 /nfs/dbraw/zinc/79/49/40/395794940.db2.gz DBSNKWVLDPVUKH-GFCCVEGCSA-N 1 0 323.349 0.532 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCN(C)CC1 ZINC000127211674 395914764 /nfs/dbraw/zinc/91/47/64/395914764.db2.gz ABVOJEDZNYWQMO-UHFFFAOYSA-N 1 0 306.322 0.616 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272350465 395885525 /nfs/dbraw/zinc/88/55/25/395885525.db2.gz AUVNHRWFZYNIDK-LLVKDONJSA-N 1 0 321.381 0.543 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+](C)C ZINC000136435864 395947000 /nfs/dbraw/zinc/94/70/00/395947000.db2.gz HNHUWQCEEVVERK-UHFFFAOYSA-N 1 0 301.368 0.997 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000276475351 396000679 /nfs/dbraw/zinc/00/06/79/396000679.db2.gz FCKFEXOLEHCMAU-SNVBAGLBSA-N 1 0 308.338 0.628 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000151323044 395983449 /nfs/dbraw/zinc/98/34/49/395983449.db2.gz KHPYNHOYUWJOQD-GHMZBOCLSA-N 1 0 322.369 0.716 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000248659292 395993276 /nfs/dbraw/zinc/99/32/76/395993276.db2.gz CMMOSDAVJQTRIK-MNOVXSKESA-N 1 0 322.365 0.585 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000261657004 396053090 /nfs/dbraw/zinc/05/30/90/396053090.db2.gz KDLNUWVPQKCSCH-MNOVXSKESA-N 1 0 311.363 0.967 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000261657009 396053465 /nfs/dbraw/zinc/05/34/65/396053465.db2.gz KDLNUWVPQKCSCH-WDEREUQCSA-N 1 0 311.363 0.967 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000261741575 396061700 /nfs/dbraw/zinc/06/17/00/396061700.db2.gz MOBRQFYGNIONRF-SECBINFHSA-N 1 0 304.310 0.513 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000262044346 396093284 /nfs/dbraw/zinc/09/32/84/396093284.db2.gz CGLSZYYKJHHUTA-ZDUSSCGKSA-N 1 0 308.338 0.941 20 5 DCBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)CN1CCOCC1 ZINC000176824071 396161558 /nfs/dbraw/zinc/16/15/58/396161558.db2.gz AKJZRLLGVWVQPI-NSHDSACASA-N 1 0 322.365 0.875 20 5 DCBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000177297563 396171250 /nfs/dbraw/zinc/17/12/50/396171250.db2.gz IMGVHUFSQDVTTN-LBPRGKRZSA-N 1 0 309.370 0.885 20 5 DCBDRO COc1cc(CCNC(=O)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000178349090 396194122 /nfs/dbraw/zinc/19/41/22/396194122.db2.gz ZHWDRWDKZOPNLM-NSHDSACASA-N 1 0 323.349 0.880 20 5 DCBDRO Cc1cnc(N2CCN(C(=O)C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000078629323 396249976 /nfs/dbraw/zinc/24/99/76/396249976.db2.gz ZEOXUKOVPIWLFW-UHFFFAOYSA-N 1 0 307.354 0.508 20 5 DCBDRO CC[N@@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000264425615 396279037 /nfs/dbraw/zinc/27/90/37/396279037.db2.gz AFSPSIWKTGDOMQ-LLVKDONJSA-N 1 0 308.338 0.215 20 5 DCBDRO CC[NH+](CC)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000263704864 396225172 /nfs/dbraw/zinc/22/51/72/396225172.db2.gz PHQWXQZHYRRHAN-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000080882646 396287565 /nfs/dbraw/zinc/28/75/65/396287565.db2.gz LIYPXMNQTKZRLE-UHFFFAOYSA-N 1 0 323.349 0.547 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264544547 396288843 /nfs/dbraw/zinc/28/88/43/396288843.db2.gz BHYITQVFCKZWPR-LBPRGKRZSA-N 1 0 307.354 0.878 20 5 DCBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000184335923 396291177 /nfs/dbraw/zinc/29/11/77/396291177.db2.gz AMLRFHYYDRMOPN-UHFFFAOYSA-N 1 0 317.367 0.187 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000264609708 396295508 /nfs/dbraw/zinc/29/55/08/396295508.db2.gz ZGGDZPNXSXFXCT-ZDUSSCGKSA-N 1 0 307.350 0.974 20 5 DCBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000265287778 396305613 /nfs/dbraw/zinc/30/56/13/396305613.db2.gz JYWMVEFTZNYYPL-GFCCVEGCSA-N 1 0 309.370 0.982 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@](C)([NH3+])COC)c1[N+](=O)[O-] ZINC000265597732 396329104 /nfs/dbraw/zinc/32/91/04/396329104.db2.gz RBNVPMHWFDPTIZ-ZDUSSCGKSA-N 1 0 312.326 0.942 20 5 DCBDRO COc1ccc(OCC[N@H+](C)[C@@H]2COC[C@H]2O)c([N+](=O)[O-])c1 ZINC000285908562 396361419 /nfs/dbraw/zinc/36/14/19/396361419.db2.gz KRNSERRIQRRCBP-CHWSQXEVSA-N 1 0 312.322 0.674 20 5 DCBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000285963660 396365927 /nfs/dbraw/zinc/36/59/27/396365927.db2.gz GZSJZSOMMBRIKU-RULNRJAQSA-N 1 0 308.338 0.259 20 5 DCBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C[C@H](C)O ZINC000286105725 396375386 /nfs/dbraw/zinc/37/53/86/396375386.db2.gz NJYQTQYHYNANNT-UWVGGRQHSA-N 1 0 311.342 0.235 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000269163638 396390873 /nfs/dbraw/zinc/39/08/73/396390873.db2.gz CBPFGIQYZSBHMA-JQWIXIFHSA-N 1 0 309.370 0.994 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc([N+](=O)[O-])c1 ZINC000269248091 396399658 /nfs/dbraw/zinc/39/96/58/396399658.db2.gz SEPITGPGAUYSEU-WDEREUQCSA-N 1 0 309.278 0.043 20 5 DCBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])C1 ZINC000191879511 396426395 /nfs/dbraw/zinc/42/63/95/396426395.db2.gz JBWMCRJETSJEMY-CMPLNLGQSA-N 1 0 308.338 0.500 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372361606 396511127 /nfs/dbraw/zinc/51/11/27/396511127.db2.gz RJWNHDZUUYUWCJ-OAHLLOKOSA-N 1 0 318.377 0.643 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000581754028 396581222 /nfs/dbraw/zinc/58/12/22/396581222.db2.gz WZKWEIOIAXYJIL-STQMWFEESA-N 1 0 308.338 0.140 20 5 DCBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372956098 396556231 /nfs/dbraw/zinc/55/62/31/396556231.db2.gz OOPWZRGBZXJSJN-NWDGAFQWSA-N 1 0 321.333 0.893 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000581476566 396557612 /nfs/dbraw/zinc/55/76/12/396557612.db2.gz VMFLYSMYZIMHOA-UHFFFAOYSA-N 1 0 308.294 0.020 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000581559206 396565185 /nfs/dbraw/zinc/56/51/85/396565185.db2.gz QGSUHABHJLZYRO-VHSXEESVSA-N 1 0 316.321 0.219 20 5 DCBDRO Cc1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000581677568 396575101 /nfs/dbraw/zinc/57/51/01/396575101.db2.gz GHCKQIATFUFCPG-CHWSQXEVSA-N 1 0 318.333 0.287 20 5 DCBDRO CO[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000584716158 396617091 /nfs/dbraw/zinc/61/70/91/396617091.db2.gz FWXQNFGRGRINQE-STQMWFEESA-N 1 0 300.359 0.803 20 5 DCBDRO CC[N@@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000595535962 396626636 /nfs/dbraw/zinc/62/66/36/396626636.db2.gz KOYVWXNRLVAFNE-JSGCOSHPSA-N 1 0 311.386 0.568 20 5 DCBDRO CC[N@@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000595535963 396627010 /nfs/dbraw/zinc/62/70/10/396627010.db2.gz KOYVWXNRLVAFNE-OCCSQVGLSA-N 1 0 311.386 0.568 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374632968 396677896 /nfs/dbraw/zinc/67/78/96/396677896.db2.gz WBULOZYDLJYLGS-TUAOUCFPSA-N 1 0 307.354 0.686 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000588870388 396697024 /nfs/dbraw/zinc/69/70/24/396697024.db2.gz ZBNWYAQXNJJRTN-GFCCVEGCSA-N 1 0 323.349 0.547 20 5 DCBDRO Cc1noc(CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)c1[N+](=O)[O-] ZINC000596071859 396714591 /nfs/dbraw/zinc/71/45/91/396714591.db2.gz UEQDAMKLLFNNKX-LBPRGKRZSA-N 1 0 309.282 0.065 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)C1 ZINC000596129563 396721984 /nfs/dbraw/zinc/72/19/84/396721984.db2.gz SEVVIOPJSQTUAY-LBPRGKRZSA-N 1 0 320.397 0.788 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596129946 396722469 /nfs/dbraw/zinc/72/24/69/396722469.db2.gz SWVLLVXSDJKWSV-HNNXBMFYSA-N 1 0 320.349 0.964 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C(F)F)c1 ZINC000563887326 396789550 /nfs/dbraw/zinc/78/95/50/396789550.db2.gz GFLZHQDFIADULS-KOLCDFICSA-N 1 0 306.265 0.550 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000315896880 396791408 /nfs/dbraw/zinc/79/14/08/396791408.db2.gz LVGSAAHDARLMBL-UHFFFAOYSA-N 1 0 307.354 0.964 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000563449791 396738328 /nfs/dbraw/zinc/73/83/28/396738328.db2.gz RGQXSVZYAJRWES-VIFPVBQESA-N 1 0 322.321 0.410 20 5 DCBDRO C[NH+](C)CC1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000596247602 396743620 /nfs/dbraw/zinc/74/36/20/396743620.db2.gz RSOMSDQPDILSKM-UHFFFAOYSA-N 1 0 314.367 0.240 20 5 DCBDRO COc1ccc(OCC[NH2+][C@@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000563707023 396770573 /nfs/dbraw/zinc/77/05/73/396770573.db2.gz LIIORKLJHRHFEY-BXUZGUMPSA-N 1 0 312.322 0.986 20 5 DCBDRO CN1CC[NH+](CC2CN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000590400396 396771721 /nfs/dbraw/zinc/77/17/21/396771721.db2.gz UQTHYQILPFRXES-UHFFFAOYSA-N 1 0 318.377 0.914 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000564854917 396884299 /nfs/dbraw/zinc/88/42/99/396884299.db2.gz QCJYOAPSEQPCFG-WDEREUQCSA-N 1 0 311.338 0.401 20 5 DCBDRO COc1cc(CNC[C@H]2COCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000600677046 396914461 /nfs/dbraw/zinc/91/44/61/396914461.db2.gz AOZZKRSTUUUQTI-NSHDSACASA-N 1 0 311.338 0.690 20 5 DCBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343319607 396995440 /nfs/dbraw/zinc/99/54/40/396995440.db2.gz KTNQQXYHWZOJTP-LLVKDONJSA-N 1 0 310.354 0.603 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1C ZINC000601345259 397069756 /nfs/dbraw/zinc/06/97/56/397069756.db2.gz AIOCSJIUXDQKQO-QWRGUYRKSA-N 1 0 311.363 0.946 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](N2CCOCC2)C1 ZINC000597708594 397071022 /nfs/dbraw/zinc/07/10/22/397071022.db2.gz CDYYXWMFFBHZPV-LBPRGKRZSA-N 1 0 322.365 0.870 20 5 DCBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000597716985 397073582 /nfs/dbraw/zinc/07/35/82/397073582.db2.gz VHGSTOUONDIYMA-CYBMUJFWSA-N 1 0 308.342 0.131 20 5 DCBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000377511364 397091576 /nfs/dbraw/zinc/09/15/76/397091576.db2.gz JJPSFTVWJGZJMU-KOLCDFICSA-N 1 0 322.321 0.288 20 5 DCBDRO C[C@H](CCO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612576087 397098844 /nfs/dbraw/zinc/09/88/44/397098844.db2.gz AMTJSZLSWSRLPZ-SNVBAGLBSA-N 1 0 302.352 0.729 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592371031 397162586 /nfs/dbraw/zinc/16/25/86/397162586.db2.gz BBYBEQYALVWHJS-IUCAKERBSA-N 1 0 300.340 0.348 20 5 DCBDRO [NH3+]C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000592429205 397174209 /nfs/dbraw/zinc/17/42/09/397174209.db2.gz BYBPOIGMYCCNIW-LLVKDONJSA-N 1 0 309.322 0.526 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)COc1cccc([N+](=O)[O-])c1 ZINC000592469385 397184670 /nfs/dbraw/zinc/18/46/70/397184670.db2.gz MLUARCIJOUKHED-UHFFFAOYSA-N 1 0 322.365 0.337 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592475183 397187225 /nfs/dbraw/zinc/18/72/25/397187225.db2.gz ZVNFXNMZTSICNH-MJVIPROJSA-N 1 0 322.365 0.970 20 5 DCBDRO Cc1nccn1CCCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000573795045 397204879 /nfs/dbraw/zinc/20/48/79/397204879.db2.gz JWOWGXUMWMWLJC-CQSZACIVSA-N 1 0 322.369 0.727 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000598666422 397271311 /nfs/dbraw/zinc/27/13/11/397271311.db2.gz YNMVVSNSDMNYNC-PJXYFTJBSA-N 1 0 319.321 0.050 20 5 DCBDRO [NH3+]CC[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383563437 397278287 /nfs/dbraw/zinc/27/82/87/397278287.db2.gz UMEPNAGLGXBHKK-SECBINFHSA-N 1 0 309.294 0.856 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000389944866 397299104 /nfs/dbraw/zinc/29/91/04/397299104.db2.gz YQHAEHGJHSRZKQ-JTQLQIEISA-N 1 0 315.351 0.252 20 5 DCBDRO C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000602100507 397300601 /nfs/dbraw/zinc/30/06/01/397300601.db2.gz BWBTUHDLYUPHCH-MNOVXSKESA-N 1 0 307.354 0.953 20 5 DCBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2CC[C@H](O)C2)n1 ZINC000599092995 397334465 /nfs/dbraw/zinc/33/44/65/397334465.db2.gz LPPVLBJDGXXRKS-MJBXVCDLSA-N 1 0 323.397 0.931 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000578453811 397438828 /nfs/dbraw/zinc/43/88/28/397438828.db2.gz GUNDLTKVJWMVGV-NWDGAFQWSA-N 1 0 322.296 0.118 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000578453810 397438931 /nfs/dbraw/zinc/43/89/31/397438931.db2.gz GUNDLTKVJWMVGV-NEPJUHHUSA-N 1 0 322.296 0.118 20 5 DCBDRO O=C(CC[NH+]1C[C@@H](CO)[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000599531310 397466053 /nfs/dbraw/zinc/46/60/53/397466053.db2.gz RMPRZLILDDNMLZ-RYUDHWBXSA-N 1 0 323.349 0.456 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599605505 397485994 /nfs/dbraw/zinc/48/59/94/397485994.db2.gz YQEWSQUZWLNMSY-SECBINFHSA-N 1 0 310.310 0.713 20 5 DCBDRO C[NH2+][C@@H](C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594433230 397548737 /nfs/dbraw/zinc/54/87/37/397548737.db2.gz MNNUZJYUESQKQD-NSHDSACASA-N 1 0 320.349 0.487 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)COc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000599988618 397558135 /nfs/dbraw/zinc/55/81/35/397558135.db2.gz KAKIRVJLPNOPTD-NHAGDIPZSA-N 1 0 305.334 0.992 20 5 DCBDRO CC[C@H](C[C@@H](C)CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579474677 397573169 /nfs/dbraw/zinc/57/31/69/397573169.db2.gz IRQLGLHSLVFYDQ-NQBHXWOUSA-N 1 0 300.359 0.539 20 5 DCBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000599920434 397540733 /nfs/dbraw/zinc/54/07/33/397540733.db2.gz JVAABVKBGBUAJU-GFCCVEGCSA-N 1 0 310.358 0.431 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000579815765 397593475 /nfs/dbraw/zinc/59/34/75/397593475.db2.gz FFBRHNLXZZFXBJ-SNVBAGLBSA-N 1 0 308.342 0.169 20 5 DCBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000609571766 397782694 /nfs/dbraw/zinc/78/26/94/397782694.db2.gz IQRVHORJQOTJMU-LLVKDONJSA-N 1 0 321.381 0.821 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000070447567 158047617 /nfs/dbraw/zinc/04/76/17/158047617.db2.gz OFTDWVMXBLJKHA-SNVBAGLBSA-N 1 0 317.367 0.865 20 5 DCBDRO CO[C@@H](C[NH3+])CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000261924620 158754633 /nfs/dbraw/zinc/75/46/33/158754633.db2.gz SCZPNXAYMOZKLX-CQSZACIVSA-N 1 0 322.365 0.607 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000359278605 159261226 /nfs/dbraw/zinc/26/12/26/159261226.db2.gz SGHCWQGTJLJFQS-YUMQZZPRSA-N 1 0 303.365 0.496 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000153225784 287048442 /nfs/dbraw/zinc/04/84/42/287048442.db2.gz FTOFSOUASHXXIH-CQSZACIVSA-N 1 0 313.329 0.705 20 5 DCBDRO Cc1c(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000262059301 287127899 /nfs/dbraw/zinc/12/78/99/287127899.db2.gz DULDDMSQWMRJSD-ZDUSSCGKSA-N 1 0 308.338 0.941 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000356286571 287200647 /nfs/dbraw/zinc/20/06/47/287200647.db2.gz XGGJZIFVUMYURA-CQSZACIVSA-N 1 0 307.354 0.886 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000419044998 287263818 /nfs/dbraw/zinc/26/38/18/287263818.db2.gz VHBROULNAOPOSV-LBPRGKRZSA-N 1 0 320.349 0.074 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419150618 287270008 /nfs/dbraw/zinc/27/00/08/287270008.db2.gz MPRYUUQGMRRSTF-SNVBAGLBSA-N 1 0 308.338 0.498 20 5 DCBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[C@H]1CCC[NH2+]1 ZINC000420240035 287284374 /nfs/dbraw/zinc/28/43/74/287284374.db2.gz QCULSKVSODGYBT-SECBINFHSA-N 1 0 314.367 0.796 20 5 DCBDRO COCC[N@@H+]1CCCN(C(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC000331652848 415170380 /nfs/dbraw/zinc/17/03/80/415170380.db2.gz PACAGNFCJGYOBJ-UHFFFAOYSA-N 1 0 311.342 0.123 20 5 DCBDRO C[C@@H](C[NH3+])CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420413946 287296586 /nfs/dbraw/zinc/29/65/86/287296586.db2.gz DGIUZBXZOGUPJG-JTQLQIEISA-N 1 0 301.368 0.652 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000332099955 415244106 /nfs/dbraw/zinc/24/41/06/415244106.db2.gz CSBABYXVTMINPY-GFCCVEGCSA-N 1 0 321.381 0.775 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000274595063 415355626 /nfs/dbraw/zinc/35/56/26/415355626.db2.gz VWRMSAPPHDPZGA-UHFFFAOYSA-N 1 0 313.358 0.485 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000273044723 415301974 /nfs/dbraw/zinc/30/19/74/415301974.db2.gz PUCUWUSLPNNZLO-MNOVXSKESA-N 1 0 320.349 0.439 20 5 DCBDRO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@H]1C ZINC000343066957 415431999 /nfs/dbraw/zinc/43/19/99/415431999.db2.gz JJQMFCIGMRRLEM-GHMZBOCLSA-N 1 0 310.358 0.565 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](C)CO)cc1[N+](=O)[O-] ZINC000353762356 415649841 /nfs/dbraw/zinc/64/98/41/415649841.db2.gz FWDLHRPOSWQWEV-JTQLQIEISA-N 1 0 312.322 0.865 20 5 DCBDRO O=C([C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000287359494 415660222 /nfs/dbraw/zinc/66/02/22/415660222.db2.gz LUHDHJZBRJWSGC-GFCCVEGCSA-N 1 0 307.354 0.736 20 5 DCBDRO Cn1c(C(=O)N2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000353935460 415696539 /nfs/dbraw/zinc/69/65/39/415696539.db2.gz ZSGZMWXQZWUTDZ-UHFFFAOYSA-N 1 0 322.365 0.870 20 5 DCBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000354009372 415716641 /nfs/dbraw/zinc/71/66/41/415716641.db2.gz VFVXGWGDIGQBOZ-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO CCOC[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122267196 415829793 /nfs/dbraw/zinc/82/97/93/415829793.db2.gz FMPJSDJCFHMIDB-WCQYABFASA-N 1 0 310.354 0.873 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000152880059 415972033 /nfs/dbraw/zinc/97/20/33/415972033.db2.gz NZQJGSPMBYSMKF-AWEZNQCLSA-N 1 0 311.338 0.646 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299147179 416055139 /nfs/dbraw/zinc/05/51/39/416055139.db2.gz WOEFGOCWLQIHCT-QWHCGFSZSA-N 1 0 307.354 0.924 20 5 DCBDRO C[N@@H+]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000299411769 416060922 /nfs/dbraw/zinc/06/09/22/416060922.db2.gz QRNZNAOZXYKRKI-AWEZNQCLSA-N 1 0 309.366 0.972 20 5 DCBDRO C[C@H](C[NH+](C)C)NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000344905745 416006171 /nfs/dbraw/zinc/00/61/71/416006171.db2.gz SEPXGHSPKWXCIM-SNVBAGLBSA-N 1 0 301.368 0.964 20 5 DCBDRO CN(C1C[NH2+]C1)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000357466660 416085378 /nfs/dbraw/zinc/08/53/78/416085378.db2.gz JSKYUODKQCVKFF-UHFFFAOYSA-N 1 0 305.743 0.841 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)C2C[NH2+]C2)ccc1[N+](=O)[O-] ZINC000357488808 416088220 /nfs/dbraw/zinc/08/82/20/416088220.db2.gz SMDHJQAZTZDEEX-UHFFFAOYSA-N 1 0 301.324 0.196 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000357714374 416120033 /nfs/dbraw/zinc/12/00/33/416120033.db2.gz GYVMQOUGMUEUHT-RKDXNWHRSA-N 1 0 317.392 0.886 20 5 DCBDRO Cn1c(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccc1[N+](=O)[O-] ZINC000338647583 416121370 /nfs/dbraw/zinc/12/13/70/416121370.db2.gz SDWBSTLEHHJZQX-UHFFFAOYSA-N 1 0 306.326 0.944 20 5 DCBDRO CCCc1n[nH]c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358046983 416176529 /nfs/dbraw/zinc/17/65/29/416176529.db2.gz LFIIZOQNLSPIAR-ZDUSSCGKSA-N 1 0 311.342 0.067 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000358058010 416181674 /nfs/dbraw/zinc/18/16/74/416181674.db2.gz PXNHHPKYRWXBCY-CQSZACIVSA-N 1 0 308.338 0.190 20 5 DCBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@@H](C[NH3+])C1 ZINC000358133500 416199064 /nfs/dbraw/zinc/19/90/64/416199064.db2.gz YSVXTFQAXDPLOZ-GWCFXTLKSA-N 1 0 308.338 0.581 20 5 DCBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000330678033 416228594 /nfs/dbraw/zinc/22/85/94/416228594.db2.gz BXFNGARDHVRUGA-GHMZBOCLSA-N 1 0 310.354 0.840 20 5 DCBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C[C@@H](C)O ZINC000330678034 416228729 /nfs/dbraw/zinc/22/87/29/416228729.db2.gz BXFNGARDHVRUGA-MNOVXSKESA-N 1 0 310.354 0.840 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000193365424 416315711 /nfs/dbraw/zinc/31/57/11/416315711.db2.gz QCANXZCIOFMVAT-UHFFFAOYSA-N 1 0 317.367 0.250 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000248181381 416333107 /nfs/dbraw/zinc/33/31/07/416333107.db2.gz WLRGEELJDFRJAW-YUELXQCFSA-N 1 0 324.381 0.779 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000415542161 416346903 /nfs/dbraw/zinc/34/69/03/416346903.db2.gz UAHUDHDEMCIIDC-LLVKDONJSA-N 1 0 306.322 0.695 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000415554117 416347342 /nfs/dbraw/zinc/34/73/42/416347342.db2.gz CPDNUOXWDMKDRI-UHFFFAOYSA-N 1 0 306.322 0.839 20 5 DCBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415680960 416351013 /nfs/dbraw/zinc/35/10/13/416351013.db2.gz QQXNAXSERBANPK-QPUJVOFHSA-N 1 0 324.312 0.929 20 5 DCBDRO C[C@@H]1CN(CC[N@H+](C)CCn2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000195325237 416326248 /nfs/dbraw/zinc/32/62/48/416326248.db2.gz GUWUAXHOCXXIGK-BETUJISGSA-N 1 0 311.386 0.832 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000420268234 416417984 /nfs/dbraw/zinc/41/79/84/416417984.db2.gz HQVJRDJKTFVAQP-JTQLQIEISA-N 1 0 302.338 0.854 20 5 DCBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590574376 416529646 /nfs/dbraw/zinc/52/96/46/416529646.db2.gz IMRZNDCHXWBNJU-LBPRGKRZSA-N 1 0 322.413 1.258 20 5 DCBDRO COC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCC1 ZINC000459395862 416538260 /nfs/dbraw/zinc/53/82/60/416538260.db2.gz ZYVARVPHEASWAL-UHFFFAOYSA-N 1 0 309.322 0.832 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423682882 416541125 /nfs/dbraw/zinc/54/11/25/416541125.db2.gz PNONAUWRLXPTFG-NSHDSACASA-N 1 0 308.338 0.487 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423469261 416515137 /nfs/dbraw/zinc/51/51/37/416515137.db2.gz YVCVKPZOXWNLAZ-LLVKDONJSA-N 1 0 322.365 0.756 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000366448460 416624792 /nfs/dbraw/zinc/62/47/92/416624792.db2.gz VBMQHXKFAHDCRH-RZFFKMDDSA-N 1 0 308.334 0.505 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366432669 416625213 /nfs/dbraw/zinc/62/52/13/416625213.db2.gz HFMWZCXPKCATMH-NDBYEHHHSA-N 1 0 308.334 0.505 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)C[C@H]2[NH3+])cn1 ZINC000424226874 416629763 /nfs/dbraw/zinc/62/97/63/416629763.db2.gz PIRDFRWKCHEKOS-WDEREUQCSA-N 1 0 321.362 0.957 20 5 DCBDRO CC1CC[NH+](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000548058038 416684365 /nfs/dbraw/zinc/68/43/65/416684365.db2.gz GOJADVLBUMVFDB-UHFFFAOYSA-N 1 0 307.354 1.034 20 5 DCBDRO CC1CC[NH+](C[C@@H](O)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000443505980 416765050 /nfs/dbraw/zinc/76/50/50/416765050.db2.gz BFWVFLHEAYSOMB-JTQLQIEISA-N 1 0 300.384 1.556 20 5 DCBDRO C[C@@H]1CC(=O)NCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369441471 416777213 /nfs/dbraw/zinc/77/72/13/416777213.db2.gz ULFKYDQIHLIRFZ-YPMHNXCESA-N 1 0 323.349 0.545 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCOCC[NH+](C)C ZINC000427706844 416841094 /nfs/dbraw/zinc/84/10/94/416841094.db2.gz OEIKJMXBABLRTO-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429789335 416996050 /nfs/dbraw/zinc/99/60/50/416996050.db2.gz RTZLECUVCTTZMV-NEPJUHHUSA-N 1 0 320.349 0.698 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000394766373 417106641 /nfs/dbraw/zinc/10/66/41/417106641.db2.gz JFTAZLRYXSDOJM-ZDUSSCGKSA-N 1 0 301.350 1.459 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]([NH3+])CC ZINC000449611788 417157406 /nfs/dbraw/zinc/15/74/06/417157406.db2.gz YNGTWDCTADREKU-VHSXEESVSA-N 1 0 312.374 0.681 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCCO1 ZINC000449703843 417167027 /nfs/dbraw/zinc/16/70/27/417167027.db2.gz GSTCRANSAVCQRQ-CYBMUJFWSA-N 1 0 309.322 0.468 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+](CCO)[C@H]2CCCSC2)n1 ZINC000433180440 417238326 /nfs/dbraw/zinc/23/83/26/417238326.db2.gz JJUKWFBUAXEHCT-NSHDSACASA-N 1 0 300.384 0.981 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000433301481 417249527 /nfs/dbraw/zinc/24/95/27/417249527.db2.gz GGLWYIRUGWRRTH-CHWSQXEVSA-N 1 0 310.354 0.532 20 5 DCBDRO CC(C)([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000569459599 417254179 /nfs/dbraw/zinc/25/41/79/417254179.db2.gz YRFIQQPSOHMRNC-UHFFFAOYSA-N 1 0 322.369 0.559 20 5 DCBDRO O=C(C[C@H]1COCC[NH2+]1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000569474714 417258717 /nfs/dbraw/zinc/25/87/17/417258717.db2.gz WEOSZNGXBLWBNM-NSHDSACASA-N 1 0 309.322 0.468 20 5 DCBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H](O)C[NH3+] ZINC000415055595 417323534 /nfs/dbraw/zinc/32/35/34/417323534.db2.gz NJZOBUDHVKNUTE-SNVBAGLBSA-N 1 0 305.281 0.948 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 ZINC000570280851 417335286 /nfs/dbraw/zinc/33/52/86/417335286.db2.gz QIKYFTOTSYAMQM-QMMMGPOBSA-N 1 0 309.278 0.123 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000575377572 417531772 /nfs/dbraw/zinc/53/17/72/417531772.db2.gz WNXZKUDZSIDLFE-NSHDSACASA-N 1 0 310.285 0.787 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000575854508 417554183 /nfs/dbraw/zinc/55/41/83/417554183.db2.gz PMTZEUCUFFWJOO-UHFFFAOYSA-N 1 0 320.349 0.205 20 5 DCBDRO C[NH2+]C[C@@](C)(O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000575875202 417557746 /nfs/dbraw/zinc/55/77/46/417557746.db2.gz XTIBQLBRGZPWET-OAHLLOKOSA-N 1 0 308.382 0.687 20 5 DCBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000576053076 417575647 /nfs/dbraw/zinc/57/56/47/417575647.db2.gz AZGLCZZRCKRQFG-HONMWMINSA-N 1 0 304.350 0.900 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(NC)n1 ZINC000456034813 417622597 /nfs/dbraw/zinc/62/25/97/417622597.db2.gz AFGCBHJUIFXANG-UHFFFAOYSA-N 1 0 311.342 0.076 20 5 DCBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000532021084 417653358 /nfs/dbraw/zinc/65/33/58/417653358.db2.gz XSLIFSZMXCUZRS-GFCCVEGCSA-N 1 0 324.385 0.821 20 5 DCBDRO CNc1c(C(=O)NCC[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000456583987 417654480 /nfs/dbraw/zinc/65/44/80/417654480.db2.gz OIBAWSYMZRYKPN-UHFFFAOYSA-N 1 0 322.365 0.823 20 5 DCBDRO CC(C)Oc1nc(NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000577528955 417678021 /nfs/dbraw/zinc/67/80/21/417678021.db2.gz KZYAIATXZNOOBA-CQSZACIVSA-N 1 0 310.354 1.256 20 5 DCBDRO O=[N+]([O-])c1cnc2ccc(N3CCC([NH2+]CCO)CC3)nn21 ZINC000357477535 261546144 /nfs/dbraw/zinc/54/61/44/261546144.db2.gz NGRWEFHWSCXODE-UHFFFAOYSA-N 1 0 306.326 0.188 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000394076083 262162025 /nfs/dbraw/zinc/16/20/25/262162025.db2.gz PYGQTMXQGGVGHO-JTQLQIEISA-N 1 0 312.757 0.882 20 5 DCBDRO C[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000417905866 262264405 /nfs/dbraw/zinc/26/44/05/262264405.db2.gz DHRCNIXWOHRVHE-MNOVXSKESA-N 1 0 310.358 0.418 20 5 DCBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1[N+](=O)[O-] ZINC000417989510 262267279 /nfs/dbraw/zinc/26/72/79/262267279.db2.gz SWHJNXGCOYLZPR-RYUDHWBXSA-N 1 0 321.381 0.859 20 5 DCBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CC[NH2+]CC1 ZINC000418081771 262269363 /nfs/dbraw/zinc/26/93/63/262269363.db2.gz HGGDGWVFXYNPQX-UHFFFAOYSA-N 1 0 304.310 0.586 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418480417 262278863 /nfs/dbraw/zinc/27/88/63/262278863.db2.gz CKCZTKJKZGBWNO-LLVKDONJSA-N 1 0 322.369 0.416 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418775828 262288443 /nfs/dbraw/zinc/28/84/43/262288443.db2.gz FDVLPUKMKNCIKB-KOLCDFICSA-N 1 0 306.322 0.332 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418773396 262288810 /nfs/dbraw/zinc/28/88/10/262288810.db2.gz CFYKONJMGUPWNR-UWVGGRQHSA-N 1 0 308.338 0.496 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418780491 262289411 /nfs/dbraw/zinc/28/94/11/262289411.db2.gz KQJADPJTIWFSNJ-NXEZZACHSA-N 1 0 308.338 0.578 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418792233 262290106 /nfs/dbraw/zinc/29/01/06/262290106.db2.gz ZQBNVOLVMZGOJS-CMPLNLGQSA-N 1 0 320.349 0.722 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418918142 262298181 /nfs/dbraw/zinc/29/81/81/262298181.db2.gz CCMHROPABBDNET-GFCCVEGCSA-N 1 0 320.349 0.122 20 5 DCBDRO CC1(C)CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC[NH2+]1 ZINC000420287660 262369276 /nfs/dbraw/zinc/36/92/76/262369276.db2.gz XSROIFCPLMJKDY-UHFFFAOYSA-N 1 0 314.367 0.430 20 5 DCBDRO [NH3+][C@@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420400746 262373443 /nfs/dbraw/zinc/37/34/43/262373443.db2.gz FMYDWGVHVOGSTH-GFCCVEGCSA-N 1 0 313.379 0.890 20 5 DCBDRO COC[C@]1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000357260008 271046452 /nfs/dbraw/zinc/04/64/52/271046452.db2.gz QVVDHZMIEMJJCP-OAHLLOKOSA-N 1 0 323.349 0.858 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)C1CCOCC1 ZINC000359865985 271148322 /nfs/dbraw/zinc/14/83/22/271148322.db2.gz CFOSLYXYZIFYQZ-ZDUSSCGKSA-N 1 0 311.338 0.134 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000415434281 271238884 /nfs/dbraw/zinc/23/88/84/271238884.db2.gz HMTFXYTYCBGLFJ-NSHDSACASA-N 1 0 308.338 0.941 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000419269062 271280711 /nfs/dbraw/zinc/28/07/11/271280711.db2.gz LMHAASXOOXZFOG-ZYHUDNBSSA-N 1 0 320.349 0.640 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000419935277 271345160 /nfs/dbraw/zinc/34/51/60/271345160.db2.gz CHVWSLCXDSWEFU-LLVKDONJSA-N 1 0 322.365 0.307 20 5 DCBDRO C[C@H](CC[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430819 271368804 /nfs/dbraw/zinc/36/88/04/271368804.db2.gz WGKSTPIWIJVHCW-SNVBAGLBSA-N 1 0 301.368 0.794 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000420440693 271369992 /nfs/dbraw/zinc/36/99/92/271369992.db2.gz NMUHJTQAZBLUQK-HTQZYQBOSA-N 1 0 303.340 0.617 20 5 DCBDRO COC(=O)C[C@H]([NH3+])C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000422936840 271393446 /nfs/dbraw/zinc/39/34/46/271393446.db2.gz MZXQILSOZRXBNF-VIFPVBQESA-N 1 0 310.310 0.013 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@H](C)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000490055300 272069229 /nfs/dbraw/zinc/06/92/29/272069229.db2.gz OWEZAORPJNBQCG-VIFPVBQESA-N 1 0 319.387 0.287 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000493191753 272174689 /nfs/dbraw/zinc/17/46/89/272174689.db2.gz CKFRPFPWYCGUPQ-XQYKZARXSA-N 1 0 305.334 0.741 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000518942726 272493331 /nfs/dbraw/zinc/49/33/31/272493331.db2.gz IZVOCWSIFKFCFB-UHFFFAOYSA-N 1 0 322.365 0.369 20 5 DCBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CNCCO1 ZINC000423527500 274206320 /nfs/dbraw/zinc/20/63/20/274206320.db2.gz RMTKBEPNNRLVFH-SMDDNHRTSA-N 1 0 322.365 0.890 20 5 DCBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000282342956 276135924 /nfs/dbraw/zinc/13/59/24/276135924.db2.gz MHXGWDBPKSPYBT-DGCLKSJQSA-N 1 0 323.349 0.545 20 5 DCBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555115384 288344216 /nfs/dbraw/zinc/34/42/16/288344216.db2.gz YWNPTIWPPFVMAX-UHFFFAOYSA-N 1 0 312.374 0.273 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2COCCO2)c1 ZINC000555575435 288357207 /nfs/dbraw/zinc/35/72/07/288357207.db2.gz JWOKNEDPMAPTNO-GXTWGEPZSA-N 1 0 312.322 0.340 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1 ZINC000563431923 288674305 /nfs/dbraw/zinc/67/43/05/288674305.db2.gz OGNZRPBHPWMMBU-GXSJLCMTSA-N 1 0 306.322 0.352 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261631361 295195112 /nfs/dbraw/zinc/19/51/12/295195112.db2.gz HPOFGJMPAJICAW-WCBMZHEXSA-N 1 0 315.351 0.714 20 5 DCBDRO COc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000234963378 295197680 /nfs/dbraw/zinc/19/76/80/295197680.db2.gz IZDPGMQGZQHBCG-WPRPVWTQSA-N 1 0 315.351 0.571 20 5 DCBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1[NH3+] ZINC000332003396 300189151 /nfs/dbraw/zinc/18/91/51/300189151.db2.gz PQUAHXHXHUROGT-WCBMZHEXSA-N 1 0 307.306 0.785 20 5 DCBDRO [NH3+][C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000123590628 303470139 /nfs/dbraw/zinc/47/01/39/303470139.db2.gz MOLKDXNBBHDXMJ-SSDOTTSWSA-N 1 0 305.743 0.970 20 5 DCBDRO CC[NH2+]CCCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000583381129 332375469 /nfs/dbraw/zinc/37/54/69/332375469.db2.gz ZAQAJSJBEAEYRY-UHFFFAOYSA-N 1 0 305.360 0.089 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000583154827 337247439 /nfs/dbraw/zinc/24/74/39/337247439.db2.gz IIPXXDNJZNXGPC-ZJUUUORDSA-N 1 0 310.741 0.996 20 5 DCBDRO CN1CC[NH+](CCC(C)(C)NC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000584476997 337347552 /nfs/dbraw/zinc/34/75/52/337347552.db2.gz ZHUXPXTYMPEEKO-UHFFFAOYSA-N 1 0 324.385 0.464 20 5 DCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000237940577 534634230 /nfs/dbraw/zinc/63/42/30/534634230.db2.gz SJXYQHXDTAXUKI-LBPRGKRZSA-N 1 0 320.349 0.522 20 5 DCBDRO C[NH+](C)C1CCN(CCNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000267246207 524040241 /nfs/dbraw/zinc/04/02/41/524040241.db2.gz LJCWDMFDBKUQDM-UHFFFAOYSA-N 1 0 309.370 0.679 20 5 DCBDRO Cc1c(C(=O)NCC(C)(C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000160060837 525605634 /nfs/dbraw/zinc/60/56/34/525605634.db2.gz CFZDBLJKIHABKG-UHFFFAOYSA-N 1 0 318.337 0.951 20 5 DCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000237882118 527188158 /nfs/dbraw/zinc/18/81/58/527188158.db2.gz QJEOJEWGRFJPGT-QMMMGPOBSA-N 1 0 312.351 0.336 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285014920 535697261 /nfs/dbraw/zinc/69/72/61/535697261.db2.gz DMTLCGUUOSWCHA-UHFFFAOYSA-N 1 0 310.358 0.075 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735986711 598500780 /nfs/dbraw/zinc/50/07/80/598500780.db2.gz PMIBXVYFHVRGGR-MRVPVSSYSA-N 1 0 306.330 0.922 20 5 DCBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C1CC1 ZINC000736758928 598501959 /nfs/dbraw/zinc/50/19/59/598501959.db2.gz KDYCORCQJXANPT-LLVKDONJSA-N 1 0 318.341 0.922 20 5 DCBDRO C[NH+](C)C1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821583036 607167471 /nfs/dbraw/zinc/16/74/71/607167471.db2.gz GXQOPSQSZMAULA-UHFFFAOYSA-N 1 0 318.341 0.700 20 5 DCBDRO CN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000825860069 608584007 /nfs/dbraw/zinc/58/40/07/608584007.db2.gz LMHWJAQRIBKKQB-UHFFFAOYSA-N 1 0 306.330 0.558 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000050246445 658171221 /nfs/dbraw/zinc/17/12/21/658171221.db2.gz YTRFNZKMQWGKLZ-VIFPVBQESA-N 1 0 315.351 0.573 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179208292 658220991 /nfs/dbraw/zinc/22/09/91/658220991.db2.gz MAYHGJVGWRUAFS-GFCCVEGCSA-N 1 0 323.349 0.841 20 5 DCBDRO CCCn1ncnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063589 658814661 /nfs/dbraw/zinc/81/46/61/658814661.db2.gz FIRTVQKRASLVBX-WRWGMCAJSA-N 1 0 322.369 0.090 20 5 DCBDRO CCn1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022064059 658816735 /nfs/dbraw/zinc/81/67/35/658816735.db2.gz STJFSESTYDFDRE-LSCVPOLPSA-N 1 0 322.369 0.008 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935982563 659379677 /nfs/dbraw/zinc/37/96/77/659379677.db2.gz ZFVTYLFNLXNTST-LBPRGKRZSA-N 1 0 313.329 0.705 20 5 DCBDRO CN1CC[C@@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000053686023 659497241 /nfs/dbraw/zinc/49/72/41/659497241.db2.gz BAUKMYHDIPBHCU-MRVPVSSYSA-N 1 0 303.315 0.716 20 5 DCBDRO Cc1ncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001025775319 659557300 /nfs/dbraw/zinc/55/73/00/659557300.db2.gz OYJSVVBPTCTMHV-LBELIVKGSA-N 1 0 322.390 0.663 20 5 DCBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@]1(F)CC[NH2+]C1 ZINC000178326554 659594529 /nfs/dbraw/zinc/59/45/29/659594529.db2.gz MARAPLLWSGZFIG-HNNXBMFYSA-N 1 0 322.340 0.945 20 5 DCBDRO C[C@]12CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]1(C)C[N@H+](CCCO)C2 ZINC000982279000 661331201 /nfs/dbraw/zinc/33/12/01/661331201.db2.gz XAIVSMFUBZIZTJ-GBOPCIDUSA-N 1 0 311.382 0.204 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000924993844 661846403 /nfs/dbraw/zinc/84/64/03/661846403.db2.gz WNGNVZATNAWTNU-QFVHEQCKSA-N 1 0 305.334 0.789 20 5 DCBDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000727057718 662106923 /nfs/dbraw/zinc/10/69/23/662106923.db2.gz FSDAASXVYDCQQM-QMMMGPOBSA-N 1 0 311.294 0.623 20 5 DCBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCC2CCOCC2)C1 ZINC001042711435 662925398 /nfs/dbraw/zinc/92/53/98/662925398.db2.gz SZGQJVQHUQNHCT-ZIAGYGMSSA-N 1 0 311.382 0.611 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)n1 ZINC000898834393 663109678 /nfs/dbraw/zinc/10/96/78/663109678.db2.gz IHOTZWGWVHURHI-MNOVXSKESA-N 1 0 307.354 0.931 20 5 DCBDRO CN1CCN(C(=O)c2ccc(C[NH2+]CC[N+](=O)[O-])cc2)CC1 ZINC000899871669 663195676 /nfs/dbraw/zinc/19/56/76/663195676.db2.gz RZPJQWUSYKHNJT-UHFFFAOYSA-N 1 0 306.366 0.441 20 5 DCBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1C[N@H+](C)CCN1C ZINC000900808254 663283018 /nfs/dbraw/zinc/28/30/18/663283018.db2.gz WGVCZFCBAPMTFL-GWCFXTLKSA-N 1 0 309.370 0.297 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000903840214 663488729 /nfs/dbraw/zinc/48/87/29/663488729.db2.gz PTOOAONPSQLYQU-HUUCEWRRSA-N 1 0 309.366 0.939 20 5 DCBDRO Cn1cc(C[NH2+][C@@H]2CNOC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904424847 663513139 /nfs/dbraw/zinc/51/31/39/663513139.db2.gz NGMKFOJWAKRFCZ-GFCCVEGCSA-N 1 0 303.322 0.988 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911723975 664102852 /nfs/dbraw/zinc/10/28/52/664102852.db2.gz JGEUFKSKVWHDBR-HZMBPMFUSA-N 1 0 318.333 0.908 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC([NH+]2CCC2)CC1 ZINC000912880582 664241313 /nfs/dbraw/zinc/24/13/13/664241313.db2.gz YSLZUQOXDZVTPK-UHFFFAOYSA-N 1 0 320.349 0.453 20 5 DCBDRO CN(C1C[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000090290027 664704801 /nfs/dbraw/zinc/70/48/01/664704801.db2.gz WAKJFSREBLYPQJ-UHFFFAOYSA-N 1 0 305.743 0.841 20 5 DCBDRO O=C(NC1CC[NH+](CCOC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002789947 666220165 /nfs/dbraw/zinc/22/01/65/666220165.db2.gz YFJTVSDZAHRELN-ZIAGYGMSSA-N 1 0 311.382 0.801 20 5 DCBDRO COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[C@@H]2C1 ZINC000946589111 666499732 /nfs/dbraw/zinc/49/97/32/666499732.db2.gz GQHWZTMOMAZKOL-XJFOESAGSA-N 1 0 311.382 0.468 20 5 DCBDRO CCc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428791 666790607 /nfs/dbraw/zinc/79/06/07/666790607.db2.gz HLIUPAJIVVJYHK-TZMCWYRMSA-N 1 0 322.365 0.983 20 5 DCBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345408 666919913 /nfs/dbraw/zinc/91/99/13/666919913.db2.gz TZNXCEBKFKRRRJ-GWCFXTLKSA-N 1 0 312.326 0.444 20 5 DCBDRO CON(C)C(=O)[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000863586848 667160335 /nfs/dbraw/zinc/16/03/35/667160335.db2.gz FXUWNVANZBEQRC-JTQLQIEISA-N 1 0 324.337 0.921 20 5 DCBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[N@H+]1CC[C@@H](O)C1 ZINC000869462537 667659445 /nfs/dbraw/zinc/65/94/45/667659445.db2.gz VNMNEDZSCJTENC-LLVKDONJSA-N 1 0 311.313 0.459 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885952135 667721891 /nfs/dbraw/zinc/72/18/91/667721891.db2.gz XJEYUNPWKCGOBF-UHFFFAOYSA-N 1 0 307.354 0.196 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cn1nccc1[N+](=O)[O-] ZINC000746655156 667885251 /nfs/dbraw/zinc/88/52/51/667885251.db2.gz ZUFRXWUKFDPVRE-AGIUHOORSA-N 1 0 309.370 0.932 20 5 DCBDRO CC1(C)CC[N@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000890078376 668093216 /nfs/dbraw/zinc/09/32/16/668093216.db2.gz CHRGWNBHZAMMCC-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000924998836 668263169 /nfs/dbraw/zinc/26/31/69/668263169.db2.gz GNOATHKTIJLCPF-UHFFFAOYSA-N 1 0 301.730 0.902 20 5 DCBDRO C[C@H]1CN(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000877020679 668552636 /nfs/dbraw/zinc/55/26/36/668552636.db2.gz CHOXDRBYPBKEGJ-HIFPTAJRSA-N 1 0 309.370 0.805 20 5 DCBDRO C[C@H]1CN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCO ZINC000778356410 668898341 /nfs/dbraw/zinc/89/83/41/668898341.db2.gz NLYUMSWQIBKVRF-SWLSCSKDSA-N 1 0 309.366 0.627 20 5 DCBDRO CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000932059292 669305335 /nfs/dbraw/zinc/30/53/35/669305335.db2.gz DYYUEVCHOAUITD-FRRDWIJNSA-N 1 0 308.338 0.922 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000932551720 669382969 /nfs/dbraw/zinc/38/29/69/669382969.db2.gz LIWKFBFYQMQMOZ-LBPRGKRZSA-N 1 0 307.354 0.795 20 5 DCBDRO CC[N@@H+]1CC[C@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000882959285 669630631 /nfs/dbraw/zinc/63/06/31/669630631.db2.gz AORCACVXLLVQAX-NSHDSACASA-N 1 0 322.369 0.728 20 5 DCBDRO CC[NH+](CC)CC[C@H](CO)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000798143654 669987304 /nfs/dbraw/zinc/98/73/04/669987304.db2.gz DJBDTBQEXMPYIP-GFCCVEGCSA-N 1 0 324.381 1.000 20 5 DCBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000802138060 670152147 /nfs/dbraw/zinc/15/21/47/670152147.db2.gz ZJPYRRSTRAQCCX-GFCCVEGCSA-N 1 0 312.326 0.444 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000854466161 670571951 /nfs/dbraw/zinc/57/19/51/670571951.db2.gz XNCAMJZSBMYNSP-JTQLQIEISA-N 1 0 317.292 0.725 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCN2CCCOCC2)cc1 ZINC000819251492 671106083 /nfs/dbraw/zinc/10/60/83/671106083.db2.gz RCSSATDUHATCLY-HNNXBMFYSA-N 1 0 309.366 0.940 20 5 DCBDRO CC(C)(CCC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[N+](=O)[O-] ZINC000823152259 671372318 /nfs/dbraw/zinc/37/23/18/671372318.db2.gz OUYONSOEUSNECI-OLZOCXBDSA-N 1 0 313.398 0.880 20 5 DCBDRO Nc1ccc(NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000823920864 671413237 /nfs/dbraw/zinc/41/32/37/671413237.db2.gz GFOIJELZIQTVKO-WDEREUQCSA-N 1 0 321.337 0.460 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000823994569 671415234 /nfs/dbraw/zinc/41/52/34/671415234.db2.gz VANBVKXXRUFDLL-NSHDSACASA-N 1 0 322.369 0.544 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827528035 671530848 /nfs/dbraw/zinc/53/08/48/671530848.db2.gz FSGJSMXKYAXTHU-KFWWJZLASA-N 1 0 319.361 0.881 20 5 DCBDRO C[NH+]1CC2(C1)CCN(C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000834522885 671769583 /nfs/dbraw/zinc/76/95/83/671769583.db2.gz WERPROXHUPMTIY-CYBMUJFWSA-N 1 0 305.334 0.792 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834686562 671776560 /nfs/dbraw/zinc/77/65/60/671776560.db2.gz IPNXMEXSUMLHLX-SNVBAGLBSA-N 1 0 308.338 0.508 20 5 DCBDRO Nc1ccc(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000834840143 671783576 /nfs/dbraw/zinc/78/35/76/671783576.db2.gz BWIGQTUKMHFYBB-SNVBAGLBSA-N 1 0 300.265 0.904 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841256406 671923512 /nfs/dbraw/zinc/92/35/12/671923512.db2.gz IKDJMXGONVJOOP-QMMMGPOBSA-N 1 0 312.301 0.834 20 5 DCBDRO CC[NH2+]CC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000843371819 672088785 /nfs/dbraw/zinc/08/87/85/672088785.db2.gz YIOKBDUDTCJJHB-UHFFFAOYSA-N 1 0 311.338 0.880 20 5 DCBDRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000843436787 672095469 /nfs/dbraw/zinc/09/54/69/672095469.db2.gz IRSHYOYZZNIKSF-CQSZACIVSA-N 1 0 323.349 0.858 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001670514457 1157454016 /nfs/dbraw/zinc/45/40/16/1157454016.db2.gz DWBATAGBEDFZEG-LLVKDONJSA-N 1 0 323.353 0.562 20 5 DCBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C[NH+](C)C ZINC001649026061 1158493778 /nfs/dbraw/zinc/49/37/78/1158493778.db2.gz MTKVUTTURGSACO-SNVBAGLBSA-N 1 0 312.326 0.392 20 5 DCBDRO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001566970283 1160197891 /nfs/dbraw/zinc/19/78/91/1160197891.db2.gz QPWJVGCAWBENEJ-JYAVWHMHSA-N 1 0 318.333 0.017 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CC[C@]3(C2)C[NH2+]CCO3)c1[N+](=O)[O-] ZINC001577603651 1164735008 /nfs/dbraw/zinc/73/50/08/1164735008.db2.gz TZUOXQQXFCPZNX-CQSZACIVSA-N 1 0 323.353 0.475 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001579395967 1165298282 /nfs/dbraw/zinc/29/82/82/1165298282.db2.gz UTAUKOXVWXWMHL-JTQLQIEISA-N 1 0 303.322 0.917 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC001579877181 1165419782 /nfs/dbraw/zinc/41/97/82/1165419782.db2.gz CDVCRCDQPCCTLG-QJPTWQEYSA-N 1 0 307.354 0.686 20 5 DCBDRO [NH3+][C@H]1C[C@H](CNC(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC001580427708 1165601581 /nfs/dbraw/zinc/60/15/81/1165601581.db2.gz NJFRPAQXPXDCMS-XYPYZODXSA-N 1 0 322.369 0.875 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC1(CCO)C[NH2+]C1 ZINC001580540756 1165633455 /nfs/dbraw/zinc/63/34/55/1165633455.db2.gz FEPZEVDYDLLOAF-UHFFFAOYSA-N 1 0 309.322 0.204 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001580562607 1165640124 /nfs/dbraw/zinc/64/01/24/1165640124.db2.gz ZDOSDWDZRATSQY-ZDUSSCGKSA-N 1 0 321.333 0.611 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N1CC[C@]2(C1)C[NH2+]CCO2 ZINC001580562100 1165640569 /nfs/dbraw/zinc/64/05/69/1165640569.db2.gz IOKNEIVDCJONCB-OAHLLOKOSA-N 1 0 321.333 0.565 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001591169961 1167123764 /nfs/dbraw/zinc/12/37/64/1167123764.db2.gz FTTXNWBNRCOBQM-UHFFFAOYSA-N 1 0 304.314 0.168 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@@H]21 ZINC001591196387 1167144209 /nfs/dbraw/zinc/14/42/09/1167144209.db2.gz WTWIBIMHLBZHAC-RNCFNFMXSA-N 1 0 315.337 0.915 20 5 DCBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CCC1 ZINC001591216196 1167162287 /nfs/dbraw/zinc/16/22/87/1167162287.db2.gz RFDQNVSKBDPZBH-UHFFFAOYSA-N 1 0 304.314 0.724 20 5 DCBDRO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)c(-c2nn[nH]n2)c[nH+]1 ZINC001592050660 1167446861 /nfs/dbraw/zinc/44/68/61/1167446861.db2.gz AQJPUYZJRDNEHW-UHFFFAOYSA-N 1 0 315.297 0.209 20 5 DCBDRO CC1(C)CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001603786470 1169389598 /nfs/dbraw/zinc/38/95/98/1169389598.db2.gz CLSGYWUPXCTROI-UHFFFAOYSA-N 1 0 304.314 0.358 20 5 DCBDRO C[N@H+](CCCCO)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001604741466 1169667733 /nfs/dbraw/zinc/66/77/33/1169667733.db2.gz MBEBVNPVZCHFKY-UHFFFAOYSA-N 1 0 306.326 0.979 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001607082787 1170385461 /nfs/dbraw/zinc/38/54/61/1170385461.db2.gz SJMJSUVUEIIBBL-UWVGGRQHSA-N 1 0 301.310 0.431 20 5 DCBDRO C[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001609174217 1170844812 /nfs/dbraw/zinc/84/48/12/1170844812.db2.gz SLAKUMBLTLPOKN-UFBFGSQYSA-N 1 0 304.310 0.588 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001609602522 1171040520 /nfs/dbraw/zinc/04/05/20/1171040520.db2.gz RQNVUHQTYDFIDF-UWVGGRQHSA-N 1 0 315.337 0.426 20 5 DCBDRO Cn1c(=O)c([N+](=O)[O-])c(N[C@H](CO)C[NH+](C)C)c2ccccc21 ZINC001612445603 1171361778 /nfs/dbraw/zinc/36/17/78/1171361778.db2.gz BZLWUAZPDUNKAU-JTQLQIEISA-N 1 0 320.349 0.781 20 5 DCBDRO C[NH+]1CCC2(CCN2c2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC001613063370 1171367110 /nfs/dbraw/zinc/36/71/10/1171367110.db2.gz RUARVSZSFROIIO-UHFFFAOYSA-N 1 0 305.338 0.763 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC001618752022 1171399841 /nfs/dbraw/zinc/39/98/41/1171399841.db2.gz DDNPDJGHKISKHI-HNNXBMFYSA-N 1 0 322.365 0.827 20 5 DCBDRO COCC[C@@H](CO)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001621283464 1171408440 /nfs/dbraw/zinc/40/84/40/1171408440.db2.gz UJMFADBGTKXZSU-JTQLQIEISA-N 1 0 300.311 0.796 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CN(C)CCO1 ZINC001622416688 1171424021 /nfs/dbraw/zinc/42/40/21/1171424021.db2.gz ZWVIOXUFZASNHU-RNCFNFMXSA-N 1 0 308.338 0.626 20 5 DCBDRO CN(C)c1ncc(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)n1C ZINC001628320982 1171524374 /nfs/dbraw/zinc/52/43/74/1171524374.db2.gz YYIHBZHUBQNIAV-UHFFFAOYSA-N 1 0 319.325 0.302 20 5 DCBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001636658121 1171746572 /nfs/dbraw/zinc/74/65/72/1171746572.db2.gz XRXDGAYKBOPQTI-GFCCVEGCSA-N 1 0 321.333 0.997 20 5 DCBDRO CO[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC001644129873 1171996645 /nfs/dbraw/zinc/99/66/45/1171996645.db2.gz WSNUBDZVTWQVRK-DOMZBBRYSA-N 1 0 323.349 0.665 20 5 DCBDRO COC(=O)[C@@]1(O)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001644291295 1172002142 /nfs/dbraw/zinc/00/21/42/1172002142.db2.gz CPGMWSTVNXFYDX-CQSZACIVSA-N 1 0 310.306 0.583 20 5 DCBDRO CC(C)(O)[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832962 1172022005 /nfs/dbraw/zinc/02/20/05/1172022005.db2.gz PHGWTAUEETVTQI-JQWIXIFHSA-N 1 0 310.354 0.608 20 5 DCBDRO CC(C)(O)[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832964 1172022571 /nfs/dbraw/zinc/02/25/71/1172022571.db2.gz PHGWTAUEETVTQI-ZYHUDNBSSA-N 1 0 310.354 0.608 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC001645792759 1172144170 /nfs/dbraw/zinc/14/41/70/1172144170.db2.gz OLVBKFYXMNRMDG-OTYXRUKQSA-N 1 0 305.338 0.596 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001651342832 1173746871 /nfs/dbraw/zinc/74/68/71/1173746871.db2.gz NSEZCNIUULROQU-CQSZACIVSA-N 1 0 324.337 0.279 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@H]1C[NH+]2CCC1CC2 ZINC001651509110 1173750582 /nfs/dbraw/zinc/75/05/82/1173750582.db2.gz CCBCVUSTUAYKRS-SNVBAGLBSA-N 1 0 305.338 0.842 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3cnccn3)C2)c1 ZINC001655712533 1173825505 /nfs/dbraw/zinc/82/55/05/1173825505.db2.gz HJMVMCIWFGQPDK-WCQYABFASA-N 1 0 318.337 0.432 20 5 DCBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](CO)[C@H](CCO)C2)c1 ZINC001656540353 1173867942 /nfs/dbraw/zinc/86/79/42/1173867942.db2.gz IMRVCUDHIPZQMG-CHWSQXEVSA-N 1 0 310.350 0.896 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C1 ZINC001662172457 1174183926 /nfs/dbraw/zinc/18/39/26/1174183926.db2.gz HUWZEQLDNJQIAJ-ZDUSSCGKSA-N 1 0 312.301 0.922 20 5 DCBDRO CN(CCC[N@H+](C)Cc1cncn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001700186186 1178523795 /nfs/dbraw/zinc/52/37/95/1178523795.db2.gz WGXGXAGQUTXFFR-CHWSQXEVSA-N 1 0 309.370 0.366 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000158626025 1180564740 /nfs/dbraw/zinc/56/47/40/1180564740.db2.gz IXSCHEZCSFZTIG-MFKMUULPSA-N 1 0 314.363 0.653 20 5 DCBDRO CCc1nnc(CNCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001713591726 1180950234 /nfs/dbraw/zinc/95/02/34/1180950234.db2.gz VZOSNPHZUJVLED-RKDXNWHRSA-N 1 0 313.383 0.314 20 5 DCBDRO Cc1nc(CC[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001713591591 1180950657 /nfs/dbraw/zinc/95/06/57/1180950657.db2.gz RDYVQPLPJFJNJY-VXGBXAGGSA-N 1 0 312.395 0.707 20 5 DCBDRO CC(=O)NCC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001731887212 1185548491 /nfs/dbraw/zinc/54/84/91/1185548491.db2.gz LDMJLLFIQXPOAQ-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO Nc1cc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)ncc1[N+](=O)[O-] ZINC001164967999 722073200 /nfs/dbraw/zinc/07/32/00/722073200.db2.gz XVLADGDNKUDSEQ-TXEJJXNPSA-N 1 0 319.365 0.871 20 5 DCBDRO COc1nc(-n2c(C)ncc(C[NH3+])c2=N)nc(C)c1[N+](=O)[O-] ZINC001167672685 747498433 /nfs/dbraw/zinc/49/84/33/747498433.db2.gz SUMKLXXFLMXTHS-UHFFFAOYSA-N 1 0 305.298 0.134 20 5 DCBDRO CCNC(=O)CC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126002073 748181834 /nfs/dbraw/zinc/18/18/34/748181834.db2.gz CVAZKDBWXAYJQF-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO O=C(NCC[NH2+]CCCOc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938727 750152021 /nfs/dbraw/zinc/15/20/21/750152021.db2.gz ILZWTODXIARDLD-ZIAGYGMSSA-N 1 0 307.350 0.827 20 5 DCBDRO CC(=O)N1CCc2cc(-n3ccnc3C(N)=[NH2+])cc([N+](=O)[O-])c21 ZINC001168419259 750715277 /nfs/dbraw/zinc/71/52/77/750715277.db2.gz GLPHMORIQHYWQY-UHFFFAOYSA-N 1 0 314.305 0.974 20 5 DCBDRO CCOC(=O)COc1ncc(NOCC[NH3+])cc1[N+](=O)[O-] ZINC001164429642 756968173 /nfs/dbraw/zinc/96/81/73/756968173.db2.gz OLOJGAARNSNSFL-UHFFFAOYSA-N 1 0 300.271 0.234 20 5 DCBDRO Cc1nc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)o1 ZINC001086363327 760101522 /nfs/dbraw/zinc/10/15/22/760101522.db2.gz OECAQTUWWADZNB-HKUMRIAESA-N 1 0 322.365 0.941 20 5 DCBDRO COc1nc(C)nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168806675 760464250 /nfs/dbraw/zinc/46/42/50/760464250.db2.gz CTBIJYLQKVNKRZ-VIFPVBQESA-N 1 0 304.310 0.704 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)nn2)C1 ZINC001168980309 760528309 /nfs/dbraw/zinc/52/83/09/760528309.db2.gz CSSFAVTUBCKWPH-CHWSQXEVSA-N 1 0 321.381 0.848 20 5 DCBDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985094 760530978 /nfs/dbraw/zinc/53/09/78/760530978.db2.gz CUBNAZBNSQIMAY-XWLWVQCSSA-N 1 0 301.343 0.088 20 5 DCBDRO CCOC(=O)c1cnc(-n2nc(CC[NH3+])nc2C)c([N+](=O)[O-])c1 ZINC001168983300 760531354 /nfs/dbraw/zinc/53/13/54/760531354.db2.gz NIRHLUMQGUQVCQ-UHFFFAOYSA-N 1 0 320.309 0.557 20 5 DCBDRO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H]2CC[C@H](C[N+](=O)[O-])C2)N1 ZINC001169048997 760563444 /nfs/dbraw/zinc/56/34/44/760563444.db2.gz VQYRSPQGQXRPIM-ZBRZCMCYSA-N 1 0 322.365 0.637 20 5 DCBDRO [NH3+]Cc1ccn(-c2ncnc(N3CCOCC3)c2[N+](=O)[O-])c1 ZINC001169723722 760813592 /nfs/dbraw/zinc/81/35/92/760813592.db2.gz ZPPPPKRWEYIINF-UHFFFAOYSA-N 1 0 304.310 0.471 20 5 DCBDRO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001123805802 768060229 /nfs/dbraw/zinc/06/02/29/768060229.db2.gz RSJLKVPOAGTYFR-UHFFFAOYSA-N 1 0 314.367 0.340 20 5 DCBDRO CC(=O)N[C@H]1C[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C1 ZINC001170584873 764051694 /nfs/dbraw/zinc/05/16/94/764051694.db2.gz GPRCOQVZPMYSEZ-MGCOHNPYSA-N 1 0 306.326 0.151 20 5 DCBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001101633416 764209980 /nfs/dbraw/zinc/20/99/80/764209980.db2.gz QBRLRTHYFAPPJB-UHFFFAOYSA-N 1 0 307.354 0.956 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605210 764535490 /nfs/dbraw/zinc/53/54/90/764535490.db2.gz FRJXNVVAVUNAQF-WDNDVIMCSA-N 1 0 305.334 0.693 20 5 DCBDRO [NH3+]CCc1nnn(-c2nc(Cl)cc(Cl)c2[N+](=O)[O-])n1 ZINC001156985156 770990477 /nfs/dbraw/zinc/99/04/77/770990477.db2.gz SQUUIAUKYUKSAN-UHFFFAOYSA-N 1 0 304.097 0.774 20 5 DCBDRO COc1nc(SC)nc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170779913 765731590 /nfs/dbraw/zinc/73/15/90/765731590.db2.gz ZBEVNEWGODDSAI-RNFRBKRXSA-N 1 0 315.355 0.108 20 5 DCBDRO CCOC(=O)c1cc(N[C@H]2C[NH2+]C[C@H]2CO)ccc1[N+](=O)[O-] ZINC001170790819 765794691 /nfs/dbraw/zinc/79/46/91/765794691.db2.gz YWTDLHXZMIMNBX-CABZTGNLSA-N 1 0 309.322 0.764 20 5 DCBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC001118176991 766245959 /nfs/dbraw/zinc/24/59/59/766245959.db2.gz RNHRGAXRHNNRNK-SECBINFHSA-N 1 0 317.367 0.880 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1nc(C)nc(OC)c1[N+](=O)[O-] ZINC001170991630 766368158 /nfs/dbraw/zinc/36/81/58/766368158.db2.gz BVIIIOFUXIXILO-UHFFFAOYSA-N 1 0 313.314 0.030 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001122021269 767699037 /nfs/dbraw/zinc/69/90/37/767699037.db2.gz MMFIYWWLAXPBKU-CQSZACIVSA-N 1 0 307.354 0.702 20 5 DCBDRO C[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001122239253 767748929 /nfs/dbraw/zinc/74/89/29/767748929.db2.gz HNOCWIXFNCQNGF-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO NC(=O)NCCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001175566880 769928682 /nfs/dbraw/zinc/92/86/82/769928682.db2.gz CWZDSCJSNGGHHD-UHFFFAOYSA-N 1 0 323.353 0.249 20 5 DCBDRO COC(=O)c1cnc(N[C@@H](C)CN2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001154748504 770284420 /nfs/dbraw/zinc/28/44/20/770284420.db2.gz ATRBHMTUWKSHIW-JTQLQIEISA-N 1 0 323.353 0.482 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NCC[C@H]2CCOC23C[NH2+]C3)n1 ZINC001155478700 770516440 /nfs/dbraw/zinc/51/64/40/770516440.db2.gz WCCSDUOXYVVBKX-JTQLQIEISA-N 1 0 323.353 0.882 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001155516887 770532600 /nfs/dbraw/zinc/53/26/00/770532600.db2.gz NEQPRLSEHJTGBZ-UFBFGSQYSA-N 1 0 314.729 0.530 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001155545180 770540074 /nfs/dbraw/zinc/54/00/74/770540074.db2.gz MNEVRVJTXVXLOJ-NOZJJQNGSA-N 1 0 322.325 0.194 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cnc3cc([N+](=O)[O-])ccc3n2)N1 ZINC001155570401 770547718 /nfs/dbraw/zinc/54/77/18/770547718.db2.gz MSQLKJTUCPQFIP-RISCZKNCSA-N 1 0 314.305 0.528 20 5 DCBDRO Cn1ncc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001178458367 770759682 /nfs/dbraw/zinc/75/96/82/770759682.db2.gz CZWGLHBACRCVPG-CHWSQXEVSA-N 1 0 324.385 0.247 20 5 DCBDRO O=C(NCCCCCC[NH2+]Cc1cnon1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178463702 770760421 /nfs/dbraw/zinc/76/04/21/770760421.db2.gz ITOCLPKKGMOBTR-VXGBXAGGSA-N 1 0 311.342 0.501 20 5 DCBDRO O=[N+]([O-])c1c(NCCn2cccc2)ncnc1N1CC[NH2+]CC1 ZINC001156299655 770780857 /nfs/dbraw/zinc/78/08/57/770780857.db2.gz GLDKWXZINWAJFY-UHFFFAOYSA-N 1 0 317.353 0.708 20 5 DCBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179008138 770927053 /nfs/dbraw/zinc/92/70/53/770927053.db2.gz HFEDOXCDRLWRMZ-SNVBAGLBSA-N 1 0 309.297 0.937 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC(=N)NCCCC[NH3+] ZINC001157096855 771533732 /nfs/dbraw/zinc/53/37/32/771533732.db2.gz NBPCHOQVEWHNDP-UHFFFAOYSA-N 1 0 324.341 0.842 20 5 DCBDRO CCC1(Nc2nc(Cl)nc(C(=O)OC)c2[N+](=O)[O-])C[NH2+]C1 ZINC001157779138 771670534 /nfs/dbraw/zinc/67/05/34/771670534.db2.gz GXLLIMFRKKGWCH-UHFFFAOYSA-N 1 0 315.717 0.989 20 5 DCBDRO [NH3+][C@@H]1CCc2nn(-c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C1 ZINC001157979746 771706359 /nfs/dbraw/zinc/70/63/59/771706359.db2.gz IEAVCFXWRBLAGO-MRVPVSSYSA-N 1 0 304.266 0.900 20 5 DCBDRO COc1nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc(OC)c1[N+](=O)[O-] ZINC001157986962 771707589 /nfs/dbraw/zinc/70/75/89/771707589.db2.gz BTPCGIQGEKGNHM-MRVPVSSYSA-N 1 0 320.309 0.404 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1ncn2c1C[NH2+]CCC2 ZINC001158359450 771764105 /nfs/dbraw/zinc/76/41/05/771764105.db2.gz OUAYYPGOJKXLTG-UHFFFAOYSA-N 1 0 318.337 0.839 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cc[nH]c1 ZINC001158604005 771794307 /nfs/dbraw/zinc/79/43/07/771794307.db2.gz SJUUBAMFEKEDOZ-UHFFFAOYSA-N 1 0 306.326 0.566 20 5 DCBDRO COc1cc2ncnc(N[C@@H]3C[NH2+]C[C@H]3CO)c2cc1[N+](=O)[O-] ZINC001159677582 771943199 /nfs/dbraw/zinc/94/31/99/771943199.db2.gz LAEWYDNOXQDUOC-GZMMTYOYSA-N 1 0 319.321 0.539 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001159864260 771970248 /nfs/dbraw/zinc/97/02/48/771970248.db2.gz OCOGVXUOZUKHFG-UHFFFAOYSA-N 1 0 319.321 0.866 20 5 DCBDRO [NH3+]C[C@]1(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160512162 772054590 /nfs/dbraw/zinc/05/45/90/772054590.db2.gz SPTSVDCNDVHAEZ-ZDUSSCGKSA-N 1 0 322.325 0.733 20 5 DCBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001162103210 772326177 /nfs/dbraw/zinc/32/61/77/772326177.db2.gz CYJZORDNAPUIBO-LBPRGKRZSA-N 1 0 322.365 0.821 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@@H]12 ZINC001162789680 772418428 /nfs/dbraw/zinc/41/84/28/772418428.db2.gz KBVMYLBTXRMZAA-GGZOMVNGSA-N 1 0 304.306 0.962 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CCO)CCc1ccccc1 ZINC001162810369 772421079 /nfs/dbraw/zinc/42/10/79/772421079.db2.gz JWWIDQJLOAAVRV-HUUCEWRRSA-N 1 0 321.377 0.305 20 5 DCBDRO COC(=O)[C@@H](Nc1ncnc2[nH]cc([N+](=O)[O-])c21)C(C)(C)[NH3+] ZINC001162942876 772433934 /nfs/dbraw/zinc/43/39/34/772433934.db2.gz VCGPZNOGLHACRT-MRVPVSSYSA-N 1 0 308.298 0.557 20 5 DCBDRO O=[N+]([O-])c1c(Cl)ncnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162967271 772436850 /nfs/dbraw/zinc/43/68/50/772436850.db2.gz OAYAIDAWEGDGJP-UHFFFAOYSA-N 1 0 324.732 0.735 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCC[C@@H]2CCOC23C[NH2+]C3)c1F ZINC001163079633 772455512 /nfs/dbraw/zinc/45/55/12/772455512.db2.gz BXZZTYOZBFVZPL-SECBINFHSA-N 1 0 312.301 0.548 20 5 DCBDRO CCOc1cc([N+](=O)[O-])ccc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163248303 772490681 /nfs/dbraw/zinc/49/06/81/772490681.db2.gz GOUFLBDHNFBFBF-TZMCWYRMSA-N 1 0 306.322 0.984 20 5 DCBDRO Cc1nnc(C[NH3+])n1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001163351833 772513145 /nfs/dbraw/zinc/51/31/45/772513145.db2.gz XZOLSLNFTHHSMO-SNAWJCMRSA-N 1 0 303.326 0.870 20 5 DCBDRO COCCC[NH+]1CCN(c2ncc([N+](=O)[O-])c(OC)n2)CC1 ZINC001165094592 772694561 /nfs/dbraw/zinc/69/45/61/772694561.db2.gz PQDWUTUYCOKPOQ-UHFFFAOYSA-N 1 0 311.342 0.552 20 5 DCBDRO COc1cnc(N2CC([N@H+](C)[C@@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001165205925 772705412 /nfs/dbraw/zinc/70/54/12/772705412.db2.gz YKLZQNBSFNHLOM-SNVBAGLBSA-N 1 0 308.338 0.908 20 5 DCBDRO COc1cnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC001165256196 772712339 /nfs/dbraw/zinc/71/23/39/772712339.db2.gz PEDRDQAJKBNHPI-UHFFFAOYSA-N 1 0 321.337 0.057 20 5 DCBDRO O=[N+]([O-])c1cccc2ncnc(N3CCOCC34C[NH2+]C4)c21 ZINC001165286944 772717599 /nfs/dbraw/zinc/71/75/99/772717599.db2.gz MTZMIUBSCKCNKU-UHFFFAOYSA-N 1 0 301.306 0.717 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(N2CCNC(=O)C23C[NH2+]C3)nc1Cl ZINC001165297461 772719963 /nfs/dbraw/zinc/71/99/63/772719963.db2.gz DUMQGSKDTSLGJH-UHFFFAOYSA-N 1 0 311.729 0.230 20 5 DCBDRO CON(C)C(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001206366235 773070924 /nfs/dbraw/zinc/07/09/24/773070924.db2.gz OMLLOZVWJRNZOC-UHFFFAOYSA-N 1 0 323.353 0.568 20 5 DCBDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC001194408607 773187334 /nfs/dbraw/zinc/18/73/34/773187334.db2.gz FPMPKZHBUOLPHT-OAHLLOKOSA-N 1 0 323.349 0.525 20 5 DCBDRO CC(C)COCC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001200473155 774359816 /nfs/dbraw/zinc/35/98/16/774359816.db2.gz XXLXQRPKACAZQH-ZIAGYGMSSA-N 1 0 313.398 0.905 20 5 DCBDRO COC(=O)c1c(F)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225943698 775743866 /nfs/dbraw/zinc/74/38/66/775743866.db2.gz SZAXZCIIYNSNSM-SNVBAGLBSA-N 1 0 314.333 0.975 20 5 DCBDRO NC(=O)CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001226700154 775864392 /nfs/dbraw/zinc/86/43/92/775864392.db2.gz XZBUZAITYXHHBY-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO COc1ccc2[nH]c(OC(=O)C[C@@H](O)C[N+](C)(C)C)nc2c1 ZINC001229729894 776218644 /nfs/dbraw/zinc/21/86/44/776218644.db2.gz MZPXBTOSPSSNSO-SNVBAGLBSA-N 1 0 308.358 0.934 20 5 DCBDRO C[NH+](C)CCC(=O)NC1CN(Cc2ccccc2[N+](=O)[O-])C1 ZINC001318059330 945253192 /nfs/dbraw/zinc/25/31/92/945253192.db2.gz JEGGOJUYUZTAOL-UHFFFAOYSA-N 1 0 306.366 0.847 20 5 DCBDRO CN(CC[NH2+]Cc1ccc(CO)cc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001481228730 939654165 /nfs/dbraw/zinc/65/41/65/939654165.db2.gz DUKNBAYJBMDVBF-ZIAGYGMSSA-N 1 0 307.350 0.392 20 5 DCBDRO COCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC001491300828 943901969 /nfs/dbraw/zinc/90/19/69/943901969.db2.gz FBUIRBJXJDDJCO-NHAGDIPZSA-N 1 0 305.334 0.788 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CNCCN1)CC2 ZINC001246493921 945419991 /nfs/dbraw/zinc/41/99/91/945419991.db2.gz GTLSNDDKBYGNQH-HUUCEWRRSA-N 1 0 304.394 0.993 20 5 DCBDRO C[C@H]1C[NH2+]CCN1Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248311629 945595098 /nfs/dbraw/zinc/59/50/98/945595098.db2.gz CTNUKIILTVNTHM-QMMMGPOBSA-N 1 0 322.300 0.973 20 5 DCBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001321427686 946329024 /nfs/dbraw/zinc/32/90/24/946329024.db2.gz VEJVCFMCZFRNKB-LLVKDONJSA-N 1 0 323.353 0.691 20 5 DCBDRO NC(=O)C1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC001254565724 946410095 /nfs/dbraw/zinc/41/00/95/946410095.db2.gz GEGGQRVOEOJRQH-CYBMUJFWSA-N 1 0 319.361 0.934 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCOCCOCCO)C2 ZINC001254581821 946413270 /nfs/dbraw/zinc/41/32/70/946413270.db2.gz NHCCYDNMLQEZCU-AWEZNQCLSA-N 1 0 310.350 0.677 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001261474555 947309149 /nfs/dbraw/zinc/30/91/49/947309149.db2.gz GGBWZYYVOSSTDW-LLVKDONJSA-N 1 0 311.342 0.066 20 5 DCBDRO NC(=O)C1([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001327581709 948560010 /nfs/dbraw/zinc/56/00/10/948560010.db2.gz JGDDLCNKUQJSIL-LBPRGKRZSA-N 1 0 309.322 0.252 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328729969 949056295 /nfs/dbraw/zinc/05/62/95/949056295.db2.gz XSPSLVDNZAJJNT-ZDUSSCGKSA-N 1 0 306.322 0.608 20 5 DCBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329114232 949367683 /nfs/dbraw/zinc/36/76/83/949367683.db2.gz HPZYODMINHUYTC-TVQRCGJNSA-N 1 0 318.333 0.304 20 5 DCBDRO CC(C)C[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001329465687 949614583 /nfs/dbraw/zinc/61/45/83/949614583.db2.gz QDCQDMHAHIOMSC-UHFFFAOYSA-N 1 0 321.381 0.884 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC001329513430 949653065 /nfs/dbraw/zinc/65/30/65/949653065.db2.gz BQTWVLDFRCBOOF-SECBINFHSA-N 1 0 316.321 0.792 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[NH2+]CCC12CCC2 ZINC001330940607 950774173 /nfs/dbraw/zinc/77/41/73/950774173.db2.gz DDPZBGZAOSZMIT-UHFFFAOYSA-N 1 0 320.349 0.501 20 5 DCBDRO CN1CC[NH+](C2CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)CC1 ZINC001337940679 952937232 /nfs/dbraw/zinc/93/72/32/952937232.db2.gz ISAUODVJQGHJNO-UHFFFAOYSA-N 1 0 320.397 0.788 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3cc(N)c([N+](=O)[O-])cn3)CC2)C1 ZINC001339577279 953104296 /nfs/dbraw/zinc/10/42/96/953104296.db2.gz BYSPQVZUBMMHPV-GFCCVEGCSA-N 1 0 320.397 0.788 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001339663333 953110700 /nfs/dbraw/zinc/11/07/00/953110700.db2.gz BCXUUBXCMBGMGH-UHFFFAOYSA-N 1 0 324.385 0.140 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC2(CC[NH2+]CC2)C1 ZINC001349417979 954745273 /nfs/dbraw/zinc/74/52/73/954745273.db2.gz LQTBSDLBICTHOR-UHFFFAOYSA-N 1 0 308.342 0.179 20 5 DCBDRO COc1c(O)ccc(C[NH2+]CCCOCCO)c1[N+](=O)[O-] ZINC001474387395 957717509 /nfs/dbraw/zinc/71/75/09/957717509.db2.gz NGHZNFXJDVTDSK-UHFFFAOYSA-N 1 0 300.311 0.798 20 5 DCBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC001449951461 1014806682 /nfs/dbraw/zinc/80/66/82/1014806682.db2.gz HGXSRMILRISCHI-UHFFFAOYSA-N 1 0 324.381 0.898 20 5 DCBDRO O=C(NCCN1CCC2(C1)OCCO2)c1ccc([N+](=O)[O-])[nH]1 ZINC001470337976 1016418424 /nfs/dbraw/zinc/41/84/24/1016418424.db2.gz FCZLXUTVFRMZON-UHFFFAOYSA-N 1 0 310.310 0.102 20 5 DCBDRO [NH3+]Cc1nccnc1N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001472737552 1016853200 /nfs/dbraw/zinc/85/32/00/1016853200.db2.gz RYPKTQLPMRQWAR-SNVBAGLBSA-N 1 0 315.337 0.929 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001477128618 1017256504 /nfs/dbraw/zinc/25/65/04/1017256504.db2.gz ZMGKZBQFPTUPCY-SNVBAGLBSA-N 1 0 321.337 0.909 20 5 DCBDRO Nc1c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc(F)cc1[N+](=O)[O-] ZINC001456298592 1010177371 /nfs/dbraw/zinc/17/73/71/1010177371.db2.gz ONJYCLKWMXYIQP-VIFPVBQESA-N 1 0 324.312 0.519 20 5 DCBDRO COc1cc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001456302341 1010181394 /nfs/dbraw/zinc/18/13/94/1010181394.db2.gz VUONGDFFOPIBPZ-LLVKDONJSA-N 1 0 321.333 0.806 20 5 DCBDRO Cc1nc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)ccc1[N+](=O)[O-] ZINC001559303919 1012417947 /nfs/dbraw/zinc/41/79/47/1012417947.db2.gz IMCZDMRAHLRDKH-SWLSCSKDSA-N 1 0 322.365 0.936 20 5 DCBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1 ZINC001560230874 1012444247 /nfs/dbraw/zinc/44/42/47/1012444247.db2.gz ISJAAYASRHKUJM-QWHCGFSZSA-N 1 0 310.350 0.896 20 5 DCBDRO CC(C)[C@H]1CN(c2nnc(CCC[N+](=O)[O-])n2C)CC[N@@H+]1C ZINC001519566338 1017218455 /nfs/dbraw/zinc/21/84/55/1017218455.db2.gz NLPHLVZVUZDTMJ-GFCCVEGCSA-N 1 0 310.402 0.801 20 5 DCBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCC[C@@H]([NH2+]CCO)C1 ZINC001522229839 1017469261 /nfs/dbraw/zinc/46/92/61/1017469261.db2.gz DUEKDXUNAPOZAR-SNVBAGLBSA-N 1 0 311.313 0.920 20 5 DCBDRO COCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001501179578 1018938073 /nfs/dbraw/zinc/93/80/73/1018938073.db2.gz PYJGGWICSLNRHN-AAVRWANBSA-N 1 0 313.398 0.810 20 5 DCBDRO C[NH+](C)CC1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330777632 232059882 /nfs/dbraw/zinc/05/98/82/232059882.db2.gz URYRQEXPIXMAPD-UHFFFAOYSA-N 1 0 322.365 0.557 20 5 DCBDRO COC[C@@H](CO)[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279634340 215021490 /nfs/dbraw/zinc/02/14/90/215021490.db2.gz CGQOAKURGKOHIP-ZYHUDNBSSA-N 1 0 311.338 0.909 20 5 DCBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000287179246 219363685 /nfs/dbraw/zinc/36/36/85/219363685.db2.gz ONNQNXMPCBLBNX-RYUDHWBXSA-N 1 0 307.354 0.877 20 5 DCBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000265135074 186335729 /nfs/dbraw/zinc/33/57/29/186335729.db2.gz SYUVPNBSXGHRRS-UHFFFAOYSA-N 1 0 323.397 0.926 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418382818 295881956 /nfs/dbraw/zinc/88/19/56/295881956.db2.gz NCWVVGCDZIRHGM-NSHDSACASA-N 1 0 320.353 0.183 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000180926675 199228880 /nfs/dbraw/zinc/22/88/80/199228880.db2.gz XOYYUEGERFQKNQ-UHFFFAOYSA-N 1 0 310.354 0.875 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000161462560 237093211 /nfs/dbraw/zinc/09/32/11/237093211.db2.gz KNVBKICGTLNKBG-LBPRGKRZSA-N 1 0 317.367 0.186 20 5 DCBDRO C[N@H+](CCN1CCCC1=O)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159822694 291236518 /nfs/dbraw/zinc/23/65/18/291236518.db2.gz MXGRCUJDGCVNTC-UHFFFAOYSA-N 1 0 308.338 0.311 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cccc(CO)c2)c1 ZINC000320160996 291257188 /nfs/dbraw/zinc/25/71/88/291257188.db2.gz IALQZIDILSRCBG-CQSZACIVSA-N 1 0 306.322 0.434 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000566215363 291283588 /nfs/dbraw/zinc/28/35/88/291283588.db2.gz YPRMPZPJCWSDCE-VIFPVBQESA-N 1 0 300.340 0.220 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](O)C(F)F ZINC000566231448 291284782 /nfs/dbraw/zinc/28/47/82/291284782.db2.gz CADZPPMDXRXATE-SCZZXKLOSA-N 1 0 306.265 0.550 20 5 DCBDRO [NH3+]CCn1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])nn1 ZINC000566506052 291309903 /nfs/dbraw/zinc/30/99/03/291309903.db2.gz NECUTGPMCQRUJX-UHFFFAOYSA-N 1 0 304.310 0.118 20 5 DCBDRO C[C@@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000567122363 291338527 /nfs/dbraw/zinc/33/85/27/291338527.db2.gz FJOGDYHLPALNNW-SWHYSGLUSA-N 1 0 307.350 0.832 20 5 DCBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCO1 ZINC000493813487 241162277 /nfs/dbraw/zinc/16/22/77/241162277.db2.gz CSVOELRGGKNHQB-QQHVMHFCSA-N 1 0 309.297 0.852 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCN(CC(F)F)C2)c1 ZINC000568384388 291425115 /nfs/dbraw/zinc/42/51/15/291425115.db2.gz CSECEZXKTRMPSX-ONGXEEELSA-N 1 0 319.312 0.081 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCn2cncn2)c1 ZINC000568740659 291443492 /nfs/dbraw/zinc/44/34/92/291443492.db2.gz HDPLIOIURMKGAH-LBPRGKRZSA-N 1 0 307.310 0.216 20 5 DCBDRO CC(C)[NH2+]CCCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000569102976 291461866 /nfs/dbraw/zinc/46/18/66/291461866.db2.gz YAQCNIOSAXAFLN-UHFFFAOYSA-N 1 0 302.356 0.656 20 5 DCBDRO C[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000275043141 212090082 /nfs/dbraw/zinc/09/00/82/212090082.db2.gz QZACEHZVUSTTKR-VIFPVBQESA-N 1 0 307.310 0.634 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264710213 204094194 /nfs/dbraw/zinc/09/41/94/204094194.db2.gz OKBIDPDVQQSKPO-CYBMUJFWSA-N 1 0 306.366 0.499 20 5 DCBDRO CCc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000572349459 291562766 /nfs/dbraw/zinc/56/27/66/291562766.db2.gz SBBXWDNIUSRSNC-KBPBESRZSA-N 1 0 307.350 0.904 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000339765166 253140116 /nfs/dbraw/zinc/14/01/16/253140116.db2.gz WEQILAUYVPDFPJ-ZIAGYGMSSA-N 1 0 310.354 0.701 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)n1 ZINC000339763156 253140205 /nfs/dbraw/zinc/14/02/05/253140205.db2.gz XQEGRCUSJNQPAZ-UONOGXRCSA-N 1 0 310.354 0.701 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCCN1CC[NH+](C)CC1 ZINC000339880939 253157547 /nfs/dbraw/zinc/15/75/47/253157547.db2.gz CASAZGNNRQXBRH-UHFFFAOYSA-N 1 0 321.381 0.614 20 5 DCBDRO C[NH+](C)CC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(C)(C)C ZINC000340893996 253318998 /nfs/dbraw/zinc/31/89/98/253318998.db2.gz JEVUZJITDKPQNH-JTQLQIEISA-N 1 0 312.374 0.669 20 5 DCBDRO COC(=O)c1cn(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)nn1 ZINC000341276027 253362986 /nfs/dbraw/zinc/36/29/86/253362986.db2.gz RSBJDFLXVIUNKV-UHFFFAOYSA-N 1 0 323.284 0.902 20 5 DCBDRO CN(CCC[NH+]1CCCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343751027 253696924 /nfs/dbraw/zinc/69/69/24/253696924.db2.gz QLFBHQRFEBZBOX-UHFFFAOYSA-N 1 0 322.365 0.701 20 5 DCBDRO C[NH+](C)CCCNC(=O)Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000346616601 254074839 /nfs/dbraw/zinc/07/48/39/254074839.db2.gz AIAOTYLLSOPZST-UHFFFAOYSA-N 1 0 316.745 0.478 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000347427430 254155981 /nfs/dbraw/zinc/15/59/81/254155981.db2.gz LNBMXCBABCYNLE-GFCCVEGCSA-N 1 0 313.383 0.495 20 5 DCBDRO COc1ccc(CNC(=O)CCOC2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000349031826 254270699 /nfs/dbraw/zinc/27/06/99/254270699.db2.gz WERYXTKHTNNVBA-UHFFFAOYSA-N 1 0 309.322 0.598 20 5 DCBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000352110158 254399661 /nfs/dbraw/zinc/39/96/61/254399661.db2.gz AJOZVPCPEGLYBT-CYBMUJFWSA-N 1 0 313.358 0.000 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000285116950 131139985 /nfs/dbraw/zinc/13/99/85/131139985.db2.gz VHLVINMOIOWGJN-UHFFFAOYSA-N 1 0 322.369 0.172 20 5 DCBDRO CCc1nn(C)c(NC[C@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000094154129 395739963 /nfs/dbraw/zinc/73/99/63/395739963.db2.gz SXXOGGRSXBGMKH-NSHDSACASA-N 1 0 310.402 0.939 20 5 DCBDRO CCc1nn(C)c(N[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000094156682 395740026 /nfs/dbraw/zinc/74/00/26/395740026.db2.gz HUKVZXNNAJHWQP-LLVKDONJSA-N 1 0 310.402 0.939 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1COCCN1 ZINC000235757564 395893124 /nfs/dbraw/zinc/89/31/24/395893124.db2.gz KAGRKBKQQIHNER-JTQLQIEISA-N 1 0 315.351 0.170 20 5 DCBDRO C[N@H+](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000056191940 395927805 /nfs/dbraw/zinc/92/78/05/395927805.db2.gz NOONJIJBXSRLGL-UHFFFAOYSA-N 1 0 318.337 0.435 20 5 DCBDRO CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000151434149 395985347 /nfs/dbraw/zinc/98/53/47/395985347.db2.gz XYMMBAZECLCTFW-UHFFFAOYSA-N 1 0 315.351 0.338 20 5 DCBDRO Cn1ccnc1[C@H]1C[NH2+]CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000261678727 396055373 /nfs/dbraw/zinc/05/53/73/396055373.db2.gz CUZYOIGJFIEZPO-GFCCVEGCSA-N 1 0 305.342 0.171 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000261733765 396060574 /nfs/dbraw/zinc/06/05/74/396060574.db2.gz LUQZQOVHXPHTGZ-SECBINFHSA-N 1 0 304.310 0.513 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000249122839 396003147 /nfs/dbraw/zinc/00/31/47/396003147.db2.gz ZPHNVGWSRXTIKF-OLZOCXBDSA-N 1 0 324.381 0.143 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278652651 396137432 /nfs/dbraw/zinc/13/74/32/396137432.db2.gz HKWWZCXPDXUJEW-BETUJISGSA-N 1 0 309.322 0.269 20 5 DCBDRO [NH3+][C@@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000261880919 396075038 /nfs/dbraw/zinc/07/50/38/396075038.db2.gz UOUMEZXEWKYBQM-CQSZACIVSA-N 1 0 322.365 0.877 20 5 DCBDRO COc1cc(OCC(=O)NC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000178740565 396207172 /nfs/dbraw/zinc/20/71/72/396207172.db2.gz NBQJLQQRUCLGIJ-JTQLQIEISA-N 1 0 309.322 0.850 20 5 DCBDRO O=C(NC1CC[NH2+]CC1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000262509844 396149200 /nfs/dbraw/zinc/14/92/00/396149200.db2.gz NBSWJZGZOYUEEU-UHFFFAOYSA-N 1 0 316.321 0.657 20 5 DCBDRO CC[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000076268094 396200066 /nfs/dbraw/zinc/20/00/66/396200066.db2.gz YWZQGJNDYBALPH-UHFFFAOYSA-N 1 0 309.374 0.407 20 5 DCBDRO Cc1n[nH]c(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1[N+](=O)[O-] ZINC000281823586 396242609 /nfs/dbraw/zinc/24/26/09/396242609.db2.gz RHQUIRKZNDSCBK-UHFFFAOYSA-N 1 0 324.385 0.382 20 5 DCBDRO COc1cc(S(=O)(=O)NCC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000178910838 396214392 /nfs/dbraw/zinc/21/43/92/396214392.db2.gz NYNUPCSBAHRFRO-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000264565835 396291753 /nfs/dbraw/zinc/29/17/53/396291753.db2.gz RMRZEDPSIVDNTO-SECBINFHSA-N 1 0 310.310 0.257 20 5 DCBDRO COC(=O)c1cn(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC000284085326 396344851 /nfs/dbraw/zinc/34/48/51/396344851.db2.gz RJTAOGPEHXYQCG-UHFFFAOYSA-N 1 0 305.294 0.763 20 5 DCBDRO CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C[C@H](C)O ZINC000286105729 396375428 /nfs/dbraw/zinc/37/54/28/396375428.db2.gz NJYQTQYHYNANNT-VHSXEESVSA-N 1 0 311.342 0.235 20 5 DCBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000192651945 396433879 /nfs/dbraw/zinc/43/38/79/396433879.db2.gz KXMDYAGOJHMPCJ-AWEZNQCLSA-N 1 0 304.306 0.769 20 5 DCBDRO CCc1nn(C)c(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000288911224 396449168 /nfs/dbraw/zinc/44/91/68/396449168.db2.gz OSBNCSGOOKKTHM-NSHDSACASA-N 1 0 324.385 0.642 20 5 DCBDRO Cc1noc(CN2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000595297313 396582172 /nfs/dbraw/zinc/58/21/72/396582172.db2.gz LSTQIYKHMLPEMN-UHFFFAOYSA-N 1 0 311.342 0.097 20 5 DCBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000595121501 396552750 /nfs/dbraw/zinc/55/27/50/396552750.db2.gz KTKKRZFPOIMFGQ-MRVPVSSYSA-N 1 0 303.340 0.490 20 5 DCBDRO Cn1ccnc1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000530410536 396577210 /nfs/dbraw/zinc/57/72/10/396577210.db2.gz KDNHPKBAGGKVKV-LBPRGKRZSA-N 1 0 317.349 0.980 20 5 DCBDRO O=C1C[C@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CN1 ZINC000595374762 396597190 /nfs/dbraw/zinc/59/71/90/396597190.db2.gz JILBDJAIJXQRBO-WDEREUQCSA-N 1 0 305.338 0.612 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@H]21 ZINC000374622148 396677125 /nfs/dbraw/zinc/67/71/25/396677125.db2.gz KKCFQVDBATZKNC-RAIGVLPGSA-N 1 0 320.349 0.342 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000374632967 396677776 /nfs/dbraw/zinc/67/77/76/396677776.db2.gz WBULOZYDLJYLGS-SRVKXCTJSA-N 1 0 307.354 0.686 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595923446 396683118 /nfs/dbraw/zinc/68/31/18/396683118.db2.gz VGWFLSABBCSMQA-ZWNOBZJWSA-N 1 0 308.338 0.487 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860771 396695495 /nfs/dbraw/zinc/69/54/95/396695495.db2.gz LGNNASHSUNDVQG-GJZGRUSLSA-N 1 0 319.361 0.805 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000588867076 396696851 /nfs/dbraw/zinc/69/68/51/396696851.db2.gz WERFPEOJCLHSKM-JTQLQIEISA-N 1 0 315.757 0.829 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000595984625 396703650 /nfs/dbraw/zinc/70/36/50/396703650.db2.gz XFHLWOVQCDVXHH-VIFPVBQESA-N 1 0 304.310 0.513 20 5 DCBDRO CNC(=O)C[NH+]1CCC(Nc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596077901 396715269 /nfs/dbraw/zinc/71/52/69/396715269.db2.gz DWGUQEIBEFHQHY-UHFFFAOYSA-N 1 0 309.326 0.318 20 5 DCBDRO C[N@H+](CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C1CC1 ZINC000596088358 396715990 /nfs/dbraw/zinc/71/59/90/396715990.db2.gz OZTZADYMTYSXAC-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596129607 396722111 /nfs/dbraw/zinc/72/21/11/396722111.db2.gz ULZZIGXILTWWLU-CQSZACIVSA-N 1 0 306.322 0.710 20 5 DCBDRO C[NH+](C)CCn1nccc1NC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000294199645 396659862 /nfs/dbraw/zinc/65/98/62/396659862.db2.gz UVOAEAJBKKWEBM-UHFFFAOYSA-N 1 0 307.314 0.188 20 5 DCBDRO CN(CC(=O)N[C@@H](CO)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000590549662 396793648 /nfs/dbraw/zinc/79/36/48/396793648.db2.gz NIWNZRCVSVTASB-LLVKDONJSA-N 1 0 310.354 0.070 20 5 DCBDRO NC(=O)c1cc(NCC[N@@H+]2CCCOCC2)ccc1[N+](=O)[O-] ZINC000596203131 396731130 /nfs/dbraw/zinc/73/11/30/396731130.db2.gz MGFFWXYBXCYIDR-UHFFFAOYSA-N 1 0 308.338 0.828 20 5 DCBDRO Cc1nn(C)c(N2CCC(CO)([NH2+]C(C)C)CC2)c1[N+](=O)[O-] ZINC000596250613 396743422 /nfs/dbraw/zinc/74/34/22/396743422.db2.gz ILPNFEJCJFZLCK-UHFFFAOYSA-N 1 0 311.386 0.966 20 5 DCBDRO CCC(C)(C)OCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000308692239 396757530 /nfs/dbraw/zinc/75/75/30/396757530.db2.gz KZVGDJJCPVAOGL-LBPRGKRZSA-N 1 0 300.359 0.947 20 5 DCBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000610881624 396775205 /nfs/dbraw/zinc/77/52/05/396775205.db2.gz MDXSVUXIOYFYIL-LBPRGKRZSA-N 1 0 324.385 0.965 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](O)[C@H]1C ZINC000590762197 396835873 /nfs/dbraw/zinc/83/58/73/396835873.db2.gz PEMPZRCNTKTVRB-BXKDBHETSA-N 1 0 309.322 0.997 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000600526270 396883339 /nfs/dbraw/zinc/88/33/39/396883339.db2.gz GVJXJYLUNCYXGG-GFCCVEGCSA-N 1 0 309.322 0.156 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591347031 396904295 /nfs/dbraw/zinc/90/42/95/396904295.db2.gz AABSXXBDLDNTRN-FZMZJTMJSA-N 1 0 322.365 0.895 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000591353239 396905487 /nfs/dbraw/zinc/90/54/87/396905487.db2.gz CTJTVLYNNURNCR-RISCZKNCSA-N 1 0 322.365 0.895 20 5 DCBDRO CN(CCC[NH3+])C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591679909 396975435 /nfs/dbraw/zinc/97/54/35/396975435.db2.gz ZJSDFSDDCKCMPS-UHFFFAOYSA-N 1 0 308.338 0.522 20 5 DCBDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618970402 397049989 /nfs/dbraw/zinc/04/99/89/397049989.db2.gz BWENMFVJKINQPU-ZUZCIYMTSA-N 1 0 324.333 0.996 20 5 DCBDRO O=[N+]([O-])c1ncccc1N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000612449886 397058507 /nfs/dbraw/zinc/05/85/07/397058507.db2.gz BPEOEZJNBACYAK-UHFFFAOYSA-N 1 0 322.365 0.653 20 5 DCBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000597855579 397123377 /nfs/dbraw/zinc/12/33/77/397123377.db2.gz SUQHMCSJQPZBMA-SNVBAGLBSA-N 1 0 310.358 0.423 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000592294596 397144790 /nfs/dbraw/zinc/14/47/90/397144790.db2.gz LCIILPGEVMMEPB-LLVKDONJSA-N 1 0 320.349 0.440 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCc2ccc(CO)cc2)c1 ZINC000592430596 397175050 /nfs/dbraw/zinc/17/50/50/397175050.db2.gz VGCYBEXZHDYGPI-OAHLLOKOSA-N 1 0 320.349 0.477 20 5 DCBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592430179 397175371 /nfs/dbraw/zinc/17/53/71/397175371.db2.gz GZNHQDDYWIRCPO-GMXVVIOVSA-N 1 0 300.359 0.539 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 ZINC000592476529 397186994 /nfs/dbraw/zinc/18/69/94/397186994.db2.gz HMWHUXOLTWIREW-SDBXPKJASA-N 1 0 323.305 0.512 20 5 DCBDRO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[C@H]1[NH3+] ZINC000592545788 397207839 /nfs/dbraw/zinc/20/78/39/397207839.db2.gz WRUZRNVOYVFYFY-ZYHUDNBSSA-N 1 0 308.338 0.342 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000592551606 397210151 /nfs/dbraw/zinc/21/01/51/397210151.db2.gz WYTMFEIYUTYWNZ-ZDUSSCGKSA-N 1 0 321.333 0.880 20 5 DCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592568728 397219723 /nfs/dbraw/zinc/21/97/23/397219723.db2.gz XMZVGDKNDGQVTI-GHMZBOCLSA-N 1 0 322.365 0.957 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2Cc3ccccc3O2)c1 ZINC000390964171 397304002 /nfs/dbraw/zinc/30/40/02/397304002.db2.gz LXKRGCOHZQLPNU-ZIAGYGMSSA-N 1 0 318.333 0.746 20 5 DCBDRO O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914406 397307796 /nfs/dbraw/zinc/30/77/96/397307796.db2.gz CJDPMKIMVLZQDY-JTQLQIEISA-N 1 0 306.322 0.649 20 5 DCBDRO C[N@@H+]1CC[C@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598593854 397254300 /nfs/dbraw/zinc/25/43/00/397254300.db2.gz XNMHMJXOBXAQEU-LLVKDONJSA-N 1 0 322.369 0.585 20 5 DCBDRO CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[N@H+](C)C1 ZINC000592832195 397260450 /nfs/dbraw/zinc/26/04/50/397260450.db2.gz SUAUVWMGSLVCKX-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO C[NH2+]C1(CNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CCC1 ZINC000598632194 397264635 /nfs/dbraw/zinc/26/46/35/397264635.db2.gz ASBCNCFZWWORQF-UHFFFAOYSA-N 1 0 314.367 0.796 20 5 DCBDRO COc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000578787549 397486988 /nfs/dbraw/zinc/48/69/88/397486988.db2.gz SCGFXEQGWBPVOI-NWDGAFQWSA-N 1 0 320.349 0.347 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000578910965 397501861 /nfs/dbraw/zinc/50/18/61/397501861.db2.gz YUKYIJDRYUMULD-INIZCTEOSA-N 1 0 319.361 0.710 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000600000157 397559627 /nfs/dbraw/zinc/55/96/27/397559627.db2.gz PUFJPYWKALWHEY-GDGBQDQQSA-N 1 0 307.354 0.902 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000599931532 397542808 /nfs/dbraw/zinc/54/28/08/397542808.db2.gz DHHWTKWBXLZBBX-GFCCVEGCSA-N 1 0 308.338 0.725 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C[C@@H]1O ZINC000579971015 397601796 /nfs/dbraw/zinc/60/17/96/397601796.db2.gz RMUSUJIKEICFKQ-QWRGUYRKSA-N 1 0 323.305 0.070 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+](CC2CC2)CC1 ZINC000604249400 397635008 /nfs/dbraw/zinc/63/50/08/397635008.db2.gz LDPPPPITKRAADC-UHFFFAOYSA-N 1 0 308.342 0.177 20 5 DCBDRO Cn1cc(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000604558620 397643679 /nfs/dbraw/zinc/64/36/79/397643679.db2.gz JHBSYHUOBMJURW-CYBMUJFWSA-N 1 0 306.322 0.858 20 5 DCBDRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000609881548 397795428 /nfs/dbraw/zinc/79/54/28/397795428.db2.gz WMFOESSASPDKOY-NWDGAFQWSA-N 1 0 319.365 0.954 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000609977524 397799363 /nfs/dbraw/zinc/79/93/63/397799363.db2.gz QIDHSZCWKHZHKH-LBPRGKRZSA-N 1 0 322.369 0.663 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000610447936 397821948 /nfs/dbraw/zinc/82/19/48/397821948.db2.gz WGSGYZQKXCBRGB-HNNXBMFYSA-N 1 0 323.397 0.978 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000234812631 286249851 /nfs/dbraw/zinc/24/98/51/286249851.db2.gz PEDLKWSYYQBZQN-WPRPVWTQSA-N 1 0 315.351 0.571 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000067273315 158039079 /nfs/dbraw/zinc/03/90/79/158039079.db2.gz WMKVMLFOCMSPMQ-UHFFFAOYSA-N 1 0 310.354 0.701 20 5 DCBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000122746755 158223618 /nfs/dbraw/zinc/22/36/18/158223618.db2.gz JHMUJJDCKFUXTD-QMMMGPOBSA-N 1 0 303.315 0.716 20 5 DCBDRO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000124289780 158239854 /nfs/dbraw/zinc/23/98/54/158239854.db2.gz CQFJXKWTTQGZRJ-LLVKDONJSA-N 1 0 310.358 0.423 20 5 DCBDRO CC[C@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000133556900 158320387 /nfs/dbraw/zinc/32/03/87/158320387.db2.gz GGGKEAIKWIKQPZ-RISCZKNCSA-N 1 0 311.338 0.578 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000165631987 158364725 /nfs/dbraw/zinc/36/47/25/158364725.db2.gz XYTRVRQDIFLMMY-JTQLQIEISA-N 1 0 315.351 0.251 20 5 DCBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261941465 158756880 /nfs/dbraw/zinc/75/68/80/158756880.db2.gz UTZBJCBRGOLXDR-ZDUSSCGKSA-N 1 0 322.340 0.854 20 5 DCBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NCC2=CC[NH2+]CC2)c1 ZINC000193388758 287060518 /nfs/dbraw/zinc/06/05/18/287060518.db2.gz VHURZININKOKPF-UHFFFAOYSA-N 1 0 311.363 0.934 20 5 DCBDRO [NH3+]CCOc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000342623573 415231469 /nfs/dbraw/zinc/23/14/69/415231469.db2.gz VYOAJURIPHNOMU-UHFFFAOYSA-N 1 0 306.282 0.163 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353399880 415530298 /nfs/dbraw/zinc/53/02/98/415530298.db2.gz CKWBCWMCDWBTCE-NSHDSACASA-N 1 0 308.342 0.034 20 5 DCBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000280823588 415544568 /nfs/dbraw/zinc/54/45/68/415544568.db2.gz YJAFWVBYEPYEKT-NSHDSACASA-N 1 0 324.385 0.871 20 5 DCBDRO CC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000343383243 415583529 /nfs/dbraw/zinc/58/35/29/415583529.db2.gz HQZINXBREVMBCV-ZIAGYGMSSA-N 1 0 312.370 0.947 20 5 DCBDRO CO[C@H](C[NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290120780 415766508 /nfs/dbraw/zinc/76/65/08/415766508.db2.gz ZJOTUPALAFGPSS-CQSZACIVSA-N 1 0 323.349 0.938 20 5 DCBDRO COc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000336855784 415837137 /nfs/dbraw/zinc/83/71/37/415837137.db2.gz ZFSIKECZJBPSJO-SNVBAGLBSA-N 1 0 307.306 0.840 20 5 DCBDRO CC[C@H](C)[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000297200618 415958211 /nfs/dbraw/zinc/95/82/11/415958211.db2.gz GNZCOBKJKXZSSQ-LBPRGKRZSA-N 1 0 324.385 0.917 20 5 DCBDRO CCCc1n[nH]c(C(=O)NC[C@@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000153325834 415978838 /nfs/dbraw/zinc/97/88/38/415978838.db2.gz YCKSBGDSOAELFG-CYBMUJFWSA-N 1 0 313.358 0.313 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000338540864 416107741 /nfs/dbraw/zinc/10/77/41/416107741.db2.gz RUVKVEDIUPKPAJ-OAHLLOKOSA-N 1 0 323.349 0.790 20 5 DCBDRO CN(CC[NH+](C)C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000175702636 416112380 /nfs/dbraw/zinc/11/23/80/416112380.db2.gz XIHYFNKSLFETSN-UHFFFAOYSA-N 1 0 301.368 0.918 20 5 DCBDRO C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CC(C)(C)O ZINC000331288010 416302127 /nfs/dbraw/zinc/30/21/27/416302127.db2.gz IFTWCPJSCQBMPA-NSHDSACASA-N 1 0 311.386 0.605 20 5 DCBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000193892434 416319964 /nfs/dbraw/zinc/31/99/64/416319964.db2.gz LIBDPEHXMRKVEK-LBPRGKRZSA-N 1 0 318.337 0.605 20 5 DCBDRO C[NH+](C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000193892452 416320370 /nfs/dbraw/zinc/32/03/70/416320370.db2.gz LIBDPEHXMRKVEK-GFCCVEGCSA-N 1 0 318.337 0.605 20 5 DCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415551512 416347261 /nfs/dbraw/zinc/34/72/61/416347261.db2.gz DQWKUSVLCBHWTI-DTWKUNHWSA-N 1 0 324.312 0.881 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415677959 416350992 /nfs/dbraw/zinc/35/09/92/416350992.db2.gz VQCYFFCGXDKIEJ-AOOOYVTPSA-N 1 0 304.306 0.211 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000415783842 416353892 /nfs/dbraw/zinc/35/38/92/416353892.db2.gz DOYOGGMNBKFLIW-UHFFFAOYSA-N 1 0 306.322 0.790 20 5 DCBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000419807101 416413604 /nfs/dbraw/zinc/41/36/04/416413604.db2.gz FXLRQIONLPTBPZ-UHFFFAOYSA-N 1 0 324.312 0.883 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@H]3C[NH2+]C[C@@H]3O)n2)cc1 ZINC000420259540 416417936 /nfs/dbraw/zinc/41/79/36/416417936.db2.gz YUJYMTFYVZMFEI-KOLCDFICSA-N 1 0 305.294 0.637 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@H]3C[NH2+]CCO3)n2)cc1 ZINC000420276776 416417943 /nfs/dbraw/zinc/41/79/43/416417943.db2.gz HGMKHSWDAMBVLS-LLVKDONJSA-N 1 0 305.294 1.045 20 5 DCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000428766574 287330426 /nfs/dbraw/zinc/33/04/26/287330426.db2.gz OCMSQNDREKERJZ-NSHDSACASA-N 1 0 308.338 0.215 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NCC[NH+]2CCC2)ccc1[N+](=O)[O-] ZINC000360624790 416400263 /nfs/dbraw/zinc/40/02/63/416400263.db2.gz IJNQOHXDHNCAJF-UHFFFAOYSA-N 1 0 320.349 0.455 20 5 DCBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C(N)=O)CC1 ZINC000361585424 416456156 /nfs/dbraw/zinc/45/61/56/416456156.db2.gz IHIRMERBNXALEA-VIFPVBQESA-N 1 0 306.322 0.919 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423649483 416537084 /nfs/dbraw/zinc/53/70/84/416537084.db2.gz SSHGSDTUVOKNMN-KWBADKCTSA-N 1 0 320.349 0.661 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000423717427 416545749 /nfs/dbraw/zinc/54/57/49/416545749.db2.gz JVJGBIUAQVKITE-LLVKDONJSA-N 1 0 322.365 0.627 20 5 DCBDRO C[NH+](C)C1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000537120987 416552908 /nfs/dbraw/zinc/55/29/08/416552908.db2.gz UAQCNCOCQBCUKZ-UHFFFAOYSA-N 1 0 307.306 0.752 20 5 DCBDRO Nc1nccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000594236399 416558369 /nfs/dbraw/zinc/55/83/69/416558369.db2.gz NVNIUWZNYFMLBE-NXEZZACHSA-N 1 0 305.338 0.929 20 5 DCBDRO COC(=O)c1cc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC000423983610 416599065 /nfs/dbraw/zinc/59/90/65/416599065.db2.gz AMLGIOJVAOGBMF-LBPRGKRZSA-N 1 0 323.305 0.100 20 5 DCBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1C ZINC000424007850 416604102 /nfs/dbraw/zinc/60/41/02/416604102.db2.gz VMLJEFCFNHZUAS-LLVKDONJSA-N 1 0 309.322 0.630 20 5 DCBDRO CC[N@H+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000439073884 416606644 /nfs/dbraw/zinc/60/66/44/416606644.db2.gz CPIOSGIJSQWCOD-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO [NH3+]C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423891738 416581617 /nfs/dbraw/zinc/58/16/17/416581617.db2.gz BTOAXFFKCCPUMF-CYBMUJFWSA-N 1 0 303.322 0.650 20 5 DCBDRO COCC1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000514863630 416680311 /nfs/dbraw/zinc/68/03/11/416680311.db2.gz GJXZAJNXTYIJDE-UHFFFAOYSA-N 1 0 322.365 0.923 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@@H](O)C(F)F)cc1 ZINC000518770473 416873477 /nfs/dbraw/zinc/87/34/77/416873477.db2.gz UXZWGJWYPOZCQQ-SNVBAGLBSA-N 1 0 324.305 0.584 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000445548784 416891999 /nfs/dbraw/zinc/89/19/99/416891999.db2.gz MBIYIRLWFHWGGK-RKDXNWHRSA-N 1 0 317.371 0.359 20 5 DCBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000373392432 416956104 /nfs/dbraw/zinc/95/61/04/416956104.db2.gz LYKARURZVKDEAL-CYBMUJFWSA-N 1 0 320.397 0.990 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000429234073 416956591 /nfs/dbraw/zinc/95/65/91/416956591.db2.gz OBGFBSTYFSXEQP-LLVKDONJSA-N 1 0 322.365 0.686 20 5 DCBDRO CNc1nccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000565181880 416939313 /nfs/dbraw/zinc/93/93/13/416939313.db2.gz NXZWGRNNLOTLEV-NWDGAFQWSA-N 1 0 319.365 1.388 20 5 DCBDRO COc1ccc(NC(=O)CN2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430595022 417046693 /nfs/dbraw/zinc/04/66/93/417046693.db2.gz WXQNRANVKPRPAV-SNVBAGLBSA-N 1 0 308.338 0.965 20 5 DCBDRO [NH3+]C[C@@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430940860 417087043 /nfs/dbraw/zinc/08/70/43/417087043.db2.gz RVDCLWVKLFGAHD-VIFPVBQESA-N 1 0 322.321 0.543 20 5 DCBDRO CSc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000449704344 417168307 /nfs/dbraw/zinc/16/83/07/417168307.db2.gz VNGXHVNWQUCLNA-LLVKDONJSA-N 1 0 324.406 0.950 20 5 DCBDRO CNc1nccc(C(=O)NCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000568781624 417178273 /nfs/dbraw/zinc/17/82/73/417178273.db2.gz ORNZZUXQDYSDGH-UHFFFAOYSA-N 1 0 321.381 1.493 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000449698021 417166453 /nfs/dbraw/zinc/16/64/53/417166453.db2.gz MXZIXSONGLNXHN-LLVKDONJSA-N 1 0 307.354 0.027 20 5 DCBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000449701313 417167057 /nfs/dbraw/zinc/16/70/57/417167057.db2.gz BTXUZAPDFLVLRW-LBPRGKRZSA-N 1 0 322.365 0.892 20 5 DCBDRO CCOc1ncccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569685979 417283651 /nfs/dbraw/zinc/28/36/51/417283651.db2.gz BOVRDLUIEDOEIQ-ZDUSSCGKSA-N 1 0 321.337 0.736 20 5 DCBDRO O=C1CNC(=O)N1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569744160 417288742 /nfs/dbraw/zinc/28/87/42/417288742.db2.gz RSVYLJKBBSSVFM-NSHDSACASA-N 1 0 304.306 0.724 20 5 DCBDRO Cc1nc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450468419 417232403 /nfs/dbraw/zinc/23/24/03/417232403.db2.gz GCCNGFYSFCKXNX-SNVBAGLBSA-N 1 0 309.370 0.975 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000415299967 417360372 /nfs/dbraw/zinc/36/03/72/417360372.db2.gz NNPZTWOOTFIHOO-LLVKDONJSA-N 1 0 320.349 0.970 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)CC(C)(C)C ZINC000451780207 417399150 /nfs/dbraw/zinc/39/91/50/417399150.db2.gz MTBAUURHOSYGFP-AAEUAGOBSA-N 1 0 314.386 0.881 20 5 DCBDRO C[C@@H](CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000451938281 417418737 /nfs/dbraw/zinc/41/87/37/417418737.db2.gz VCLAUCYQVPGWFQ-JTQLQIEISA-N 1 0 301.368 0.964 20 5 DCBDRO CN(C)C(=O)N[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451994630 417428840 /nfs/dbraw/zinc/42/88/40/417428840.db2.gz OEHNLWMTMLFGJA-NSHDSACASA-N 1 0 310.358 0.527 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000415348978 417371420 /nfs/dbraw/zinc/37/14/20/417371420.db2.gz WIKMXKPORIYSMU-SECBINFHSA-N 1 0 322.321 0.362 20 5 DCBDRO Cn1c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452376953 417476911 /nfs/dbraw/zinc/47/69/11/417476911.db2.gz PPSWTTNWDYYUBS-LLVKDONJSA-N 1 0 310.354 0.510 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000576467312 417611938 /nfs/dbraw/zinc/61/19/38/417611938.db2.gz WQAXXCSQZORCSC-CHWSQXEVSA-N 1 0 312.395 0.980 20 5 DCBDRO C[NH+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000298073292 227828327 /nfs/dbraw/zinc/82/83/27/227828327.db2.gz JQVPGXQLRWZVMY-UHFFFAOYSA-N 1 0 314.729 0.865 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299286019 229029617 /nfs/dbraw/zinc/02/96/17/229029617.db2.gz GDSNJABRTLEDTR-RYUDHWBXSA-N 1 0 307.354 0.843 20 5 DCBDRO CNC(=O)C1C[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000184784917 261119714 /nfs/dbraw/zinc/11/97/14/261119714.db2.gz VCAOZYUEUIMFLU-GFCCVEGCSA-N 1 0 309.322 0.012 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358065580 261625194 /nfs/dbraw/zinc/62/51/94/261625194.db2.gz LWRMSJWOJLNFPY-AWEZNQCLSA-N 1 0 309.322 0.400 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370790089 262151051 /nfs/dbraw/zinc/15/10/51/262151051.db2.gz YRFOQEQEQKNKRS-UHFFFAOYSA-N 1 0 307.354 0.843 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000394074003 262161655 /nfs/dbraw/zinc/16/16/55/262161655.db2.gz CQLDQBLZTUALJG-FWWRYZNZSA-N 1 0 304.350 0.628 20 5 DCBDRO CC(C)(CN1CCOCC1)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000411997349 262178509 /nfs/dbraw/zinc/17/85/09/262178509.db2.gz HTDFNIDKQHGGLF-UHFFFAOYSA-N 1 0 324.381 0.457 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419121483 262310357 /nfs/dbraw/zinc/31/03/57/262310357.db2.gz ASLBYRQBOWFWIX-WDEREUQCSA-N 1 0 320.349 0.722 20 5 DCBDRO C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419132256 262311961 /nfs/dbraw/zinc/31/19/61/262311961.db2.gz DTPUWWZFOVDPIF-CABZTGNLSA-N 1 0 320.349 0.626 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419152934 262313589 /nfs/dbraw/zinc/31/35/89/262313589.db2.gz OVZVFYDSEIVULG-GHMZBOCLSA-N 1 0 320.349 0.640 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000419152982 262313701 /nfs/dbraw/zinc/31/37/01/262313701.db2.gz PEAKUJRNSVOPDE-NSHDSACASA-N 1 0 320.349 0.594 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420153584 262364281 /nfs/dbraw/zinc/36/42/81/262364281.db2.gz ZZZQNQHCAPSXTP-SNVBAGLBSA-N 1 0 308.338 0.277 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000420263614 262368297 /nfs/dbraw/zinc/36/82/97/262368297.db2.gz CEHQFZAVGDXANB-NSHDSACASA-N 1 0 308.338 0.697 20 5 DCBDRO C[NH2+][C@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420406818 262374024 /nfs/dbraw/zinc/37/40/24/262374024.db2.gz SFSNUKDVQFEVMF-LBPRGKRZSA-N 1 0 313.379 0.761 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCC[NH2+]C ZINC000428115307 262577065 /nfs/dbraw/zinc/57/70/65/262577065.db2.gz KTEOZPAOKDBGSL-SNVBAGLBSA-N 1 0 312.374 0.553 20 5 DCBDRO CNc1c(C(=O)NC[C@H]2CN3CCN2CC3)cccc1[N+](=O)[O-] ZINC000360943876 271168192 /nfs/dbraw/zinc/16/81/92/271168192.db2.gz KIHOFPNIMREXSH-NSHDSACASA-N 1 0 319.365 0.366 20 5 DCBDRO CO[C@@](C)([C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000411946990 271234127 /nfs/dbraw/zinc/23/41/27/271234127.db2.gz LWJBPQQBQHTWGV-BPNCWPANSA-N 1 0 312.370 0.945 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418875711 271260624 /nfs/dbraw/zinc/26/06/24/271260624.db2.gz XFJIXCHTQCXRCZ-UHFFFAOYSA-N 1 0 322.365 0.369 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419033438 271270010 /nfs/dbraw/zinc/27/00/10/271270010.db2.gz CEXVJVJOKNAWAQ-LBPRGKRZSA-N 1 0 320.349 0.203 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000419044462 271270088 /nfs/dbraw/zinc/27/00/88/271270088.db2.gz UEVMDMNEICXEAM-GFCCVEGCSA-N 1 0 320.349 0.203 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419866216 271336313 /nfs/dbraw/zinc/33/63/13/271336313.db2.gz PWGFGCKXOQROAK-LBPRGKRZSA-N 1 0 320.349 0.407 20 5 DCBDRO COc1cc(C(=O)NCCN2CC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC000422736508 271382156 /nfs/dbraw/zinc/38/21/56/271382156.db2.gz GJDAAEAJRYTKMJ-UHFFFAOYSA-N 1 0 322.365 0.547 20 5 DCBDRO COC(=O)c1cc(C(=O)NC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000422787839 271385002 /nfs/dbraw/zinc/38/50/02/271385002.db2.gz QOJNMORTTCCZQO-LLVKDONJSA-N 1 0 307.306 0.863 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NCC[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000422794123 271387361 /nfs/dbraw/zinc/38/73/61/271387361.db2.gz YQOMCLSSJKSMON-JTQLQIEISA-N 1 0 308.338 0.487 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491237967 272092743 /nfs/dbraw/zinc/09/27/43/272092743.db2.gz UFPLIELTQLXZMX-DAXSKMNVSA-N 1 0 318.377 0.972 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000493191752 272174684 /nfs/dbraw/zinc/17/46/84/272174684.db2.gz CKFRPFPWYCGUPQ-SWICKSTGSA-N 1 0 305.334 0.741 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493396891 272186161 /nfs/dbraw/zinc/18/61/61/272186161.db2.gz YXKOHJZWIIKWBM-MASHWEEQSA-N 1 0 322.340 0.767 20 5 DCBDRO CC(C)(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000494878804 272233819 /nfs/dbraw/zinc/23/38/19/272233819.db2.gz PONJCGIGVJIYCS-ZYHUDNBSSA-N 1 0 307.354 0.737 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C)C1 ZINC000192800179 274271427 /nfs/dbraw/zinc/27/14/27/274271427.db2.gz PPPFZLBHIDTBTL-WDEREUQCSA-N 1 0 320.353 0.529 20 5 DCBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000269246189 288021957 /nfs/dbraw/zinc/02/19/57/288021957.db2.gz ZPTINIOJFFNICG-SECBINFHSA-N 1 0 307.306 0.800 20 5 DCBDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000262776173 278250705 /nfs/dbraw/zinc/25/07/05/278250705.db2.gz NQEJCZSZULJKDB-QMMMGPOBSA-N 1 0 310.335 0.769 20 5 DCBDRO CC[NH+]1CCN(C[C@@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000547764226 288076742 /nfs/dbraw/zinc/07/67/42/288076742.db2.gz JALAMVPPVQDYNX-NSHDSACASA-N 1 0 324.385 0.321 20 5 DCBDRO CC[NH+](CC)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000353959056 279128256 /nfs/dbraw/zinc/12/82/56/279128256.db2.gz CDFJBYCCZLJHIP-NSHDSACASA-N 1 0 310.354 0.603 20 5 DCBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000563097677 288629566 /nfs/dbraw/zinc/62/95/66/288629566.db2.gz YDHNKDANDSLGQB-NWDGAFQWSA-N 1 0 323.353 0.332 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cn(CCC2CC[NH2+]CC2)c1=O ZINC000563881419 288710888 /nfs/dbraw/zinc/71/08/88/288710888.db2.gz WTDRLNBDNZUYID-UHFFFAOYSA-N 1 0 309.322 0.933 20 5 DCBDRO CN1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000564724200 288762422 /nfs/dbraw/zinc/76/24/22/288762422.db2.gz ZAHFZSIOZIEBLM-MNOVXSKESA-N 1 0 309.322 0.155 20 5 DCBDRO C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261822946 289040796 /nfs/dbraw/zinc/04/07/96/289040796.db2.gz UCFOJBGSNZVUFK-VXNVDRBHSA-N 1 0 303.315 0.844 20 5 DCBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C[NH+]1CCCC1 ZINC000126417108 289640611 /nfs/dbraw/zinc/64/06/11/289640611.db2.gz WQCAEPXSSHBQQU-GFCCVEGCSA-N 1 0 322.365 0.605 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000158042861 295301821 /nfs/dbraw/zinc/30/18/21/295301821.db2.gz GJAXCUJKOPGMLY-LLVKDONJSA-N 1 0 321.333 0.858 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822602 300220262 /nfs/dbraw/zinc/22/02/62/300220262.db2.gz STUATXDBNKFUDL-GXSJLCMTSA-N 1 0 307.354 0.865 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000583619233 335830853 /nfs/dbraw/zinc/83/08/53/335830853.db2.gz CLXMTDBZIAAGGB-HNNXBMFYSA-N 1 0 320.349 0.485 20 5 DCBDRO CC(C)(C)C[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393527877 337092872 /nfs/dbraw/zinc/09/28/72/337092872.db2.gz UUHUNBMHWLEWOJ-PWSUYJOCSA-N 1 0 300.359 0.539 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000582534405 337106151 /nfs/dbraw/zinc/10/61/51/337106151.db2.gz UXAYFLCENQIPJM-UHFFFAOYSA-N 1 0 324.337 0.739 20 5 DCBDRO O=c1ccc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000583020098 337225647 /nfs/dbraw/zinc/22/56/47/337225647.db2.gz MYEZQAFBSBEMFM-LBPRGKRZSA-N 1 0 320.305 0.620 20 5 DCBDRO C[C@H]1C[C@H](C[NH3+])CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000583084018 337237488 /nfs/dbraw/zinc/23/74/88/337237488.db2.gz RHTMXAPMRDGTGP-DTWKUNHWSA-N 1 0 300.340 0.348 20 5 DCBDRO COC[C@]1(CNC(=O)c2c(N)cccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000576637891 341856437 /nfs/dbraw/zinc/85/64/37/341856437.db2.gz JOOSHWPOQPCMHG-CQSZACIVSA-N 1 0 308.338 0.675 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@H](O)COc2ccccc2)c1 ZINC000576749136 341861430 /nfs/dbraw/zinc/86/14/30/341861430.db2.gz NDKMPGQTFAJHIV-ZDUSSCGKSA-N 1 0 306.322 0.821 20 5 DCBDRO C[NH2+]CCC(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000262279231 521979982 /nfs/dbraw/zinc/97/99/82/521979982.db2.gz WVSPUUIOIANGIG-UHFFFAOYSA-N 1 0 311.338 0.880 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237550498 525345336 /nfs/dbraw/zinc/34/53/36/525345336.db2.gz CQWPKPJTHBSKKH-KOLCDFICSA-N 1 0 306.322 0.273 20 5 DCBDRO Cc1cc(S(=O)(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000154226066 525406927 /nfs/dbraw/zinc/40/69/27/525406927.db2.gz XVKPCSADLDDDMX-UHFFFAOYSA-N 1 0 305.331 0.882 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000237852689 527410993 /nfs/dbraw/zinc/41/09/93/527410993.db2.gz PXDIOBNNWYCQRQ-VIFPVBQESA-N 1 0 302.294 0.349 20 5 DCBDRO C[C@]1(C2CC2)COCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934480591 658439924 /nfs/dbraw/zinc/43/99/24/658439924.db2.gz DHKWWSYRQNKADM-UONOGXRCSA-N 1 0 310.354 0.653 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064048 658818278 /nfs/dbraw/zinc/81/82/78/658818278.db2.gz SETOUIZBJWYPMM-YVECIDJPSA-N 1 0 308.313 0.623 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001022115136 658874553 /nfs/dbraw/zinc/87/45/53/658874553.db2.gz DDUZJLSCYGXROF-PHIMTYICSA-N 1 0 318.337 0.707 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cocn2)C1 ZINC001020025542 659658089 /nfs/dbraw/zinc/65/80/89/659658089.db2.gz SJWUXVFTMVECAE-KYZUINATSA-N 1 0 320.309 0.367 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000841162195 661664748 /nfs/dbraw/zinc/66/47/48/661664748.db2.gz XYVXAAJMQSIKPQ-QMMMGPOBSA-N 1 0 324.312 0.801 20 5 DCBDRO CC(C)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000983186636 661778002 /nfs/dbraw/zinc/77/80/02/661778002.db2.gz WWDOHIZWKPBBJB-XYPYZODXSA-N 1 0 309.370 0.969 20 5 DCBDRO O=C1NCC2(CCOCC2)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000895773226 662214888 /nfs/dbraw/zinc/21/48/88/662214888.db2.gz PNEIZJPCMULMGS-ZDUSSCGKSA-N 1 0 305.334 0.980 20 5 DCBDRO CN1CCOC[C@@]1(CO)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903277217 663451386 /nfs/dbraw/zinc/45/13/86/663451386.db2.gz FCBIPFAMAGGUEV-ZBFHGGJFSA-N 1 0 321.377 0.865 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000903874779 663491110 /nfs/dbraw/zinc/49/11/10/663491110.db2.gz JTGXLALWOBYJHC-LBPRGKRZSA-N 1 0 322.365 0.762 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000903875575 663491454 /nfs/dbraw/zinc/49/14/54/663491454.db2.gz QZKRCTFSWUAZGT-ZDUSSCGKSA-N 1 0 322.365 0.762 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)cc(CN2CC[NH2+]CC[NH2+]CC2)c1[O-] ZINC000904398436 663513215 /nfs/dbraw/zinc/51/32/15/663513215.db2.gz PIDPHDSNKWTZAB-UHFFFAOYSA-N 1 0 314.773 0.949 20 5 DCBDRO O=[N+]([O-])CC[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000905112429 663531761 /nfs/dbraw/zinc/53/17/61/663531761.db2.gz ZHQWCACTJYZHRT-UHFFFAOYSA-N 1 0 319.305 0.414 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911694381 664100979 /nfs/dbraw/zinc/10/09/79/664100979.db2.gz WCQQUDDOWWSSAC-HUUCEWRRSA-N 1 0 318.377 0.720 20 5 DCBDRO CC(C)(C(=O)N1CC([NH+]2CCCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000912324234 664162495 /nfs/dbraw/zinc/16/24/95/664162495.db2.gz ALWHPKJEZVYNOG-UHFFFAOYSA-N 1 0 307.354 0.833 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000912612475 664196011 /nfs/dbraw/zinc/19/60/11/664196011.db2.gz QCOMRNZRLSIZKM-VMPITWQZSA-N 1 0 307.350 0.991 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912919692 664245309 /nfs/dbraw/zinc/24/53/09/664245309.db2.gz MUWNJLZEDCWOFQ-GFCCVEGCSA-N 1 0 307.354 0.796 20 5 DCBDRO C[C@]1(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]C1 ZINC000230736322 664623672 /nfs/dbraw/zinc/62/36/72/664623672.db2.gz LFPIRSGWLLQNGW-NSHDSACASA-N 1 0 303.315 0.764 20 5 DCBDRO C[NH+](C)CCNC(=S)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000731570497 664871919 /nfs/dbraw/zinc/87/19/19/664871919.db2.gz QAQCKMMAHNXOGO-UHFFFAOYSA-N 1 0 312.395 0.999 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000732049795 664898625 /nfs/dbraw/zinc/89/86/25/664898625.db2.gz ABKQDLHABHFOFY-NSHDSACASA-N 1 0 304.354 0.900 20 5 DCBDRO COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc1 ZINC001031662103 665273628 /nfs/dbraw/zinc/27/36/28/665273628.db2.gz VARCAVSBDMOMOC-HUUCEWRRSA-N 1 0 319.361 0.908 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997773908 665337518 /nfs/dbraw/zinc/33/75/18/665337518.db2.gz YWUJCGCBHNURIJ-VXGBXAGGSA-N 1 0 309.326 0.063 20 5 DCBDRO Cc1ncoc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002789067 666219624 /nfs/dbraw/zinc/21/96/24/666219624.db2.gz RTODKVRGPFCOPA-VXGBXAGGSA-N 1 0 308.338 0.729 20 5 DCBDRO CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428399 666790441 /nfs/dbraw/zinc/79/04/41/666790441.db2.gz BEZLSHUUBGJXIK-CHWSQXEVSA-N 1 0 322.369 0.044 20 5 DCBDRO CO[C@H]1C[N@H+](C)[C@@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345411 666920280 /nfs/dbraw/zinc/92/02/80/666920280.db2.gz TZNXCEBKFKRRRJ-ZWNOBZJWSA-N 1 0 312.326 0.444 20 5 DCBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000861344915 666920673 /nfs/dbraw/zinc/92/06/73/666920673.db2.gz VVOOCRLFQMILIE-YPMHNXCESA-N 1 0 312.326 0.444 20 5 DCBDRO Cc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c(N)c([N+](=O)[O-])c1 ZINC000863831624 667187362 /nfs/dbraw/zinc/18/73/62/667187362.db2.gz LOXNUNZTPHKQDT-JTQLQIEISA-N 1 0 308.338 0.282 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[C@@H]3OCC[NH2+][C@H]3C2)c1 ZINC000923385015 667522265 /nfs/dbraw/zinc/52/22/65/667522265.db2.gz SGHLPYPACKYNOL-ZNMIVQPWSA-N 1 0 307.350 0.691 20 5 DCBDRO CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)[C@H](C[NH3+])C1 ZINC000124301237 667950981 /nfs/dbraw/zinc/95/09/81/667950981.db2.gz AXLZZTQLDCTKIU-SNVBAGLBSA-N 1 0 312.757 0.963 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889764668 667993334 /nfs/dbraw/zinc/99/33/34/667993334.db2.gz SUPCNPSILUWLSP-ZIAGYGMSSA-N 1 0 320.349 0.661 20 5 DCBDRO C[C@H](CN1CCOCC1)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876932305 668538200 /nfs/dbraw/zinc/53/82/00/668538200.db2.gz JFYCWGYSYMJEBF-PNESKVBLSA-N 1 0 309.370 0.805 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000782615823 669111563 /nfs/dbraw/zinc/11/15/63/669111563.db2.gz GXMFFORZOHIDIK-KYOSRNDESA-N 1 0 308.334 0.649 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000932902582 669436181 /nfs/dbraw/zinc/43/61/81/669436181.db2.gz FQTLFROFKGWPLH-GFCCVEGCSA-N 1 0 309.370 0.900 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801950633 670146839 /nfs/dbraw/zinc/14/68/39/670146839.db2.gz YAGWFASKTIZANE-ZDUSSCGKSA-N 1 0 312.301 0.113 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000804346745 670291162 /nfs/dbraw/zinc/29/11/62/670291162.db2.gz QTISBAKCZWXXRI-UHFFFAOYSA-N 1 0 307.354 0.387 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000808217352 670399786 /nfs/dbraw/zinc/39/97/86/670399786.db2.gz BEVHPMNIKKZBMW-JTQLQIEISA-N 1 0 308.338 0.364 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000854467872 670573190 /nfs/dbraw/zinc/57/31/90/670573190.db2.gz ZTJRXBVEJAYWPF-SECBINFHSA-N 1 0 315.301 0.151 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857764050 670945715 /nfs/dbraw/zinc/94/57/15/670945715.db2.gz FWFJEMHHYYMMPJ-URLYPYJESA-N 1 0 313.260 0.900 20 5 DCBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818362415 671008163 /nfs/dbraw/zinc/00/81/63/671008163.db2.gz WGDXUPLRHAGKTB-GZMMTYOYSA-N 1 0 306.322 0.975 20 5 DCBDRO [NH3+]CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](O)CO ZINC000852753832 671157204 /nfs/dbraw/zinc/15/72/04/671157204.db2.gz JASLDSTWIOGJNI-LLVKDONJSA-N 1 0 303.746 0.362 20 5 DCBDRO O=C1OC[C@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000860165535 671186138 /nfs/dbraw/zinc/18/61/38/671186138.db2.gz XJCXBTDAHHNFIK-GRYCIOLGSA-N 1 0 322.317 0.439 20 5 DCBDRO O=C(Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840461096 671269484 /nfs/dbraw/zinc/26/94/84/671269484.db2.gz BMROTAKGMHFDOQ-MGPQQGTHSA-N 1 0 305.334 0.857 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000823791150 671409182 /nfs/dbraw/zinc/40/91/82/671409182.db2.gz YAOUJDFWHFNBKN-NEPJUHHUSA-N 1 0 307.354 0.510 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000826928524 671506465 /nfs/dbraw/zinc/50/64/65/671506465.db2.gz PXLVHWQVVWLKFH-UHFFFAOYSA-N 1 0 307.354 0.796 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000841147582 671915354 /nfs/dbraw/zinc/91/53/54/671915354.db2.gz KVTXVBKQXVAHQW-MRVPVSSYSA-N 1 0 310.285 0.540 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCCO1 ZINC000842511375 672015605 /nfs/dbraw/zinc/01/56/05/672015605.db2.gz ZAPIRHNTBYVYIH-GFCCVEGCSA-N 1 0 324.293 0.693 20 5 DCBDRO CN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000842511125 672015658 /nfs/dbraw/zinc/01/56/58/672015658.db2.gz WFQGAFGFMKPBAO-UHFFFAOYSA-N 1 0 308.338 0.462 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000843068558 672058881 /nfs/dbraw/zinc/05/88/81/672058881.db2.gz HBOXSYFWRCGPQY-UONOGXRCSA-N 1 0 324.312 0.615 20 5 DCBDRO Cc1ccccc1[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843072087 672058957 /nfs/dbraw/zinc/05/89/57/672058957.db2.gz AAVUTOPCXCKYNI-HIFRSBDPSA-N 1 0 320.349 0.784 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)[C@H]2CCOC2)cc1 ZINC000843110085 672062219 /nfs/dbraw/zinc/06/22/19/672062219.db2.gz BDIRVPSNNUQLJJ-GZBFAFLISA-N 1 0 310.350 0.863 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843337792 672084259 /nfs/dbraw/zinc/08/42/59/672084259.db2.gz AALMMJIZNNJVFD-UHFFFAOYSA-N 1 0 307.354 0.154 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC1)CC[NH+](CCO)CC2 ZINC000957548012 687079149 /nfs/dbraw/zinc/07/91/49/687079149.db2.gz WVLCQXTWGCMIEM-CHWSQXEVSA-N 1 0 311.382 0.349 20 5 DCBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)C[NH+](C)C ZINC001649026060 1158494246 /nfs/dbraw/zinc/49/42/46/1158494246.db2.gz MTKVUTTURGSACO-JTQLQIEISA-N 1 0 312.326 0.392 20 5 DCBDRO Cc1nc(N2CC[NH+](C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001162686108 1159087027 /nfs/dbraw/zinc/08/70/27/1159087027.db2.gz NIGSEUDEUHATPP-UHFFFAOYSA-N 1 0 307.354 0.994 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC001575441926 1164015558 /nfs/dbraw/zinc/01/55/58/1164015558.db2.gz NVDUZSNCVJMDHH-AWEZNQCLSA-N 1 0 322.365 0.701 20 5 DCBDRO CC1(C)C[NH2+]C[C@@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001576473916 1164356245 /nfs/dbraw/zinc/35/62/45/1164356245.db2.gz ZMYHKMQOZWDQRN-LBPRGKRZSA-N 1 0 320.349 0.439 20 5 DCBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001576909114 1164527437 /nfs/dbraw/zinc/52/74/37/1164527437.db2.gz PIDFDSDVECXZKG-NTSWFWBYSA-N 1 0 317.733 0.814 20 5 DCBDRO CCN(CC[NH3+])C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001577721031 1164775281 /nfs/dbraw/zinc/77/52/81/1164775281.db2.gz OMFTVIHYVPNBMK-UHFFFAOYSA-N 1 0 304.310 0.596 20 5 DCBDRO CN(C[C@H]1CC[NH2+]1)C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001578457843 1165023291 /nfs/dbraw/zinc/02/32/91/1165023291.db2.gz YYXMQRKDXJJHAO-LLVKDONJSA-N 1 0 316.321 0.609 20 5 DCBDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001578942661 1165164940 /nfs/dbraw/zinc/16/49/40/1165164940.db2.gz DNKGHXKBOYWCKO-ZFWWWQNUSA-N 1 0 322.365 0.890 20 5 DCBDRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC001579120270 1165216125 /nfs/dbraw/zinc/21/61/25/1165216125.db2.gz AHNCASXFMPXSBY-DGCLKSJQSA-N 1 0 308.338 0.689 20 5 DCBDRO Cc1c(CNC(=O)NC[C@@]2(O)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC001579534908 1165340256 /nfs/dbraw/zinc/34/02/56/1165340256.db2.gz WERZIOBWLDZLGC-CQSZACIVSA-N 1 0 308.338 0.427 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC(=O)NCC12C[NH2+]C2 ZINC001579577339 1165351338 /nfs/dbraw/zinc/35/13/38/1165351338.db2.gz OKVHUACQMJPLRK-UHFFFAOYSA-N 1 0 318.333 0.126 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N(C)C2(C[NH3+])CCOCC2)n1 ZINC001579642458 1165370027 /nfs/dbraw/zinc/37/00/27/1165370027.db2.gz HHMYNQMOVKSOBK-UHFFFAOYSA-N 1 0 308.338 0.878 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CC[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC001579667927 1165373374 /nfs/dbraw/zinc/37/33/74/1165373374.db2.gz YFCXPPQDJMPCMN-JKOKRWQUSA-N 1 0 322.365 0.986 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCOC2(CC[NH2+]CC2)C1 ZINC001579877699 1165419811 /nfs/dbraw/zinc/41/98/11/1165419811.db2.gz ZDFDNDWNSCIARQ-UHFFFAOYSA-N 1 0 309.370 0.554 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001580009739 1165472091 /nfs/dbraw/zinc/47/20/91/1165472091.db2.gz ZITGKZXNAABCSY-LBPRGKRZSA-N 1 0 315.333 0.773 20 5 DCBDRO [NH3+][C@]1(CO)CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001580154750 1165522139 /nfs/dbraw/zinc/52/21/39/1165522139.db2.gz LZXBJVPIYDIGDD-IJVDHGTGSA-N 1 0 305.334 0.920 20 5 DCBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001580323320 1165571954 /nfs/dbraw/zinc/57/19/54/1165571954.db2.gz LNEJPOWGDMAVTB-QWRGUYRKSA-N 1 0 305.338 0.233 20 5 DCBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001580622438 1165663312 /nfs/dbraw/zinc/66/33/12/1165663312.db2.gz GHACWUIQTVNGHC-VIFPVBQESA-N 1 0 321.289 0.184 20 5 DCBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001580724001 1165700060 /nfs/dbraw/zinc/70/00/60/1165700060.db2.gz XRNDUUZWVBXQFG-AWEZNQCLSA-N 1 0 304.306 0.719 20 5 DCBDRO O=C1C[C@@H](Nc2nc3ccccn3c2[N+](=O)[O-])CN1C1C[NH2+]C1 ZINC001580838426 1165732202 /nfs/dbraw/zinc/73/22/02/1165732202.db2.gz QUJGBZLEPFAEIB-SECBINFHSA-N 1 0 316.321 0.227 20 5 DCBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC(=O)NCC12C[NH2+]C2 ZINC001580848884 1165736666 /nfs/dbraw/zinc/73/66/66/1165736666.db2.gz MWKUQRPZTQPEJV-UHFFFAOYSA-N 1 0 324.724 0.162 20 5 DCBDRO CCC[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[NH2+]1 ZINC001590569474 1166947137 /nfs/dbraw/zinc/94/71/37/1166947137.db2.gz SBMMKKISYKKQJP-VIFPVBQESA-N 1 0 318.341 0.748 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001597122819 1168000838 /nfs/dbraw/zinc/00/08/38/1168000838.db2.gz IQKHXHOQESPGMC-SNVBAGLBSA-N 1 0 305.722 0.014 20 5 DCBDRO C[NH+](C)C[C@H](O)CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001604680937 1169654908 /nfs/dbraw/zinc/65/49/08/1169654908.db2.gz RPUSUVQKPRKLOV-SECBINFHSA-N 1 0 307.314 0.109 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001604855357 1169711457 /nfs/dbraw/zinc/71/14/57/1169711457.db2.gz FJLLGZCZWBAGCM-ZETCQYMHSA-N 1 0 304.314 0.473 20 5 DCBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)C[NH+](C)C ZINC001609113875 1170812811 /nfs/dbraw/zinc/81/28/11/1170812811.db2.gz KNSWPNRTGNUTSA-QMMMGPOBSA-N 1 0 306.330 0.780 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001611905038 1171358331 /nfs/dbraw/zinc/35/83/31/1171358331.db2.gz CJLPOBNEZKVKHQ-SNVBAGLBSA-N 1 0 310.358 0.328 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001633185778 1171635416 /nfs/dbraw/zinc/63/54/16/1171635416.db2.gz FTZBJUMXDKKVRR-UHFFFAOYSA-N 1 0 311.342 0.222 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)n1 ZINC001635941673 1171718315 /nfs/dbraw/zinc/71/83/15/1171718315.db2.gz NGLDJORERHYYSC-VIFPVBQESA-N 1 0 309.326 0.014 20 5 DCBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)C1 ZINC001636640420 1171745265 /nfs/dbraw/zinc/74/52/65/1171745265.db2.gz VJXMLRCARDCQNU-CQSZACIVSA-N 1 0 305.338 0.740 20 5 DCBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cc([N+](=O)[O-])cnc3N)C[C@@]2(C)C1 ZINC001648020182 1173064227 /nfs/dbraw/zinc/06/42/27/1173064227.db2.gz XAODOVBDCKVUEY-GASCZTMLSA-N 1 0 319.365 0.986 20 5 DCBDRO O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NC12CC[NH+](CC1)C2 ZINC001648722037 1173079283 /nfs/dbraw/zinc/07/92/83/1173079283.db2.gz PLQZGUXULPUJQQ-UHFFFAOYSA-N 1 0 318.333 0.289 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C(C)(C)CNC(N)=O)c1[N+](=O)[O-] ZINC001653206384 1173782651 /nfs/dbraw/zinc/78/26/51/1173782651.db2.gz SONDTTKBUGRKNZ-UHFFFAOYSA-N 1 0 312.326 0.846 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](c3cnccn3)C2)c1 ZINC001655712531 1173826031 /nfs/dbraw/zinc/82/60/31/1173826031.db2.gz HJMVMCIWFGQPDK-AAEUAGOBSA-N 1 0 318.337 0.432 20 5 DCBDRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1O ZINC001659755517 1173935766 /nfs/dbraw/zinc/93/57/66/1173935766.db2.gz QWIPLYCNVAJINT-FQUUOJAGSA-N 1 0 324.381 0.634 20 5 DCBDRO NS(=O)(=O)c1ccc(C2CC[NH+](CC[N+](=O)[O-])CC2)cc1 ZINC001660376943 1173986053 /nfs/dbraw/zinc/98/60/53/1173986053.db2.gz BGCPVVLUQBLXRZ-UHFFFAOYSA-N 1 0 313.379 0.790 20 5 DCBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC[C@@H]1O ZINC001660449649 1173994555 /nfs/dbraw/zinc/99/45/55/1173994555.db2.gz SRLDCFASOWBTCR-WQAKAFBOSA-N 1 0 309.322 0.661 20 5 DCBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccnn1C ZINC001664510501 1174436195 /nfs/dbraw/zinc/43/61/95/1174436195.db2.gz MHIPDOCKJATDIO-ZIAGYGMSSA-N 1 0 323.397 0.802 20 5 DCBDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001713591456 1180949618 /nfs/dbraw/zinc/94/96/18/1180949618.db2.gz NIZHGWDMTGQCPC-VXGBXAGGSA-N 1 0 308.338 0.303 20 5 DCBDRO O=C(NCCN1CC[NH+](CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713805136 1181080582 /nfs/dbraw/zinc/08/05/82/1181080582.db2.gz AIILYFDTKCLEDX-ZIAGYGMSSA-N 1 0 310.398 0.186 20 5 DCBDRO NC(=O)C(=O)NCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001752276798 1188410955 /nfs/dbraw/zinc/41/09/55/1188410955.db2.gz BHYLKMANWJVOHH-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO COC(=O)c1cnc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357711394 719384038 /nfs/dbraw/zinc/38/40/38/719384038.db2.gz UHNQIHOAVRIXAR-RYUDHWBXSA-N 1 0 322.321 0.296 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@@H]21 ZINC001164669315 719415192 /nfs/dbraw/zinc/41/51/92/719415192.db2.gz LNIWAZZREQYZOS-RYUDHWBXSA-N 1 0 303.322 0.990 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164923545 721860078 /nfs/dbraw/zinc/86/00/78/721860078.db2.gz ASHXNNNMSWCWPR-OLZOCXBDSA-N 1 0 320.397 0.908 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001167185878 747014652 /nfs/dbraw/zinc/01/46/52/747014652.db2.gz QESZHUGORBGIHD-JVHMLUBASA-N 1 0 313.745 0.757 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc([N+](=O)[O-])c2nncn2c1 ZINC001167676304 747529373 /nfs/dbraw/zinc/52/93/73/747529373.db2.gz YCUZVZGEGBYWBZ-UHFFFAOYSA-N 1 0 300.282 0.070 20 5 DCBDRO COc1cccc(C(=O)COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001204774039 749132749 /nfs/dbraw/zinc/13/27/49/749132749.db2.gz ABBGDZFARRILTI-CYBMUJFWSA-N 1 0 310.370 0.878 20 5 DCBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC001126936401 750148580 /nfs/dbraw/zinc/14/85/80/750148580.db2.gz GAALAVSUEBEGPV-VXGBXAGGSA-N 1 0 324.312 0.135 20 5 DCBDRO C[N+](C)(C)CCCOC[C@@H]1COCCOCCOCCO1 ZINC001224622524 750153702 /nfs/dbraw/zinc/15/37/02/750153702.db2.gz HFMRCUFAGRIQNC-OAHLLOKOSA-N 1 0 306.423 0.548 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001165437952 757320851 /nfs/dbraw/zinc/32/08/51/757320851.db2.gz WETGRPOOSJYCQF-QMMMGPOBSA-N 1 0 300.702 0.594 20 5 DCBDRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168976746 760527119 /nfs/dbraw/zinc/52/71/19/760527119.db2.gz GAQYSOXHODWPAP-SRVKXCTJSA-N 1 0 305.400 0.445 20 5 DCBDRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(=O)N1CCOCC1 ZINC001168986152 760529695 /nfs/dbraw/zinc/52/96/95/760529695.db2.gz WQPLWXFDSJMBMO-IHRRRGAJSA-N 1 0 313.398 0.905 20 5 DCBDRO NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975808 760537439 /nfs/dbraw/zinc/53/74/39/760537439.db2.gz XHMSSISJLOHNSZ-OBJOEFQTSA-N 1 0 307.350 0.824 20 5 DCBDRO CCOC(=O)[C@@H]1CCOC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168991549 760538017 /nfs/dbraw/zinc/53/80/17/760538017.db2.gz HIHFTFQISRYDQI-XQHKEYJVSA-N 1 0 300.355 0.990 20 5 DCBDRO CCOC(=O)[C@@H]1CCOC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168991548 760538030 /nfs/dbraw/zinc/53/80/30/760538030.db2.gz HIHFTFQISRYDQI-RVMXOQNASA-N 1 0 300.355 0.990 20 5 DCBDRO Cc1cnc(C[NH3+])n1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001169029137 760548639 /nfs/dbraw/zinc/54/86/39/760548639.db2.gz UMMNXSZYONLDNA-UHFFFAOYSA-N 1 0 319.325 0.174 20 5 DCBDRO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)O1 ZINC001169018952 760559256 /nfs/dbraw/zinc/55/92/56/760559256.db2.gz FRTHXUIETCMLNB-DHGKCCLASA-N 1 0 311.382 0.752 20 5 DCBDRO CN1CCN(C)C2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)C1=O ZINC001169018452 760559478 /nfs/dbraw/zinc/55/94/78/760559478.db2.gz CFPQHDKSDXBTOU-KBPBESRZSA-N 1 0 324.425 0.670 20 5 DCBDRO O=C(CN1CCCC1=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123335490 767965831 /nfs/dbraw/zinc/96/58/31/767965831.db2.gz UHJGTGGJKWFTFK-UHFFFAOYSA-N 1 0 320.349 0.423 20 5 DCBDRO CC(=O)N1CCc2cc(-n3nncc3C[NH3+])cc([N+](=O)[O-])c21 ZINC001169312089 760631123 /nfs/dbraw/zinc/63/11/23/760631123.db2.gz LTUWFEKAUDECDW-UHFFFAOYSA-N 1 0 302.294 0.543 20 5 DCBDRO CCOC(=O)C1(Nc2c[n+]([O-])ccc2[N+](=O)[O-])CCN(C)CC1 ZINC001169492489 760708328 /nfs/dbraw/zinc/70/83/28/760708328.db2.gz VARMJRYQFHLNSZ-UHFFFAOYSA-N 1 0 324.337 0.668 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001170869437 766171047 /nfs/dbraw/zinc/17/10/47/766171047.db2.gz CLUPEWYNUTXXMD-RNFRBKRXSA-N 1 0 315.717 0.601 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])c(OC)cn1 ZINC001170868789 766171055 /nfs/dbraw/zinc/17/10/55/766171055.db2.gz YHUIJOCCCAMQSP-RKDXNWHRSA-N 1 0 310.310 0.561 20 5 DCBDRO O=C(Cc1cc[nH]n1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125141358 768361841 /nfs/dbraw/zinc/36/18/41/768361841.db2.gz LXUCYBFEDDYOSS-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170994612 766377365 /nfs/dbraw/zinc/37/73/65/766377365.db2.gz VVOCYWONSWOOLM-UHFFFAOYSA-N 1 0 307.310 0.571 20 5 DCBDRO C[C@H]1CN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC001120484940 767035205 /nfs/dbraw/zinc/03/52/05/767035205.db2.gz KLIQOUGZJYGNRV-SWLSCSKDSA-N 1 0 309.366 0.939 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)C1 ZINC001120936439 767317098 /nfs/dbraw/zinc/31/70/98/767317098.db2.gz OVJCGVHPTHPUIE-NSHDSACASA-N 1 0 320.349 0.970 20 5 DCBDRO Cc1nonc1CC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001146251887 767409111 /nfs/dbraw/zinc/40/91/11/767409111.db2.gz RJZSYUWLIBJJMD-UHFFFAOYSA-N 1 0 319.321 0.735 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000124081327 768656426 /nfs/dbraw/zinc/65/64/26/768656426.db2.gz YJILDVBYLAZXHC-QMMMGPOBSA-N 1 0 305.331 0.868 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C[NH+]2CCCC2)n1 ZINC001093652228 768671304 /nfs/dbraw/zinc/67/13/04/768671304.db2.gz JZSNURCXQDNBCD-UHFFFAOYSA-N 1 0 307.354 0.922 20 5 DCBDRO O=C(NCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C12CC[NH+](CC1)C2 ZINC001093769177 768719615 /nfs/dbraw/zinc/71/96/15/768719615.db2.gz XVQKBJXJGAZNPL-UHFFFAOYSA-N 1 0 321.337 0.319 20 5 DCBDRO Cn1ccc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001151084910 769257405 /nfs/dbraw/zinc/25/74/05/769257405.db2.gz UVSVNFWFRCBMRC-UHFFFAOYSA-N 1 0 309.351 0.909 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(CO)CO)c1F ZINC001173175380 769555595 /nfs/dbraw/zinc/55/55/95/769555595.db2.gz BJELURFSGRXRKP-QMMMGPOBSA-N 1 0 302.302 0.616 20 5 DCBDRO O=C(Cn1cncn1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175464557 769904920 /nfs/dbraw/zinc/90/49/20/769904920.db2.gz FNUBDWODGHVTKY-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001155079244 770388520 /nfs/dbraw/zinc/38/85/20/770388520.db2.gz XNXJVZDLYCDNLE-UHFFFAOYSA-N 1 0 307.266 0.049 20 5 DCBDRO COC(=O)c1nc(Cl)nc(-n2nccc2C[NH3+])c1[N+](=O)[O-] ZINC001155123901 770406341 /nfs/dbraw/zinc/40/63/41/770406341.db2.gz NFDALZMLNMEVFV-UHFFFAOYSA-N 1 0 312.673 0.469 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2cc(OC)c([N+](=O)[O-])cn2)CC1 ZINC001155152347 770414109 /nfs/dbraw/zinc/41/41/09/770414109.db2.gz KNOPMKCQAJQJHD-CYBMUJFWSA-N 1 0 324.337 0.715 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N[C@@H]2CC[NH2+][C@@H]2C)c1[N+](=O)[O-] ZINC001155187769 770424375 /nfs/dbraw/zinc/42/43/75/770424375.db2.gz RATFMPYTMHYUEL-PHDIDXHHSA-N 1 0 315.717 0.987 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001159047631 771853319 /nfs/dbraw/zinc/85/33/19/771853319.db2.gz VEBDSAPSQGPSDX-SECBINFHSA-N 1 0 310.310 0.567 20 5 DCBDRO CNC(=O)NCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001159335138 771898053 /nfs/dbraw/zinc/89/80/53/771898053.db2.gz SSJNITILFFZUGP-UHFFFAOYSA-N 1 0 323.353 0.120 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001159503346 771920933 /nfs/dbraw/zinc/92/09/33/771920933.db2.gz WMKBYSMYJARKQL-KCJUWKMLSA-N 1 0 310.310 0.565 20 5 DCBDRO C[C@@H](Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001159501760 771921089 /nfs/dbraw/zinc/92/10/89/771921089.db2.gz XJGSWHFIGZYDNY-VXNVDRBHSA-N 1 0 302.718 0.670 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1nc(Cl)ncc1[N+](=O)[O-] ZINC001159861472 771967113 /nfs/dbraw/zinc/96/71/13/771967113.db2.gz VIDUIHKFTFWQNC-UHFFFAOYSA-N 1 0 303.706 0.366 20 5 DCBDRO COC(=O)C[C@@H](C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160526305 772058211 /nfs/dbraw/zinc/05/82/11/772058211.db2.gz VIMXFGMDDYGUFX-SECBINFHSA-N 1 0 324.341 0.158 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cc([N+](=O)[O-])c(OC)cn1 ZINC001162533284 772387506 /nfs/dbraw/zinc/38/75/06/772387506.db2.gz OVHZCCQWHMOADL-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCc2noc3c2C[NH2+]CC3)c1F ZINC001163126117 772468109 /nfs/dbraw/zinc/46/81/09/772468109.db2.gz MILGMTYFYQDQOR-UHFFFAOYSA-N 1 0 309.257 0.613 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001163164042 772475364 /nfs/dbraw/zinc/47/53/64/772475364.db2.gz OUNFBMLBJSJRNB-KKZNHRDASA-N 1 0 309.326 0.430 20 5 DCBDRO NC(=O)c1ccnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163168524 772476153 /nfs/dbraw/zinc/47/61/53/772476153.db2.gz XFGVGLBDNYHASP-KKZNHRDASA-N 1 0 321.337 0.125 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ccc3nc[nH]c3c2[N+](=O)[O-])N1 ZINC001163253996 772493763 /nfs/dbraw/zinc/49/37/63/772493763.db2.gz OJXYXZUMXJSCSI-RNCFNFMXSA-N 1 0 302.294 0.461 20 5 DCBDRO Cn1cc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1=O ZINC001163281171 772498544 /nfs/dbraw/zinc/49/85/44/772498544.db2.gz WGYUAENBTWYILV-NHYWBVRUSA-N 1 0 322.365 0.864 20 5 DCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC[C@@H]1O ZINC001164226976 772628262 /nfs/dbraw/zinc/62/82/62/772628262.db2.gz FGDFYFDFIIRNNQ-CABZTGNLSA-N 1 0 307.354 0.669 20 5 DCBDRO C[C@@]1(O)CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@H]1F ZINC001164290647 772638401 /nfs/dbraw/zinc/63/84/01/772638401.db2.gz XSLWLGYKXXDOTH-GXFFZTMASA-N 1 0 311.317 0.371 20 5 DCBDRO O=[N+]([O-])c1ccc2ncnc(N3CCOCC34C[NH2+]C4)c2c1 ZINC001165286263 772717893 /nfs/dbraw/zinc/71/78/93/772717893.db2.gz OQKKABGAZXFLGA-UHFFFAOYSA-N 1 0 301.306 0.717 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1N1CCCO[C@]2(C[NH2+]CCOC2)C1 ZINC001165344167 772725723 /nfs/dbraw/zinc/72/57/23/772725723.db2.gz BWBZMHBBWFVIBE-CQSZACIVSA-N 1 0 323.353 0.157 20 5 DCBDRO Cn1ncc2c1CN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001166762826 772857484 /nfs/dbraw/zinc/85/74/84/772857484.db2.gz DTRHWXOVYUCIHT-UHFFFAOYSA-N 1 0 301.310 0.325 20 5 DCBDRO COC(=O)[C@](C)(O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196908449 773666474 /nfs/dbraw/zinc/66/64/74/773666474.db2.gz QJKHRWIODBAOMM-ZIAGYGMSSA-N 1 0 312.322 0.316 20 5 DCBDRO COC(=O)[C@@](C)(O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196908424 773666589 /nfs/dbraw/zinc/66/65/89/773666589.db2.gz QJKHRWIODBAOMM-KBPBESRZSA-N 1 0 312.322 0.316 20 5 DCBDRO COC(=O)[C@](C)(O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196908448 773666654 /nfs/dbraw/zinc/66/66/54/773666654.db2.gz QJKHRWIODBAOMM-UONOGXRCSA-N 1 0 312.322 0.316 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCC[N@@H+]1CCCOCC1 ZINC001216481332 774118146 /nfs/dbraw/zinc/11/81/46/774118146.db2.gz ZVKNUTXNYPGNQJ-UHFFFAOYSA-N 1 0 323.353 0.564 20 5 DCBDRO CSc1nccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001224107264 775538453 /nfs/dbraw/zinc/53/84/53/775538453.db2.gz IHYBHVNQZZUYMG-LLVKDONJSA-N 1 0 300.404 0.699 20 5 DCBDRO COC(=O)Cc1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001226929746 775898170 /nfs/dbraw/zinc/89/81/70/775898170.db2.gz CHZKUTGFAAZMIG-CYBMUJFWSA-N 1 0 310.370 0.765 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(C(=N)NO)c(F)c1 ZINC001229083765 776156057 /nfs/dbraw/zinc/15/60/57/776156057.db2.gz RQBOWVMDGKQFFW-SECBINFHSA-N 1 0 314.337 0.492 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1ccnn1C ZINC001480974047 939507775 /nfs/dbraw/zinc/50/77/75/939507775.db2.gz DTTWAHKMZJVTIQ-CHWSQXEVSA-N 1 0 309.370 0.066 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cnon1 ZINC001481294119 939724005 /nfs/dbraw/zinc/72/40/05/939724005.db2.gz GVEIEZTXAYRTNM-UHFFFAOYSA-N 1 0 305.294 0.840 20 5 DCBDRO COCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001491313550 943910532 /nfs/dbraw/zinc/91/05/32/943910532.db2.gz GFTSGZZTAIJNLI-RGDJUOJXSA-N 1 0 311.382 0.515 20 5 DCBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnn(C)c1 ZINC001317540397 945034415 /nfs/dbraw/zinc/03/44/15/945034415.db2.gz JAZUMHOBGFVAGE-CHWSQXEVSA-N 1 0 309.370 0.414 20 5 DCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001318516727 945391087 /nfs/dbraw/zinc/39/10/87/945391087.db2.gz MQZHYLODFNUZIC-UHFFFAOYSA-N 1 0 309.370 0.679 20 5 DCBDRO NS(=O)(=O)c1ccc(NCC[NH+]2CC=CC2)c([N+](=O)[O-])c1 ZINC001318777984 945441388 /nfs/dbraw/zinc/44/13/88/945441388.db2.gz PGCCMCRPLNVAEG-UHFFFAOYSA-N 1 0 312.351 0.526 20 5 DCBDRO COC(=O)[C@@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC001246941452 945521406 /nfs/dbraw/zinc/52/14/06/945521406.db2.gz VTZCCAXGDSZYKA-GDLCADMTSA-N 1 0 307.350 0.958 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCN1CC=CCC1 ZINC001321619033 946399349 /nfs/dbraw/zinc/39/93/49/946399349.db2.gz NQRCBHQUDFODEF-UHFFFAOYSA-N 1 0 306.322 0.135 20 5 DCBDRO O=C(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC001254580729 946411635 /nfs/dbraw/zinc/41/16/35/946411635.db2.gz DZNMLFIKZHMBCS-CYBMUJFWSA-N 1 0 305.334 0.510 20 5 DCBDRO Cc1nc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-] ZINC001324486497 947439586 /nfs/dbraw/zinc/43/95/86/947439586.db2.gz MQAXPAWGDSFAFU-YPMHNXCESA-N 1 0 307.354 0.729 20 5 DCBDRO C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001262558316 947726697 /nfs/dbraw/zinc/72/66/97/947726697.db2.gz ATEOZACWGKLEQI-JQWIXIFHSA-N 1 0 308.338 0.943 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001325336772 947758764 /nfs/dbraw/zinc/75/87/64/947758764.db2.gz BJCUWWQQBNXNCI-LLVKDONJSA-N 1 0 322.365 0.368 20 5 DCBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001262860365 947779333 /nfs/dbraw/zinc/77/93/33/947779333.db2.gz QVRSAEGPMYDSFY-UHFFFAOYSA-N 1 0 310.402 0.945 20 5 DCBDRO C[C@H](C[NH2+]Cc1cn(CC(N)=O)nn1)c1ccccc1[N+](=O)[O-] ZINC001179686200 947886781 /nfs/dbraw/zinc/88/67/81/947886781.db2.gz UOAIJORMFNDLDK-SNVBAGLBSA-N 1 0 318.337 0.565 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC001326166871 948080412 /nfs/dbraw/zinc/08/04/12/948080412.db2.gz PUPRHLIVMPYORY-PWSUYJOCSA-N 1 0 323.353 0.676 20 5 DCBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 ZINC001326626594 948223030 /nfs/dbraw/zinc/22/30/30/948223030.db2.gz KKPXBKKYFSJOIT-NHYWBVRUSA-N 1 0 320.349 0.344 20 5 DCBDRO CN(CCC[NH3+])C(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001327940451 948669979 /nfs/dbraw/zinc/66/99/79/948669979.db2.gz NRFMEZUXYHZPJN-UHFFFAOYSA-N 1 0 322.365 0.403 20 5 DCBDRO CN(CCNC(=O)Cc1ncc[nH]1)c1ncc([N+](=O)[O-])cc1F ZINC001263681114 948733752 /nfs/dbraw/zinc/73/37/52/948733752.db2.gz YNGFPADRKVGGFO-UHFFFAOYSA-N 1 0 322.300 0.647 20 5 DCBDRO Cc1nn(C)c(C(=O)NC[C@](C)(O)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001328729806 949057359 /nfs/dbraw/zinc/05/73/59/949057359.db2.gz WDIGSIPLZLHQFT-CYBMUJFWSA-N 1 0 313.358 0.069 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001330487016 950448440 /nfs/dbraw/zinc/44/84/40/950448440.db2.gz IPIVITCIKKOHQH-VXGBXAGGSA-N 1 0 306.322 0.271 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001330593674 950530637 /nfs/dbraw/zinc/53/06/37/950530637.db2.gz ADCDSYWYOQRVSX-VXGBXAGGSA-N 1 0 323.353 0.319 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001331612656 951194123 /nfs/dbraw/zinc/19/41/23/951194123.db2.gz MGWHJIDMJZEOCH-KOLCDFICSA-N 1 0 324.385 0.001 20 5 DCBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C(F)F ZINC001275825328 952480493 /nfs/dbraw/zinc/48/04/93/952480493.db2.gz SNWBBUXLLJUSAR-UHFFFAOYSA-N 1 0 305.285 0.532 20 5 DCBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC001335368685 952526661 /nfs/dbraw/zinc/52/66/61/952526661.db2.gz RRZULZFRBWZXNU-CZUORRHYSA-N 1 0 322.409 0.854 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCNCC[NH2+]CC1 ZINC001341098942 953210249 /nfs/dbraw/zinc/21/02/49/953210249.db2.gz AZYVAKBNJYPSFZ-UHFFFAOYSA-N 1 0 306.366 0.847 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCNCC[NH2+]CC1 ZINC001341222825 953217782 /nfs/dbraw/zinc/21/77/82/953217782.db2.gz QWYORRIXRQZCFT-UHFFFAOYSA-N 1 0 322.365 0.629 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001342773571 953307764 /nfs/dbraw/zinc/30/77/64/953307764.db2.gz ZMPBNOXEETWUSZ-NWDGAFQWSA-N 1 0 307.354 0.558 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343270615 953332928 /nfs/dbraw/zinc/33/29/28/953332928.db2.gz XIDXFYPXLVOBIO-UHFFFAOYSA-N 1 0 320.349 0.891 20 5 DCBDRO C[NH2+]CCC1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001343460099 953347243 /nfs/dbraw/zinc/34/72/43/953347243.db2.gz WGSHYCNIYPYGJV-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)CC1 ZINC001344129276 953418298 /nfs/dbraw/zinc/41/82/98/953418298.db2.gz KQCXEKBQYSCNHB-UHFFFAOYSA-N 1 0 319.365 0.249 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001344963030 953569406 /nfs/dbraw/zinc/56/94/06/953569406.db2.gz SOBPXJGOYYTJDV-UHFFFAOYSA-N 1 0 308.338 0.231 20 5 DCBDRO O=c1ccn(Cc2nc(C3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC001345956291 953770299 /nfs/dbraw/zinc/77/02/99/953770299.db2.gz AXAAJFDPSDDTHZ-UHFFFAOYSA-N 1 0 305.294 0.655 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC001348305865 954260021 /nfs/dbraw/zinc/26/00/21/954260021.db2.gz AGPWUUYDJUNLJH-SECBINFHSA-N 1 0 324.337 0.025 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC001348973506 954552885 /nfs/dbraw/zinc/55/28/85/954552885.db2.gz SCZVUJJTFIYHMF-ONGXEEELSA-N 1 0 306.326 0.022 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[NH2+]C12CCCC2 ZINC001349421779 954748453 /nfs/dbraw/zinc/74/84/53/954748453.db2.gz YXFISSVBOIKHTN-ZDUSSCGKSA-N 1 0 320.349 0.547 20 5 DCBDRO C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@@H](O)C[NH2+]1 ZINC001353327395 956021900 /nfs/dbraw/zinc/02/19/00/956021900.db2.gz YMGAQEHJGYDIGQ-HIFRSBDPSA-N 1 0 305.334 0.592 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3nnc[nH]3)CC2)c1 ZINC001354498013 956408695 /nfs/dbraw/zinc/40/86/95/956408695.db2.gz DRWKGWVHSNJAOB-LBPRGKRZSA-N 1 0 321.341 0.150 20 5 DCBDRO C[C@H](CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[NH+](C)C ZINC001292391572 956943911 /nfs/dbraw/zinc/94/39/11/956943911.db2.gz HXGVMNBTRQNHIT-SNVBAGLBSA-N 1 0 318.337 0.855 20 5 DCBDRO C[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001293743924 957422805 /nfs/dbraw/zinc/42/28/05/957422805.db2.gz FPFKVPCNAPNOHO-QMTHXVAHSA-N 1 0 321.381 0.541 20 5 DCBDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001303376274 960049077 /nfs/dbraw/zinc/04/90/77/960049077.db2.gz CWIBCRCBXQMGGH-HZSPNIEDSA-N 1 0 323.349 0.200 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC001306859899 960134663 /nfs/dbraw/zinc/13/46/63/960134663.db2.gz USORDNPAZIBZQB-NSHDSACASA-N 1 0 307.354 0.877 20 5 DCBDRO COC(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)n1C ZINC001308316142 960173594 /nfs/dbraw/zinc/17/35/94/960173594.db2.gz CUNDVFZEISCUTH-UHFFFAOYSA-N 1 0 307.310 0.706 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1 ZINC001528680932 1014381856 /nfs/dbraw/zinc/38/18/56/1014381856.db2.gz QIJOIMGIUMKTJH-OAHLLOKOSA-N 1 0 323.349 0.742 20 5 DCBDRO C[C@@H](COC(=O)Cn1cc([N+](=O)[O-])cn1)C[NH+]1CCOCC1 ZINC001526555269 1015300099 /nfs/dbraw/zinc/30/00/99/1015300099.db2.gz OKTZHDCMMZBWKZ-LLVKDONJSA-N 1 0 312.326 0.303 20 5 DCBDRO CC[N@H+](CCCO)CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001505396993 1016210598 /nfs/dbraw/zinc/21/05/98/1016210598.db2.gz YVXULEUMUBRTLR-ZIAGYGMSSA-N 1 0 313.398 0.595 20 5 DCBDRO Nc1cc(CCCCNC(=O)Cn2cc([N+](=O)[O-])cn2)cc[nH+]1 ZINC001457428974 1011709897 /nfs/dbraw/zinc/70/98/97/1011709897.db2.gz HCQGZZLNBPKCIC-UHFFFAOYSA-N 1 0 318.337 0.908 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556895179 1012237971 /nfs/dbraw/zinc/23/79/71/1012237971.db2.gz JNTHUQUXKYZTCI-RNCFNFMXSA-N 1 0 305.338 0.504 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3O)CC2)cn1 ZINC001560995718 1012458212 /nfs/dbraw/zinc/45/82/12/1012458212.db2.gz WESKTFNZINADFR-ZIAGYGMSSA-N 1 0 322.365 0.698 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](c3ncccn3)C2)c1 ZINC001460853408 1012980189 /nfs/dbraw/zinc/98/01/89/1012980189.db2.gz BXIFZVKUQZQIIY-WCQYABFASA-N 1 0 318.337 0.432 20 5 DCBDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001521333902 1017347637 /nfs/dbraw/zinc/34/76/37/1017347637.db2.gz PRTGPEIBFRLAQE-YGRLFVJLSA-N 1 0 307.350 0.696 20 5 DCBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C(N)=O ZINC000295599958 529943426 /nfs/dbraw/zinc/94/34/26/529943426.db2.gz CEUZYLBBYBVXLR-SNVBAGLBSA-N 1 0 311.338 0.530 20 5 DCBDRO C[C@H]1C[N@H+](C)CCN1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000330789401 232070587 /nfs/dbraw/zinc/07/05/87/232070587.db2.gz BFKLTQVDTZPDEB-QWHCGFSZSA-N 1 0 309.366 0.970 20 5 DCBDRO NC(=O)C1([NH2+]CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 ZINC000347788831 283281672 /nfs/dbraw/zinc/28/16/72/283281672.db2.gz RDNQZVYXINGBRF-UHFFFAOYSA-N 1 0 320.305 0.500 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)F ZINC000566231449 291285239 /nfs/dbraw/zinc/28/52/39/291285239.db2.gz CADZPPMDXRXATE-WCBMZHEXSA-N 1 0 306.265 0.550 20 5 DCBDRO Cc1c(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000566728039 291320123 /nfs/dbraw/zinc/32/01/23/291320123.db2.gz GPUHGERYYRDADO-ZDUSSCGKSA-N 1 0 321.381 0.688 20 5 DCBDRO CCn1ccnc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567892403 291388621 /nfs/dbraw/zinc/38/86/21/291388621.db2.gz VUXANLOMTXUNQN-ZYHUDNBSSA-N 1 0 308.342 0.719 20 5 DCBDRO [NH3+][C@H]1CCc2ncc(NC(=O)c3n[nH]cc3[N+](=O)[O-])cc2C1 ZINC000567908132 291390256 /nfs/dbraw/zinc/39/02/56/291390256.db2.gz WYVRMJZAKYXJQL-QMMMGPOBSA-N 1 0 302.294 0.781 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000264752918 204129260 /nfs/dbraw/zinc/12/92/60/204129260.db2.gz RMLMBMHGCLYICF-AWEZNQCLSA-N 1 0 321.381 0.640 20 5 DCBDRO Cc1ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1[N+](=O)[O-] ZINC000021010415 182260253 /nfs/dbraw/zinc/26/02/53/182260253.db2.gz LGQJWRHNLLDYTR-JTQLQIEISA-N 1 0 315.351 0.604 20 5 DCBDRO COc1ccc(OCC[N@@H+]2C[C@@H](O)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000274073473 211329109 /nfs/dbraw/zinc/32/91/09/211329109.db2.gz CPOZRRJYTUTABS-QWRGUYRKSA-N 1 0 312.322 0.410 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000109848446 194293056 /nfs/dbraw/zinc/29/30/56/194293056.db2.gz CRRVFIGRHLDHKV-NSHDSACASA-N 1 0 320.349 0.393 20 5 DCBDRO O=[N+]([O-])c1c(N2CCN([C@@H]3CC[NH2+]C3)CC2)nc2sccn21 ZINC000262491903 285077573 /nfs/dbraw/zinc/07/75/73/285077573.db2.gz LBHLMEGHWPQQRQ-SNVBAGLBSA-N 1 0 322.394 0.788 20 5 DCBDRO CCN(CCC[NH+](C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000338892472 253006189 /nfs/dbraw/zinc/00/61/89/253006189.db2.gz PWAJHGGLJRKTFU-UHFFFAOYSA-N 1 0 310.354 0.557 20 5 DCBDRO COc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000273080835 210460517 /nfs/dbraw/zinc/46/05/17/210460517.db2.gz XNFNBFMEGOBGRU-SECBINFHSA-N 1 0 309.322 0.951 20 5 DCBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)nc1 ZINC000340694064 253292168 /nfs/dbraw/zinc/29/21/68/253292168.db2.gz AGEUUBOTLOTSLK-CYBMUJFWSA-N 1 0 321.381 0.808 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC000340999950 253334297 /nfs/dbraw/zinc/33/42/97/253334297.db2.gz XUEUBWBQEGKIAY-LBPRGKRZSA-N 1 0 322.365 0.844 20 5 DCBDRO C[N@@H+]1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272962855 210348072 /nfs/dbraw/zinc/34/80/72/210348072.db2.gz STLJFVHCVAGOOM-CYBMUJFWSA-N 1 0 309.366 0.972 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272890371 210281315 /nfs/dbraw/zinc/28/13/15/210281315.db2.gz JIOGDDXVADPEAD-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000347664191 254176712 /nfs/dbraw/zinc/17/67/12/254176712.db2.gz XHWFTYCWYKYAPL-SSDOTTSWSA-N 1 0 314.729 0.441 20 5 DCBDRO CC(C)(C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000351169924 254334644 /nfs/dbraw/zinc/33/46/44/254334644.db2.gz RNENBXKBWLSQEA-MVWJERBFSA-N 1 0 307.354 0.722 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000351252434 254335002 /nfs/dbraw/zinc/33/50/02/254335002.db2.gz KDYDJUPJPSATJT-VIFPVBQESA-N 1 0 309.326 0.023 20 5 DCBDRO CO[C@H](C[NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000289559339 221066734 /nfs/dbraw/zinc/06/67/34/221066734.db2.gz KXMGTTIWDSROCP-CYBMUJFWSA-N 1 0 308.338 0.217 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000272979240 130078530 /nfs/dbraw/zinc/07/85/30/130078530.db2.gz IYOMGJCJFFKLII-AWEZNQCLSA-N 1 0 309.370 0.996 20 5 DCBDRO C[C@@H](C(=O)N(C)C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122271715 132162632 /nfs/dbraw/zinc/16/26/32/132162632.db2.gz VEKSLDJBAPNRKO-QWRGUYRKSA-N 1 0 307.354 0.953 20 5 DCBDRO CC[N@H+](C)CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000091461497 395725534 /nfs/dbraw/zinc/72/55/34/395725534.db2.gz AGNKQYSGPZTXLD-UHFFFAOYSA-N 1 0 302.356 0.606 20 5 DCBDRO Cn1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093483472 395738322 /nfs/dbraw/zinc/73/83/22/395738322.db2.gz DXDICZAVLNKUPK-OKILXGFUSA-N 1 0 318.333 0.533 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000046947736 395782962 /nfs/dbraw/zinc/78/29/62/395782962.db2.gz RQVRGVSWWCVPEX-NSHDSACASA-N 1 0 309.370 0.679 20 5 DCBDRO CS[C@@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270795314 395809407 /nfs/dbraw/zinc/80/94/07/395809407.db2.gz VSXOTQLWWSXOHO-RKDXNWHRSA-N 1 0 313.383 0.744 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000123208285 395892708 /nfs/dbraw/zinc/89/27/08/395892708.db2.gz WTDHSWNZJAYSAN-HNNXBMFYSA-N 1 0 324.381 0.749 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH2+]CC1 ZINC000237190594 395906127 /nfs/dbraw/zinc/90/61/27/395906127.db2.gz MTSLTTMRBGOHPX-UHFFFAOYSA-N 1 0 322.365 0.629 20 5 DCBDRO CN(CC[NH+](C)C)c1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273467281 395923142 /nfs/dbraw/zinc/92/31/42/395923142.db2.gz JNBANNWVVBSFGY-UHFFFAOYSA-N 1 0 302.356 0.240 20 5 DCBDRO CCC(CC)(CO)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000230256818 395880114 /nfs/dbraw/zinc/88/01/14/395880114.db2.gz VNVAILCSRIPETN-LBPRGKRZSA-N 1 0 300.359 0.541 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000138630775 395952210 /nfs/dbraw/zinc/95/22/10/395952210.db2.gz CVDKWKFHJALYFT-UHFFFAOYSA-N 1 0 311.342 0.018 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000068203125 396049092 /nfs/dbraw/zinc/04/90/92/396049092.db2.gz VTEMIEDYNGLIEU-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO CO[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000261854516 396072906 /nfs/dbraw/zinc/07/29/06/396072906.db2.gz JSKIKQAKDDTDHC-OLZOCXBDSA-N 1 0 322.365 0.632 20 5 DCBDRO CNS(=O)(=O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000155915568 396059236 /nfs/dbraw/zinc/05/92/36/396059236.db2.gz DFVBYCDYDKQHOI-ZDUSSCGKSA-N 1 0 313.379 0.761 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CCO1 ZINC000156455986 396061727 /nfs/dbraw/zinc/06/17/27/396061727.db2.gz SUUVPBIRTPVZIU-MWLCHTKSSA-N 1 0 315.351 0.332 20 5 DCBDRO Nc1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262052276 396093735 /nfs/dbraw/zinc/09/37/35/396093735.db2.gz MSXGYGCADMPNDS-GFCCVEGCSA-N 1 0 319.365 0.297 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000070303828 396101467 /nfs/dbraw/zinc/10/14/67/396101467.db2.gz ZZCDQQRTKIFDJJ-UHFFFAOYSA-N 1 0 303.340 0.443 20 5 DCBDRO O=C(CC[NH+]1C[C@@H](O)[C@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278963625 396143138 /nfs/dbraw/zinc/14/31/38/396143138.db2.gz ZTKLCQSRLHFYPX-VXGBXAGGSA-N 1 0 313.285 0.100 20 5 DCBDRO Cc1c(NC(=O)CC[NH+]2C[C@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000278637980 396136296 /nfs/dbraw/zinc/13/62/96/396136296.db2.gz GTTGEIAZXHFHLH-STQMWFEESA-N 1 0 309.322 0.269 20 5 DCBDRO Cc1c(NC(=O)CC[NH+]2C[C@@H](O)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000278637970 396136350 /nfs/dbraw/zinc/13/63/50/396136350.db2.gz GTTGEIAZXHFHLH-CHWSQXEVSA-N 1 0 309.322 0.269 20 5 DCBDRO CC(C)(C)C[N@H+](CCO)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075718169 396186138 /nfs/dbraw/zinc/18/61/38/396186138.db2.gz HTRISPTVMVJGIE-LBPRGKRZSA-N 1 0 300.359 0.493 20 5 DCBDRO CO[C@H](C[NH3+])CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262835637 396186345 /nfs/dbraw/zinc/18/63/45/396186345.db2.gz IIKKUXNUXHUNGV-PWSUYJOCSA-N 1 0 323.353 0.366 20 5 DCBDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000077817763 396234251 /nfs/dbraw/zinc/23/42/51/396234251.db2.gz MGKYGQYNMYFLJT-SNVBAGLBSA-N 1 0 306.322 0.601 20 5 DCBDRO CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CC[NH2+]C1 ZINC000178926670 396215314 /nfs/dbraw/zinc/21/53/14/396215314.db2.gz RVSMHQBCJMYPBU-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000263706319 396224952 /nfs/dbraw/zinc/22/49/52/396224952.db2.gz CSXITGNFYVEPEF-LBPRGKRZSA-N 1 0 306.366 0.961 20 5 DCBDRO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000263798300 396232345 /nfs/dbraw/zinc/23/23/45/396232345.db2.gz SGTUCAZBEQRKSA-ZDUSSCGKSA-N 1 0 320.393 0.889 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000185049652 396316040 /nfs/dbraw/zinc/31/60/40/396316040.db2.gz LZVSIOHRAQRQOW-XQQFMLRXSA-N 1 0 321.381 0.994 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000185049705 396316165 /nfs/dbraw/zinc/31/61/65/396316165.db2.gz LZVSIOHRAQRQOW-JHJVBQTASA-N 1 0 321.381 0.994 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000080880919 396287686 /nfs/dbraw/zinc/28/76/86/396287686.db2.gz FVOGPSZMGUOEMO-UHFFFAOYSA-N 1 0 307.350 0.710 20 5 DCBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000184340750 396291215 /nfs/dbraw/zinc/29/12/15/396291215.db2.gz QFTWEWMRWBBWSC-UHFFFAOYSA-N 1 0 317.367 0.187 20 5 DCBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)c1[N+](=O)[O-] ZINC000264616964 396295900 /nfs/dbraw/zinc/29/59/00/396295900.db2.gz POGIXVNZNZZDTJ-SECBINFHSA-N 1 0 311.342 0.331 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+](CCO)CCCO)c1 ZINC000264646442 396299042 /nfs/dbraw/zinc/29/90/42/396299042.db2.gz WYYWMDALZZKBBE-CYBMUJFWSA-N 1 0 314.338 0.011 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185162032 396320502 /nfs/dbraw/zinc/32/05/02/396320502.db2.gz UXYJNXJCLAYBDE-QJPTWQEYSA-N 1 0 307.354 0.686 20 5 DCBDRO CC(C)(CC(N)=O)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000186207148 396344945 /nfs/dbraw/zinc/34/49/45/396344945.db2.gz IYHMGZQTZQBQAK-NSHDSACASA-N 1 0 311.338 0.578 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCN2CC[NH+](C)CC2)n1 ZINC000285991984 396367743 /nfs/dbraw/zinc/36/77/43/396367743.db2.gz CRXBGSIOLKFRDO-UHFFFAOYSA-N 1 0 323.353 0.436 20 5 DCBDRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188777243 396385793 /nfs/dbraw/zinc/38/57/93/396385793.db2.gz BDCKSGLDGJEABG-HOSYDEDBSA-N 1 0 323.328 0.703 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000269130472 396388131 /nfs/dbraw/zinc/38/81/31/396388131.db2.gz OCAMEFOMPXTGLF-LLVKDONJSA-N 1 0 306.322 0.274 20 5 DCBDRO CC(C)(C[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269168718 396391245 /nfs/dbraw/zinc/39/12/45/396391245.db2.gz GSUNNBUPBDMMSS-UHFFFAOYSA-N 1 0 308.338 0.568 20 5 DCBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000286382051 396391904 /nfs/dbraw/zinc/39/19/04/396391904.db2.gz KOAGKHNFRKTIEG-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269196733 396393380 /nfs/dbraw/zinc/39/33/80/396393380.db2.gz RZMYLKNZYHURKH-ZDUSSCGKSA-N 1 0 320.349 0.664 20 5 DCBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000269634474 396431250 /nfs/dbraw/zinc/43/12/50/396431250.db2.gz QBABFYHJJCCCIG-GFCCVEGCSA-N 1 0 322.365 0.605 20 5 DCBDRO COCCC[N@H+](C)CCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290815803 396473211 /nfs/dbraw/zinc/47/32/11/396473211.db2.gz RUBIIUYYVJALQN-UHFFFAOYSA-N 1 0 311.342 0.469 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000372155305 396493087 /nfs/dbraw/zinc/49/30/87/396493087.db2.gz KAIJSFSXEGJTQV-MBNYWOFBSA-N 1 0 310.354 0.511 20 5 DCBDRO O=C1CC[C@H]2C[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)CC[C@H]2N1 ZINC000595729890 396652746 /nfs/dbraw/zinc/65/27/46/396652746.db2.gz WEXZYUTZODICTK-WCQYABFASA-N 1 0 320.349 0.357 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC000373395079 396588241 /nfs/dbraw/zinc/58/82/41/396588241.db2.gz SWUFBSOVGMPVDD-SKDRFNHKSA-N 1 0 305.338 0.738 20 5 DCBDRO C[C@@H]1[NH2+]CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H]1C ZINC000581884305 396590340 /nfs/dbraw/zinc/59/03/40/396590340.db2.gz DMXLSVFPEDADDJ-IUCAKERBSA-N 1 0 300.340 0.361 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)C[C@H]2C1 ZINC000562352077 396658950 /nfs/dbraw/zinc/65/89/50/396658950.db2.gz YAZRGGSHPKGOAR-AOOOYVTPSA-N 1 0 319.317 0.957 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](C2CC2)C2(CO)CCOCC2)n1 ZINC000595596673 396636680 /nfs/dbraw/zinc/63/66/80/396636680.db2.gz NAHVHXSAXAAEII-CQSZACIVSA-N 1 0 324.381 0.949 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000562560736 396670235 /nfs/dbraw/zinc/67/02/35/396670235.db2.gz PWWBLOBFZQYXAX-LLVKDONJSA-N 1 0 310.354 0.510 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000595930048 396684870 /nfs/dbraw/zinc/68/48/70/396684870.db2.gz MULMOEIWTWYEMX-VXGBXAGGSA-N 1 0 323.305 0.684 20 5 DCBDRO [NH3+][C@H]1C[C@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000595951078 396692510 /nfs/dbraw/zinc/69/25/10/396692510.db2.gz WVBWYYYOYKTVPK-DCAQKATOSA-N 1 0 305.338 0.740 20 5 DCBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863630 396696145 /nfs/dbraw/zinc/69/61/45/396696145.db2.gz RXSIZFFWKQIXIM-VXGBXAGGSA-N 1 0 305.334 0.876 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000588866499 396696912 /nfs/dbraw/zinc/69/69/12/396696912.db2.gz KILWHNBKUPFFKF-JTQLQIEISA-N 1 0 318.333 0.795 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000588863871 396697119 /nfs/dbraw/zinc/69/71/19/396697119.db2.gz ZDAMTKYKEBCBQG-VIFPVBQESA-N 1 0 301.730 0.901 20 5 DCBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000304287428 396728622 /nfs/dbraw/zinc/72/86/22/396728622.db2.gz FYRSLZXMMUGFCA-OAHLLOKOSA-N 1 0 309.366 0.768 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](CO)c2ccccc2)c1 ZINC000563144495 396708045 /nfs/dbraw/zinc/70/80/45/396708045.db2.gz WTEPYCIGZTZFTE-UKRRQHHQSA-N 1 0 320.349 0.518 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563803984 396779543 /nfs/dbraw/zinc/77/95/43/396779543.db2.gz VYRUAGJYKKXPCR-UHFFFAOYSA-N 1 0 320.349 0.373 20 5 DCBDRO Cc1c(C(=O)NCC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000315720459 396790838 /nfs/dbraw/zinc/79/08/38/396790838.db2.gz IHHURRSSIDSKSE-UHFFFAOYSA-N 1 0 306.322 0.065 20 5 DCBDRO C[C@@H](CCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)[NH+](C)C ZINC000596427233 396771627 /nfs/dbraw/zinc/77/16/27/396771627.db2.gz BQTCHCCTLBVVME-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000590762576 396835783 /nfs/dbraw/zinc/83/57/83/396835783.db2.gz OUZJQPWJPYQUIF-MFKMUULPSA-N 1 0 311.363 0.919 20 5 DCBDRO C[C@@H]1[C@H](O)CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000590762190 396835912 /nfs/dbraw/zinc/83/59/12/396835912.db2.gz ORZIYULWZVNGGK-QMTHXVAHSA-N 1 0 305.334 0.939 20 5 DCBDRO COc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000317566187 396803443 /nfs/dbraw/zinc/80/34/43/396803443.db2.gz FUXIUKDHMPJDQJ-TVQRCGJNSA-N 1 0 309.322 0.792 20 5 DCBDRO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@H](C)[NH3+] ZINC000317647960 396805832 /nfs/dbraw/zinc/80/58/32/396805832.db2.gz RLCMIVUNRFTEGU-MNOVXSKESA-N 1 0 307.354 0.622 20 5 DCBDRO CC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000611088505 396814971 /nfs/dbraw/zinc/81/49/71/396814971.db2.gz ZZGMXHJUEMPLGR-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000611100908 396816438 /nfs/dbraw/zinc/81/64/38/396816438.db2.gz PXQCRMLBKCIJRM-LLVKDONJSA-N 1 0 322.369 0.247 20 5 DCBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1COCCN1 ZINC000600678703 396915817 /nfs/dbraw/zinc/91/58/17/396915817.db2.gz SSSLSEGYSWQPDQ-DGCLKSJQSA-N 1 0 322.365 0.890 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@H](O)C1 ZINC000600808678 396948279 /nfs/dbraw/zinc/94/82/79/396948279.db2.gz OWDXRLCTHTZNOE-LBPRGKRZSA-N 1 0 309.322 0.156 20 5 DCBDRO CCN1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000591765969 397000416 /nfs/dbraw/zinc/00/04/16/397000416.db2.gz XHQMZFYCASAGQB-RYUDHWBXSA-N 1 0 323.349 0.545 20 5 DCBDRO C[NH+](C)CC1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000601216670 397025335 /nfs/dbraw/zinc/02/53/35/397025335.db2.gz HRUAZDLYTIFZBV-UHFFFAOYSA-N 1 0 306.322 0.553 20 5 DCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000618374534 396973149 /nfs/dbraw/zinc/97/31/49/396973149.db2.gz AQKXLBZOCZHIBD-NSHDSACASA-N 1 0 324.337 0.536 20 5 DCBDRO CN(CCC[NH3+])C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000591678610 396975571 /nfs/dbraw/zinc/97/55/71/396975571.db2.gz BJVFJZDUDCUTQW-UHFFFAOYSA-N 1 0 304.310 0.596 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000571658763 396976731 /nfs/dbraw/zinc/97/67/31/396976731.db2.gz RVLZYWQEMWUZPQ-JTQLQIEISA-N 1 0 308.342 0.500 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597652940 397044912 /nfs/dbraw/zinc/04/49/12/397044912.db2.gz GHYMSDWBOAJHAS-GFCCVEGCSA-N 1 0 323.349 0.596 20 5 DCBDRO CN(CC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000573001716 397124290 /nfs/dbraw/zinc/12/42/90/397124290.db2.gz WFGCJYMDLVAOIJ-GFCCVEGCSA-N 1 0 321.381 0.132 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592205228 397128135 /nfs/dbraw/zinc/12/81/35/397128135.db2.gz VTOJCYWOBUSAPY-DGCLKSJQSA-N 1 0 324.333 0.829 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592306216 397148539 /nfs/dbraw/zinc/14/85/39/397148539.db2.gz CRGMXLUSYMNNGB-PSASIEDQSA-N 1 0 311.342 0.459 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592310060 397149345 /nfs/dbraw/zinc/14/93/45/397149345.db2.gz AFACYFUZNUMFKF-MFKMUULPSA-N 1 0 309.322 0.548 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592308515 397149825 /nfs/dbraw/zinc/14/98/25/397149825.db2.gz NMBBFDOYJKANKE-UFBFGSQYSA-N 1 0 319.321 0.659 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CCCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000592342839 397156627 /nfs/dbraw/zinc/15/66/27/397156627.db2.gz HWOXULMLYNPFRJ-SECBINFHSA-N 1 0 311.342 0.460 20 5 DCBDRO Cc1c(CC(=O)N(C)CCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000592468572 397184131 /nfs/dbraw/zinc/18/41/31/397184131.db2.gz CBPTVJTXSQJYFZ-UHFFFAOYSA-N 1 0 320.393 0.809 20 5 DCBDRO CN(CCC[NH3+])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000592473636 397185896 /nfs/dbraw/zinc/18/58/96/397185896.db2.gz KQOSCBGQAQNASJ-UHFFFAOYSA-N 1 0 310.310 0.543 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475119 397185960 /nfs/dbraw/zinc/18/59/60/397185960.db2.gz SIBKPGJUORIJPY-FZMZJTMJSA-N 1 0 322.365 0.606 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000592477042 397187144 /nfs/dbraw/zinc/18/71/44/397187144.db2.gz NMXADXQLUWVIIF-FZMZJTMJSA-N 1 0 322.365 0.606 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000592547584 397207704 /nfs/dbraw/zinc/20/77/04/397207704.db2.gz HNBQUEUCFSJJIW-MRVPVSSYSA-N 1 0 313.335 0.633 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567473 397218225 /nfs/dbraw/zinc/21/82/25/397218225.db2.gz CFVSHVYFRSCFCN-NSHDSACASA-N 1 0 320.349 0.547 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598660965 397270294 /nfs/dbraw/zinc/27/02/94/397270294.db2.gz AIIPQPVXFLAAFS-JTQLQIEISA-N 1 0 321.337 0.537 20 5 DCBDRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000386495904 397288084 /nfs/dbraw/zinc/28/80/84/397288084.db2.gz ZJJBUKPRQMXUKG-UHFFFAOYSA-N 1 0 307.310 0.148 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000389927363 397299257 /nfs/dbraw/zinc/29/92/57/397299257.db2.gz VABOCWATDBNSFF-LLVKDONJSA-N 1 0 315.351 0.252 20 5 DCBDRO Cc1cc(C)n(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000391427044 397304104 /nfs/dbraw/zinc/30/41/04/397304104.db2.gz YFUXFVUHFGPYGB-AWEZNQCLSA-N 1 0 322.369 0.645 20 5 DCBDRO CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[N@H+](C)C1 ZINC000592832194 397260299 /nfs/dbraw/zinc/26/02/99/397260299.db2.gz SUAUVWMGSLVCKX-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO C[NH+](C)CC1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598626923 397263607 /nfs/dbraw/zinc/26/36/07/397263607.db2.gz DEEXUKVYWWAJLP-UHFFFAOYSA-N 1 0 322.369 0.219 20 5 DCBDRO CNC(=O)c1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175722 397353458 /nfs/dbraw/zinc/35/34/58/397353458.db2.gz JMUNCKWNMNXHFV-LLVKDONJSA-N 1 0 308.338 0.433 20 5 DCBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)O1 ZINC000577866342 397368196 /nfs/dbraw/zinc/36/81/96/397368196.db2.gz JHRXWUMNCPVOEZ-OLZOCXBDSA-N 1 0 309.322 0.596 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000602527005 397430955 /nfs/dbraw/zinc/43/09/55/397430955.db2.gz HOYQJESCRPZOSQ-LBPRGKRZSA-N 1 0 309.370 0.946 20 5 DCBDRO COc1cc(OCC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000602592841 397445097 /nfs/dbraw/zinc/44/50/97/397445097.db2.gz VFQSCZGQMZPWTR-PHIMTYICSA-N 1 0 321.333 0.945 20 5 DCBDRO Cn1cnc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000578640302 397464611 /nfs/dbraw/zinc/46/46/11/397464611.db2.gz RYKOEFFECROWEF-UHFFFAOYSA-N 1 0 318.337 0.884 20 5 DCBDRO COc1ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000593904015 397473745 /nfs/dbraw/zinc/47/37/45/397473745.db2.gz PHEDQEWIVCJSFK-NSHDSACASA-N 1 0 310.354 0.499 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000602789502 397486206 /nfs/dbraw/zinc/48/62/06/397486206.db2.gz WIEYOEQCVQJOPZ-OLZOCXBDSA-N 1 0 310.354 0.980 20 5 DCBDRO Cc1c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000579006566 397515039 /nfs/dbraw/zinc/51/50/39/397515039.db2.gz ONWCCJFJMCWEBC-PWSUYJOCSA-N 1 0 318.333 0.287 20 5 DCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000578892002 397498858 /nfs/dbraw/zinc/49/88/58/397498858.db2.gz VZTDECKASBYSDW-HTQZYQBOSA-N 1 0 312.301 0.914 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(CO)CCSCC1 ZINC000602842429 397499683 /nfs/dbraw/zinc/49/96/83/397499683.db2.gz YKHRLQPNLRZLPG-UHFFFAOYSA-N 1 0 300.384 0.947 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC000579014706 397516504 /nfs/dbraw/zinc/51/65/04/397516504.db2.gz VNWARPRBJBNWPR-UHFFFAOYSA-N 1 0 323.397 0.618 20 5 DCBDRO CCC(O)(CC)C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000599673421 397502732 /nfs/dbraw/zinc/50/27/32/397502732.db2.gz NQHYKHCVYVSKBX-GFCCVEGCSA-N 1 0 300.359 0.635 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000599900170 397537774 /nfs/dbraw/zinc/53/77/74/397537774.db2.gz LERZVWMHJKQWMW-UHFFFAOYSA-N 1 0 324.337 0.275 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000090525217 158102915 /nfs/dbraw/zinc/10/29/15/158102915.db2.gz HLIZTLUUZYDELQ-CYBMUJFWSA-N 1 0 306.366 0.927 20 5 DCBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000126324450 158265420 /nfs/dbraw/zinc/26/54/20/158265420.db2.gz GJPFXPKSWLUHEZ-GFCCVEGCSA-N 1 0 324.385 0.957 20 5 DCBDRO Cc1ccc(S(=O)(=O)N2CCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000165619016 158365040 /nfs/dbraw/zinc/36/50/40/158365040.db2.gz MJOJDEXJKYIKMW-SNVBAGLBSA-N 1 0 315.351 0.251 20 5 DCBDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170873476 158376885 /nfs/dbraw/zinc/37/68/85/158376885.db2.gz RTDDGHIMGBNQLY-MRVPVSSYSA-N 1 0 305.381 0.981 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261923117 158754686 /nfs/dbraw/zinc/75/46/86/158754686.db2.gz RVBWCJWDYBACGU-CQSZACIVSA-N 1 0 318.377 0.643 20 5 DCBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908555 159364352 /nfs/dbraw/zinc/36/43/52/159364352.db2.gz VWACOKJURKVNQG-QWRGUYRKSA-N 1 0 321.337 0.396 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000368273358 159384679 /nfs/dbraw/zinc/38/46/79/159384679.db2.gz QFDGYMCPUDPGIW-HIFRSBDPSA-N 1 0 324.381 0.901 20 5 DCBDRO [NH3+][C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000123590380 286960643 /nfs/dbraw/zinc/96/06/43/286960643.db2.gz MOLKDXNBBHDXMJ-ZETCQYMHSA-N 1 0 305.743 0.970 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000132758777 287007087 /nfs/dbraw/zinc/00/70/87/287007087.db2.gz MLWBPVGFYXUXCK-GFCCVEGCSA-N 1 0 309.370 0.946 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146257 415166379 /nfs/dbraw/zinc/16/63/79/415166379.db2.gz FDDQZUNDVIHAED-GWCFXTLKSA-N 1 0 320.349 0.355 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268235251 415183550 /nfs/dbraw/zinc/18/35/50/415183550.db2.gz NWOWYESAALVYBY-BXKDBHETSA-N 1 0 307.354 0.699 20 5 DCBDRO CCn1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000353498247 415568768 /nfs/dbraw/zinc/56/87/68/415568768.db2.gz ZCCIGTIYWSJXKA-BDAKNGLRSA-N 1 0 317.371 0.182 20 5 DCBDRO CN(CCC(N)=O)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000343455956 415603713 /nfs/dbraw/zinc/60/37/13/415603713.db2.gz USNBZUYXWIYXJI-UHFFFAOYSA-N 1 0 317.305 0.728 20 5 DCBDRO Nc1c(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000289959306 415742345 /nfs/dbraw/zinc/74/23/45/415742345.db2.gz WXOLOCTYLHIDOJ-BDAKNGLRSA-N 1 0 308.313 0.998 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000356465720 415925375 /nfs/dbraw/zinc/92/53/75/415925375.db2.gz YXRRUIFBSNSAIH-UHFFFAOYSA-N 1 0 307.354 0.933 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000296444169 415928170 /nfs/dbraw/zinc/92/81/70/415928170.db2.gz NRTLWTMPAGCYBM-LLVKDONJSA-N 1 0 322.365 0.754 20 5 DCBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000344643680 415964498 /nfs/dbraw/zinc/96/44/98/415964498.db2.gz NDFKODRRKJTQKK-SNVBAGLBSA-N 1 0 310.358 0.423 20 5 DCBDRO Cc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000152667741 415967590 /nfs/dbraw/zinc/96/75/90/415967590.db2.gz AXBHIKRDHGTMTL-AWEZNQCLSA-N 1 0 310.354 0.528 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000298614856 416018445 /nfs/dbraw/zinc/01/84/45/416018445.db2.gz YLCSPRSNFNNXGV-SNVBAGLBSA-N 1 0 308.338 0.908 20 5 DCBDRO COC(=O)COc1ccc(CN(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000357039012 416023695 /nfs/dbraw/zinc/02/36/95/416023695.db2.gz AUIFGJRMILVEQQ-UHFFFAOYSA-N 1 0 309.322 0.550 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000170692631 416028604 /nfs/dbraw/zinc/02/86/04/416028604.db2.gz VWWGZGGKUDHQCS-UHFFFAOYSA-N 1 0 321.381 0.496 20 5 DCBDRO CN(CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1C[NH2+]C1 ZINC000357098301 416034851 /nfs/dbraw/zinc/03/48/51/416034851.db2.gz AMDYZHDZMGSWAN-UHFFFAOYSA-N 1 0 306.322 0.796 20 5 DCBDRO COC(=O)c1cnc(NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000357687367 416115936 /nfs/dbraw/zinc/11/59/36/416115936.db2.gz VWEZQBKISXGPKT-CYBMUJFWSA-N 1 0 310.310 0.255 20 5 DCBDRO C[C@@H](CCN1CCOCC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000357911370 416151538 /nfs/dbraw/zinc/15/15/38/416151538.db2.gz NYGXUNJKOYIYGI-JTQLQIEISA-N 1 0 311.342 0.169 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000178917938 416175547 /nfs/dbraw/zinc/17/55/47/416175547.db2.gz OLYDBNOSGWDDDA-SECBINFHSA-N 1 0 315.351 0.634 20 5 DCBDRO [NH3+]C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000358122242 416195861 /nfs/dbraw/zinc/19/58/61/416195861.db2.gz HKLIWJAWGOBLFD-NSHDSACASA-N 1 0 308.338 0.583 20 5 DCBDRO CO[C@@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@H](C[NH3+])C1 ZINC000359246691 416316338 /nfs/dbraw/zinc/31/63/38/416316338.db2.gz SXVVYFBCHIEKFN-CMPLNLGQSA-N 1 0 311.342 0.146 20 5 DCBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000193584814 416319227 /nfs/dbraw/zinc/31/92/27/416319227.db2.gz QUERWLXHDIPCDB-QMTHXVAHSA-N 1 0 320.349 0.672 20 5 DCBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415465912 416344906 /nfs/dbraw/zinc/34/49/06/416344906.db2.gz SVXJQXAPOOWKKD-PRHODGIISA-N 1 0 324.312 0.916 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415491738 416344994 /nfs/dbraw/zinc/34/49/94/416344994.db2.gz WOOQLCLSDXQGRT-PWSUYJOCSA-N 1 0 318.333 0.886 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000416498073 416372310 /nfs/dbraw/zinc/37/23/10/416372310.db2.gz VZJPJHJWUFOMNP-VIFPVBQESA-N 1 0 317.342 0.964 20 5 DCBDRO COC[C@@]1(C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000423061244 416463567 /nfs/dbraw/zinc/46/35/67/416463567.db2.gz QHFKNZBOGHYVJH-OAHLLOKOSA-N 1 0 323.349 0.846 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000361081252 416420369 /nfs/dbraw/zinc/42/03/69/416420369.db2.gz QMKUSKOCIAHIPD-WDEREUQCSA-N 1 0 307.354 0.755 20 5 DCBDRO CNc1nccc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1[N+](=O)[O-] ZINC000597569328 416595264 /nfs/dbraw/zinc/59/52/64/416595264.db2.gz VPGKZCFLYPGCPV-UHFFFAOYSA-N 1 0 305.338 0.809 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596078177 416576095 /nfs/dbraw/zinc/57/60/95/416576095.db2.gz MWJONXJHYODXDR-NSHDSACASA-N 1 0 308.386 1.010 20 5 DCBDRO CCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856255 416679928 /nfs/dbraw/zinc/67/99/28/416679928.db2.gz BIKGIROGAKUUKN-TZMCWYRMSA-N 1 0 311.386 0.616 20 5 DCBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@@H]21 ZINC000548714576 416691150 /nfs/dbraw/zinc/69/11/50/416691150.db2.gz XXDSEARAUUIWQS-JQWIXIFHSA-N 1 0 319.365 1.128 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000551896272 416697004 /nfs/dbraw/zinc/69/70/04/416697004.db2.gz IMMJVHPXJAUOLK-CMPLNLGQSA-N 1 0 319.365 1.198 20 5 DCBDRO Cc1c(NC(=O)NCC(=O)N2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000515517134 416702673 /nfs/dbraw/zinc/70/26/73/416702673.db2.gz JZVWFRUDGXMFNS-UHFFFAOYSA-N 1 0 321.337 0.457 20 5 DCBDRO COCC(C)(C)[NH+]1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000425503012 416713254 /nfs/dbraw/zinc/71/32/54/416713254.db2.gz HZGZVXGZHJGMIH-UHFFFAOYSA-N 1 0 311.386 0.834 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000516937927 416760726 /nfs/dbraw/zinc/76/07/26/416760726.db2.gz GTDGZHKZRCKHCW-UONOGXRCSA-N 1 0 304.350 0.647 20 5 DCBDRO CC1CC[NH+](C[C@H](O)CNc2ncc([N+](=O)[O-])s2)CC1 ZINC000443505982 416762996 /nfs/dbraw/zinc/76/29/96/416762996.db2.gz BFWVFLHEAYSOMB-SNVBAGLBSA-N 1 0 300.384 1.556 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000429334277 416961526 /nfs/dbraw/zinc/96/15/26/416961526.db2.gz POFBCEZZHLOMLK-GXSJLCMTSA-N 1 0 324.385 0.648 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000565434365 416979287 /nfs/dbraw/zinc/97/92/87/416979287.db2.gz ZGAJTJYXMINRJZ-WDEREUQCSA-N 1 0 306.322 0.352 20 5 DCBDRO Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000449597632 417156380 /nfs/dbraw/zinc/15/63/80/417156380.db2.gz ZMFNWPOZWVXHOE-IUCAKERBSA-N 1 0 318.337 0.949 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000449611787 417157761 /nfs/dbraw/zinc/15/77/61/417157761.db2.gz YNGTWDCTADREKU-UWVGGRQHSA-N 1 0 312.374 0.681 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449608928 417159162 /nfs/dbraw/zinc/15/91/62/417159162.db2.gz LLILJRAXHHUHBZ-SNVBAGLBSA-N 1 0 309.322 0.762 20 5 DCBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(N)=O ZINC000411620301 417193576 /nfs/dbraw/zinc/19/35/76/417193576.db2.gz MDMGGKIQGQVDAI-UHFFFAOYSA-N 1 0 324.337 0.739 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000568899157 417194905 /nfs/dbraw/zinc/19/49/05/417194905.db2.gz PAYVEDXEPNOVLH-NSHDSACASA-N 1 0 319.365 1.342 20 5 DCBDRO COC(=O)Cc1ccc(NC[C@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000450439927 417226179 /nfs/dbraw/zinc/22/61/79/417226179.db2.gz PCDSSSYRUHOXMZ-OAHLLOKOSA-N 1 0 323.349 0.789 20 5 DCBDRO CCn1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1=O ZINC000569448820 417253782 /nfs/dbraw/zinc/25/37/82/417253782.db2.gz BULYYNJQJWLTAX-CYBMUJFWSA-N 1 0 321.337 0.124 20 5 DCBDRO CC(C)(C)CC[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570396767 417349213 /nfs/dbraw/zinc/34/92/13/417349213.db2.gz QICXXFSQNHGULZ-DGCLKSJQSA-N 1 0 314.386 0.929 20 5 DCBDRO CNc1nccc(C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000570411885 417352261 /nfs/dbraw/zinc/35/22/61/417352261.db2.gz STBCSCNTMSORSA-AOOOYVTPSA-N 1 0 307.354 1.196 20 5 DCBDRO CCOc1ccc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000571209283 417435271 /nfs/dbraw/zinc/43/52/71/417435271.db2.gz YQIHOMCFFWZXIF-GFCCVEGCSA-N 1 0 322.365 0.708 20 5 DCBDRO CNc1nccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000572132634 417455549 /nfs/dbraw/zinc/45/55/49/417455549.db2.gz KAUSBZFKIJYGDK-SNVBAGLBSA-N 1 0 307.354 1.246 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC000192904395 261139636 /nfs/dbraw/zinc/13/96/36/261139636.db2.gz QOAMDDDDRDFWCG-UHFFFAOYSA-N 1 0 311.338 0.647 20 5 DCBDRO CC(C)(C[NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236599466 261155167 /nfs/dbraw/zinc/15/51/67/261155167.db2.gz GSDUTFUPGHBSPW-SNVBAGLBSA-N 1 0 307.354 0.988 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000362375946 262027301 /nfs/dbraw/zinc/02/73/01/262027301.db2.gz NJXOCSUMCDCODT-UHFFFAOYSA-N 1 0 312.326 0.394 20 5 DCBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000368047967 262144737 /nfs/dbraw/zinc/14/47/37/262144737.db2.gz WAIBIXLOTVKTAI-IUCAKERBSA-N 1 0 312.257 0.933 20 5 DCBDRO C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000417163393 262246645 /nfs/dbraw/zinc/24/66/45/262246645.db2.gz SIWIAANINWQLQQ-UHFFFAOYSA-N 1 0 306.322 0.744 20 5 DCBDRO C[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000417905856 262264582 /nfs/dbraw/zinc/26/45/82/262264582.db2.gz DHRCNIXWOHRVHE-GHMZBOCLSA-N 1 0 310.358 0.418 20 5 DCBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417918050 262265453 /nfs/dbraw/zinc/26/54/53/262265453.db2.gz WSLGPBPYUIGAKX-PWSUYJOCSA-N 1 0 310.358 0.608 20 5 DCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418670233 262285513 /nfs/dbraw/zinc/28/55/13/262285513.db2.gz KTFAYHYCVHEURF-WDNDVIMCSA-N 1 0 304.350 0.997 20 5 DCBDRO C[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418774625 262288727 /nfs/dbraw/zinc/28/87/27/262288727.db2.gz DGCUDRVAIOBFKQ-ZANVPECISA-N 1 0 320.349 0.626 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418859138 262293771 /nfs/dbraw/zinc/29/37/71/262293771.db2.gz BBFGAOMRMUVXNS-LBPRGKRZSA-N 1 0 320.349 0.074 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000418921407 262298121 /nfs/dbraw/zinc/29/81/21/262298121.db2.gz JFZLDNGZUZAMQB-LLVKDONJSA-N 1 0 320.349 0.074 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418920424 262298317 /nfs/dbraw/zinc/29/83/17/262298317.db2.gz HFTYTIPELMAOAS-SNVBAGLBSA-N 1 0 308.338 0.107 20 5 DCBDRO C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419133663 262312422 /nfs/dbraw/zinc/31/24/22/262312422.db2.gz GGLNLVWJCXEZGV-UWVGGRQHSA-N 1 0 308.338 0.578 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419157762 262314847 /nfs/dbraw/zinc/31/48/47/262314847.db2.gz WPYSFYDKZCWLMG-GHMZBOCLSA-N 1 0 320.349 0.592 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419158783 262314860 /nfs/dbraw/zinc/31/48/60/262314860.db2.gz YGENEMSMMAHIMZ-NHCYSSNCSA-N 1 0 320.349 0.578 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000423098095 262429300 /nfs/dbraw/zinc/42/93/00/262429300.db2.gz KDVHROAJHXPOHV-GFCCVEGCSA-N 1 0 320.349 0.503 20 5 DCBDRO O=C(C[C@@H]1COCC[NH2+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423727231 262457337 /nfs/dbraw/zinc/45/73/37/262457337.db2.gz QUPDKMHQINYLAO-MRVPVSSYSA-N 1 0 305.294 0.788 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[NH2+]C1 ZINC000428651735 262590685 /nfs/dbraw/zinc/59/06/85/262590685.db2.gz QTUYCMQMTAIJAL-LLVKDONJSA-N 1 0 306.322 0.193 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000363886166 271207190 /nfs/dbraw/zinc/20/71/90/271207190.db2.gz JQWPSGGFRRFUFX-ZDUSSCGKSA-N 1 0 310.354 0.655 20 5 DCBDRO C[NH2+]CCNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419886597 271336986 /nfs/dbraw/zinc/33/69/86/271336986.db2.gz DIUFCUINNKSEQK-UHFFFAOYSA-N 1 0 320.349 0.421 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420439736 271369253 /nfs/dbraw/zinc/36/92/53/271369253.db2.gz MRMJUTCVUIAPHZ-ZJUUUORDSA-N 1 0 301.368 0.792 20 5 DCBDRO CC(C)([NH3+])CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420445602 271371986 /nfs/dbraw/zinc/37/19/86/271371986.db2.gz HOBXOIGHAVIMRY-UHFFFAOYSA-N 1 0 301.368 0.794 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000440848918 271659547 /nfs/dbraw/zinc/65/95/47/271659547.db2.gz XAEBLOGLQMYRAZ-UHFFFAOYSA-N 1 0 303.340 0.443 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449696510 271859117 /nfs/dbraw/zinc/85/91/17/271859117.db2.gz KCOBQIOSHZOGLR-NSHDSACASA-N 1 0 308.338 0.237 20 5 DCBDRO COC(=O)N1CC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000496219364 272300576 /nfs/dbraw/zinc/30/05/76/272300576.db2.gz RBOOWAAFRINWGK-UHFFFAOYSA-N 1 0 322.321 0.964 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000124591207 274218768 /nfs/dbraw/zinc/21/87/68/274218768.db2.gz RSNZIOJEOADCJE-NSHDSACASA-N 1 0 322.369 0.747 20 5 DCBDRO C[NH2+]CCN(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000237363312 277270343 /nfs/dbraw/zinc/27/03/43/277270343.db2.gz SNGMPCZJWCNBJM-UHFFFAOYSA-N 1 0 304.310 0.467 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000441608460 279287009 /nfs/dbraw/zinc/28/70/09/279287009.db2.gz DHVUWHBQXFFSPY-SECBINFHSA-N 1 0 309.322 0.620 20 5 DCBDRO C[N@@H+]1CCN(CCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1(C)C ZINC000549372494 288197414 /nfs/dbraw/zinc/19/74/14/288197414.db2.gz SZRVNGHKFAIRSY-UHFFFAOYSA-N 1 0 310.358 0.074 20 5 DCBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000552309584 288272068 /nfs/dbraw/zinc/27/20/68/288272068.db2.gz OPXJGXNDMASINX-SNVBAGLBSA-N 1 0 308.338 0.391 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000564995032 288805164 /nfs/dbraw/zinc/80/51/64/288805164.db2.gz HFCPGVPSEPUHDF-UWVGGRQHSA-N 1 0 324.337 0.646 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000565831878 288881090 /nfs/dbraw/zinc/88/10/90/288881090.db2.gz CFVGPQKIUIQKQU-JQWIXIFHSA-N 1 0 309.370 0.933 20 5 DCBDRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471329 297079567 /nfs/dbraw/zinc/07/95/67/297079567.db2.gz ZBDYVYHRKRUHKL-BDAKNGLRSA-N 1 0 314.367 0.429 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000570833148 332825436 /nfs/dbraw/zinc/82/54/36/332825436.db2.gz KCPTZCHGYKBQPV-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000583439953 332411211 /nfs/dbraw/zinc/41/12/11/332411211.db2.gz BQYRJKXKGWOXGP-NSHDSACASA-N 1 0 309.322 0.712 20 5 DCBDRO C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000570308772 332737924 /nfs/dbraw/zinc/73/79/24/332737924.db2.gz CKEONLUCIDYENV-ZJUUUORDSA-N 1 0 314.367 0.595 20 5 DCBDRO CNC(=O)CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571315888 333730867 /nfs/dbraw/zinc/73/08/67/333730867.db2.gz PGZDAPGXPLGOJC-GFCCVEGCSA-N 1 0 311.338 0.450 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CC[NH2+][C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000189005786 521801921 /nfs/dbraw/zinc/80/19/21/521801921.db2.gz OJEMGZUSUHYGRY-SECBINFHSA-N 1 0 307.306 0.815 20 5 DCBDRO COc1cc(OCC(=O)N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000157987776 522888750 /nfs/dbraw/zinc/88/87/50/522888750.db2.gz TYHCSTGUGGEIOZ-SNVBAGLBSA-N 1 0 309.322 0.932 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC([NH3+])CC1 ZINC000237550189 525345973 /nfs/dbraw/zinc/34/59/73/525345973.db2.gz CSAKLCKKPHTNQG-SNVBAGLBSA-N 1 0 320.349 0.663 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000267363324 525466817 /nfs/dbraw/zinc/46/68/17/525466817.db2.gz LWTUXQCPQJUVEJ-NSHDSACASA-N 1 0 323.353 0.421 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000238084691 526315085 /nfs/dbraw/zinc/31/50/85/526315085.db2.gz SEVGBIXMDLNALS-UHFFFAOYSA-N 1 0 318.337 0.106 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCC[NH2+]1 ZINC000269155013 526505282 /nfs/dbraw/zinc/50/52/82/526505282.db2.gz UJEAQTDGHAXTDE-LBPRGKRZSA-N 1 0 320.349 0.583 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CC[NH2+]CC1 ZINC000428735150 535809311 /nfs/dbraw/zinc/80/93/11/535809311.db2.gz VGJWQNAVNNJVGG-LLVKDONJSA-N 1 0 324.385 0.695 20 5 DCBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1CC([NH3+])C1 ZINC000420327549 536174155 /nfs/dbraw/zinc/17/41/55/536174155.db2.gz GOGCJSGFXFQBPS-UHFFFAOYSA-N 1 0 322.321 0.684 20 5 DCBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736848972 598501947 /nfs/dbraw/zinc/50/19/47/598501947.db2.gz PVVFLEHONQNMCB-MRVPVSSYSA-N 1 0 304.314 0.534 20 5 DCBDRO C[NH+](C)[C@H]1CCCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821583159 606706914 /nfs/dbraw/zinc/70/69/14/606706914.db2.gz KOJFSTYHCZEJDT-VIFPVBQESA-N 1 0 318.341 0.700 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063971 658816625 /nfs/dbraw/zinc/81/66/25/658816625.db2.gz RLJXZGCKBPFCPE-XJFOESAGSA-N 1 0 311.382 0.705 20 5 DCBDRO Cc1ccnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022063566 658818909 /nfs/dbraw/zinc/81/89/09/658818909.db2.gz DKKOQDAASSQAHP-WRWGMCAJSA-N 1 0 305.338 0.187 20 5 DCBDRO Cc1nocc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775455 659557494 /nfs/dbraw/zinc/55/74/94/659557494.db2.gz BOLZGWFSUPLQHH-LBELIVKGSA-N 1 0 306.322 0.195 20 5 DCBDRO CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[N@H+](C)C1 ZINC000893753750 661404728 /nfs/dbraw/zinc/40/47/28/661404728.db2.gz TWQIDVMNZHESRS-LLVKDONJSA-N 1 0 310.358 0.527 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893752508 661404764 /nfs/dbraw/zinc/40/47/64/661404764.db2.gz MOZBRLFXILNFQN-CMPLNLGQSA-N 1 0 308.342 0.137 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261768071 661636863 /nfs/dbraw/zinc/63/68/63/661636863.db2.gz OXKBWBQFLKHCGB-SNVBAGLBSA-N 1 0 323.353 0.118 20 5 DCBDRO Cc1nocc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983654643 661999562 /nfs/dbraw/zinc/99/95/62/661999562.db2.gz PKBWMSNPTVOXOH-OJAKKHQRSA-N 1 0 308.338 0.633 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cnns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983656251 662001288 /nfs/dbraw/zinc/00/12/88/662001288.db2.gz ZYMCADFHMWTGGU-YJFSRANCSA-N 1 0 311.367 0.188 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896580133 662295509 /nfs/dbraw/zinc/29/55/09/662295509.db2.gz KOFGWRVIINSSHR-SMDDNHRTSA-N 1 0 306.366 0.959 20 5 DCBDRO Cc1noc(CN(C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000985432274 662443891 /nfs/dbraw/zinc/44/38/91/662443891.db2.gz YHQFNRVNCJHEAA-VXGBXAGGSA-N 1 0 323.353 0.466 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911723977 664102959 /nfs/dbraw/zinc/10/29/59/664102959.db2.gz JGEUFKSKVWHDBR-QMTHXVAHSA-N 1 0 318.333 0.908 20 5 DCBDRO O=C(NC12CC[NH+](CC1)C2)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000913628622 664708317 /nfs/dbraw/zinc/70/83/17/664708317.db2.gz LILHRHISDBPOQG-UHFFFAOYSA-N 1 0 319.317 0.944 20 5 DCBDRO CNS(=O)(=O)c1ccc(N(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071311793 666045625 /nfs/dbraw/zinc/04/56/25/666045625.db2.gz CAZVIHGVRMCMCM-SECBINFHSA-N 1 0 314.367 0.301 20 5 DCBDRO NC(=O)C(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001003535749 666323648 /nfs/dbraw/zinc/32/36/48/666323648.db2.gz WBRJNTYEPUYWPV-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996442014 666786732 /nfs/dbraw/zinc/78/67/32/666786732.db2.gz UIYCJHBVPSJAFA-CHWSQXEVSA-N 1 0 324.406 0.931 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861542501 666941971 /nfs/dbraw/zinc/94/19/71/666941971.db2.gz PYGCPAJSBLTCJQ-SECBINFHSA-N 1 0 324.337 0.738 20 5 DCBDRO C[C@@H]([NH3+])CN(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000863567293 667158340 /nfs/dbraw/zinc/15/83/40/667158340.db2.gz VVIPOBBGTTYDCC-MRVPVSSYSA-N 1 0 310.310 0.541 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865637208 667336260 /nfs/dbraw/zinc/33/62/60/667336260.db2.gz WYXWSLGSVPSECO-ZDUSSCGKSA-N 1 0 301.318 0.951 20 5 DCBDRO O=C1OC[C@]2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)COCCN12 ZINC000865770009 667345478 /nfs/dbraw/zinc/34/54/78/667345478.db2.gz ZJJIODRLNYDUFE-AWEZNQCLSA-N 1 0 307.306 0.906 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH2+]Cc3ccccc32)c1 ZINC000923286543 667496229 /nfs/dbraw/zinc/49/62/29/667496229.db2.gz NYGJYHQOXZZTHD-CQSZACIVSA-N 1 0 317.349 0.762 20 5 DCBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000923409305 667529019 /nfs/dbraw/zinc/52/90/19/667529019.db2.gz NSCIHOCCKDJSAW-MCIONIFRSA-N 1 0 309.370 0.084 20 5 DCBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCNCC[NH2+]CC1 ZINC000923466220 667537550 /nfs/dbraw/zinc/53/75/50/667537550.db2.gz KGQIPCVUGZDTTP-GFCCVEGCSA-N 1 0 321.381 0.417 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000868422574 667570786 /nfs/dbraw/zinc/57/07/86/667570786.db2.gz SVSIYQZOCWUVNA-YPMHNXCESA-N 1 0 322.369 0.527 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1nccc1[N+](=O)[O-] ZINC000746655167 667885123 /nfs/dbraw/zinc/88/51/23/667885123.db2.gz ZUFRXWUKFDPVRE-UPJWGTAASA-N 1 0 309.370 0.932 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000887934391 667932911 /nfs/dbraw/zinc/93/29/11/667932911.db2.gz HRUPKSJENKJJED-ABAIWWIYSA-N 1 0 321.381 0.937 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887934643 667932991 /nfs/dbraw/zinc/93/29/91/667932991.db2.gz PKHNYMHYNWIGGM-RISCZKNCSA-N 1 0 307.354 0.510 20 5 DCBDRO Cc1c(C[NH2+]CC2CN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-] ZINC000873109438 667973484 /nfs/dbraw/zinc/97/34/84/667973484.db2.gz RHYUFHAMKAJWFA-UHFFFAOYSA-N 1 0 313.379 0.884 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000839695647 668131685 /nfs/dbraw/zinc/13/16/85/668131685.db2.gz JRPBZKZPBJXELA-ZIAGYGMSSA-N 1 0 311.382 0.755 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924993742 668261583 /nfs/dbraw/zinc/26/15/83/668261583.db2.gz LVCSJZHRBQALJO-VXGBXAGGSA-N 1 0 322.365 0.456 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000925416686 668313458 /nfs/dbraw/zinc/31/34/58/668313458.db2.gz LHZIZZWVOILRAD-LBPRGKRZSA-N 1 0 322.369 0.842 20 5 DCBDRO COC(=O)C[C@@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000767032062 668556857 /nfs/dbraw/zinc/55/68/57/668556857.db2.gz PQSFLWJAOKLQDW-ZFWWWQNUSA-N 1 0 324.333 0.940 20 5 DCBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1CCO ZINC000777832948 668892094 /nfs/dbraw/zinc/89/20/94/668892094.db2.gz XIDBQTOIHJRTOW-VIFPVBQESA-N 1 0 307.310 0.634 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@@H]21 ZINC000879072126 668979330 /nfs/dbraw/zinc/97/93/30/668979330.db2.gz RNCTUXOXUYNREB-PWSUYJOCSA-N 1 0 305.338 0.970 20 5 DCBDRO CN1CCN(C(=O)Nc2ccncc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000930618247 669049014 /nfs/dbraw/zinc/04/90/14/669049014.db2.gz FOLJKFSHFJYOGF-UHFFFAOYSA-N 1 0 322.369 0.123 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000879573507 669065473 /nfs/dbraw/zinc/06/54/73/669065473.db2.gz OYCHQGMXAHRLJN-MRVWCRGKSA-N 1 0 309.370 0.178 20 5 DCBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cn1cc([N+](=O)[O-])cn1 ZINC000782897483 669130668 /nfs/dbraw/zinc/13/06/68/669130668.db2.gz HHHDFUZXPVAHMH-LBPRGKRZSA-N 1 0 309.370 0.934 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932001805 669295625 /nfs/dbraw/zinc/29/56/25/669295625.db2.gz BRQYWMHDISIMOY-LLVKDONJSA-N 1 0 309.322 0.451 20 5 DCBDRO CN(CC[NH+](C)C)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000804532078 670297668 /nfs/dbraw/zinc/29/76/68/670297668.db2.gz NHPYIJMUSNUSOB-UHFFFAOYSA-N 1 0 307.354 0.783 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000854014990 670516070 /nfs/dbraw/zinc/51/60/70/670516070.db2.gz NAFJXHKXJXZDOV-UHFFFAOYSA-N 1 0 320.349 0.475 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306952 670666797 /nfs/dbraw/zinc/66/67/97/670666797.db2.gz MZTOIKDAQDGJPB-WDEREUQCSA-N 1 0 323.324 0.933 20 5 DCBDRO C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815569926 670750088 /nfs/dbraw/zinc/75/00/88/670750088.db2.gz LTKWDLUPXSBBAX-LLVKDONJSA-N 1 0 321.381 0.602 20 5 DCBDRO O=C(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000818946703 671078875 /nfs/dbraw/zinc/07/88/75/671078875.db2.gz FFJHZPNQWLBBEL-CQSZACIVSA-N 1 0 323.349 0.467 20 5 DCBDRO C[C@@H]1COCCN1CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819018660 671085945 /nfs/dbraw/zinc/08/59/45/671085945.db2.gz WLYZMDJUWMWTMD-DOMZBBRYSA-N 1 0 309.366 0.939 20 5 DCBDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819066185 671091164 /nfs/dbraw/zinc/09/11/64/671091164.db2.gz ZNMRGMGGIINZKE-JOYOIKCWSA-N 1 0 302.352 0.651 20 5 DCBDRO O=C1CCC2=C(CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)N1 ZINC000852298486 671115317 /nfs/dbraw/zinc/11/53/17/671115317.db2.gz BPAQDVQUEHYSEO-GFCCVEGCSA-N 1 0 321.337 0.022 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000830871836 671644983 /nfs/dbraw/zinc/64/49/83/671644983.db2.gz OSSWFPYPXXMRGF-MRVWCRGKSA-N 1 0 324.333 0.484 20 5 DCBDRO CN(C1C[NH2+]C1)S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000842867774 672043936 /nfs/dbraw/zinc/04/39/36/672043936.db2.gz RDPQIFRDGYSVAO-UHFFFAOYSA-N 1 0 322.346 0.735 20 5 DCBDRO Nc1ccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)cc1[N+](=O)[O-] ZINC000843169844 672067356 /nfs/dbraw/zinc/06/73/56/672067356.db2.gz UISLOJLCRVZTEB-VIFPVBQESA-N 1 0 305.294 0.758 20 5 DCBDRO O=C(CO[C@H]1CCC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000843370199 672088076 /nfs/dbraw/zinc/08/80/76/672088076.db2.gz IDALVOJVYJIGBH-LBPRGKRZSA-N 1 0 322.365 0.892 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843395710 672091506 /nfs/dbraw/zinc/09/15/06/672091506.db2.gz MHVOGGQONYUYJC-ZDUSSCGKSA-N 1 0 323.349 0.988 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843480744 672102872 /nfs/dbraw/zinc/10/28/72/672102872.db2.gz YGAVANPHZXBSIQ-LBPRGKRZSA-N 1 0 322.321 0.154 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000843995361 672133048 /nfs/dbraw/zinc/13/30/48/672133048.db2.gz VPDOUFAKLSRVFQ-YFCVBGDOSA-N 1 0 317.345 0.885 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001626021503 1158489250 /nfs/dbraw/zinc/48/92/50/1158489250.db2.gz GUVCBJUWBCIGAF-UHFFFAOYSA-N 1 0 318.337 0.877 20 5 DCBDRO CN(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520608 1159057769 /nfs/dbraw/zinc/05/77/69/1159057769.db2.gz YFICNNIKCZEFMH-JHJVBQTASA-N 1 0 311.386 0.471 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001304661865 1159155535 /nfs/dbraw/zinc/15/55/35/1159155535.db2.gz PHSNCWODUNSHFM-CHWSQXEVSA-N 1 0 308.338 0.594 20 5 DCBDRO CN(C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1C[NH+]2CCC1CC2 ZINC001565585000 1159886296 /nfs/dbraw/zinc/88/62/96/1159886296.db2.gz SCFUNLSCMYLRBU-LBPRGKRZSA-N 1 0 306.322 0.862 20 5 DCBDRO [NH3+][C@H]1C[C@@H]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001574268377 1163680434 /nfs/dbraw/zinc/68/04/34/1163680434.db2.gz AHVDPOGHKNJODH-OLZOCXBDSA-N 1 0 320.349 0.342 20 5 DCBDRO CN(C[C@@H]1CC[NH2+]1)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001578452131 1165022028 /nfs/dbraw/zinc/02/20/28/1165022028.db2.gz CDRMQMDULKHHSH-NSHDSACASA-N 1 0 321.337 0.537 20 5 DCBDRO COc1ccc(C(=O)CNC(=O)[C@@H](C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001579188915 1165233064 /nfs/dbraw/zinc/23/30/64/1165233064.db2.gz SIKFOKGYXRVIAG-DTWKUNHWSA-N 1 0 309.322 0.886 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001580707516 1165693532 /nfs/dbraw/zinc/69/35/32/1165693532.db2.gz WKIIYGFQVFVKFO-BXKDBHETSA-N 1 0 304.306 0.386 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001580840182 1165732728 /nfs/dbraw/zinc/73/27/28/1165732728.db2.gz IVUHUHVBIPYHEN-ZDUSSCGKSA-N 1 0 308.269 0.343 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)n1 ZINC001585150922 1166407256 /nfs/dbraw/zinc/40/72/56/1166407256.db2.gz ZUQPTOGJUBTVHV-LLVKDONJSA-N 1 0 324.385 0.177 20 5 DCBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589834598 1166695570 /nfs/dbraw/zinc/69/55/70/1166695570.db2.gz OFBDATHLXKDRMC-VIFPVBQESA-N 1 0 306.326 0.978 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001620943555 1167960975 /nfs/dbraw/zinc/96/09/75/1167960975.db2.gz ATWFUJQDJCYXBS-GHMZBOCLSA-N 1 0 308.338 0.355 20 5 DCBDRO COc1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1[N+](=O)[O-] ZINC001620964889 1167987309 /nfs/dbraw/zinc/98/73/09/1167987309.db2.gz JVBAOEJACZUPBC-NSHDSACASA-N 1 0 307.310 0.346 20 5 DCBDRO CC[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])[C@@H](C)CO ZINC001604319305 1169553813 /nfs/dbraw/zinc/55/38/13/1169553813.db2.gz FWGFVOXNRPALAB-VIFPVBQESA-N 1 0 306.326 0.978 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)n1 ZINC001630369348 1171569502 /nfs/dbraw/zinc/56/95/02/1171569502.db2.gz AOOHVQLCBQMETI-ZDUSSCGKSA-N 1 0 322.365 0.875 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001635934899 1171718010 /nfs/dbraw/zinc/71/80/10/1171718010.db2.gz GUHYFZJLWWVXKW-SNVBAGLBSA-N 1 0 306.322 0.501 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC001651524641 1173750018 /nfs/dbraw/zinc/75/00/18/1173750018.db2.gz BWDZCIATFOZLIU-JMJZKYOTSA-N 1 0 305.338 0.841 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001651958853 1173759419 /nfs/dbraw/zinc/75/94/19/1173759419.db2.gz BHOBXGXJNCQCIM-UHFFFAOYSA-N 1 0 308.338 0.526 20 5 DCBDRO CNC(=O)N[C@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001654781472 1173811183 /nfs/dbraw/zinc/81/11/83/1173811183.db2.gz MIIRMNGTEJBKJL-NSHDSACASA-N 1 0 310.358 0.493 20 5 DCBDRO C[C@]12C[NH+](Cc3cccnc3[N+](=O)[O-])C[C@]1(C)C(=O)NC2=O ZINC001655296614 1173818141 /nfs/dbraw/zinc/81/81/41/1173818141.db2.gz KYFGURPORQUPFR-ZIAGYGMSSA-N 1 0 304.306 0.474 20 5 DCBDRO Cc1c(CNCc2nnc3c(=O)[nH]ccn23)cccc1[N+](=O)[O-] ZINC001656989414 1173900094 /nfs/dbraw/zinc/90/00/94/1173900094.db2.gz HFRQJNUCVMZNCK-UHFFFAOYSA-N 1 0 314.305 0.924 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COC[C@@H]3O)CC2)cc1 ZINC001665416482 1174518884 /nfs/dbraw/zinc/51/88/84/1174518884.db2.gz ZLGHQVRKHDPGCS-CABCVRRESA-N 1 0 307.350 0.913 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001673252912 1175180592 /nfs/dbraw/zinc/18/05/92/1175180592.db2.gz QCBPNRMOJBHWHZ-UHFFFAOYSA-N 1 0 309.326 0.719 20 5 DCBDRO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1nc[nH]n1 ZINC001699542675 1178190822 /nfs/dbraw/zinc/19/08/22/1178190822.db2.gz OBGAZODQZPIARO-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO CCOCCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001701047336 1178905028 /nfs/dbraw/zinc/90/50/28/1178905028.db2.gz BYOSVGXKPDGTKG-ZIAGYGMSSA-N 1 0 311.382 0.827 20 5 DCBDRO Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC001707377811 1180469216 /nfs/dbraw/zinc/46/92/16/1180469216.db2.gz UWSNYGKJAZRLDV-CHWSQXEVSA-N 1 0 307.354 0.388 20 5 DCBDRO CC[N@H+](CCCNC(=O)C(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001731316018 1185261894 /nfs/dbraw/zinc/26/18/94/1185261894.db2.gz MSLLKNPJYOSQJZ-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(N)=O ZINC001753849671 1188665481 /nfs/dbraw/zinc/66/54/81/1188665481.db2.gz KIUAAFUPCLTELQ-UHFFFAOYSA-N 1 0 308.338 0.360 20 5 DCBDRO CC(C)CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001755148959 1189037181 /nfs/dbraw/zinc/03/71/81/1189037181.db2.gz PUQUTDAALKSOLO-CHWSQXEVSA-N 1 0 313.398 0.641 20 5 DCBDRO CC(C)[C@@](C)(Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(N)=O ZINC001167411578 747168556 /nfs/dbraw/zinc/16/85/56/747168556.db2.gz RLKJTWQBSRAVEU-CYBMUJFWSA-N 1 0 308.342 0.384 20 5 DCBDRO O=C(CCn1ccnn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126264206 748350131 /nfs/dbraw/zinc/35/01/31/748350131.db2.gz KVHPPWKPZUKGIH-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO CN(CCN(C)c1ncccc1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001105404990 749183516 /nfs/dbraw/zinc/18/35/16/749183516.db2.gz FDKBVZUPUSJYKD-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO COCc1cccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126932446 750144016 /nfs/dbraw/zinc/14/40/16/750144016.db2.gz YDZMSDUCBMPQKU-ZIAGYGMSSA-N 1 0 307.350 0.704 20 5 DCBDRO NC(=O)c1ccnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168816165 760458211 /nfs/dbraw/zinc/45/82/11/760458211.db2.gz OUMAIJUWEUIWFY-MRVPVSSYSA-N 1 0 302.294 0.090 20 5 DCBDRO COc1nc(-n2cc3c(n2)CC[C@H]([NH3+])C3)nc(C)c1[N+](=O)[O-] ZINC001168809812 760465300 /nfs/dbraw/zinc/46/53/00/760465300.db2.gz VRMXJFXKNRZFST-VIFPVBQESA-N 1 0 304.310 0.704 20 5 DCBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnon1 ZINC001168875946 760492844 /nfs/dbraw/zinc/49/28/44/760492844.db2.gz VBCLZJOWOPIWBY-UHFFFAOYSA-N 1 0 311.323 0.949 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(O)O)C1 ZINC001168984467 760531368 /nfs/dbraw/zinc/53/13/68/760531368.db2.gz OICRSWMQUOXPFV-DYEKYZERSA-N 1 0 310.350 0.649 20 5 DCBDRO CC(C)NC(=O)CN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169022495 760560727 /nfs/dbraw/zinc/56/07/27/760560727.db2.gz CFUVGHWPSDQQEU-KBPBESRZSA-N 1 0 312.414 0.574 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1NC[C@@H]1COCC[NH2+]1 ZINC001170042862 761667762 /nfs/dbraw/zinc/66/77/62/761667762.db2.gz FMYDOSZHNMBHCC-SECBINFHSA-N 1 0 310.310 0.485 20 5 DCBDRO CC(=O)N1CCc2cc(NC[C@@H]3COCC[NH2+]3)cc([N+](=O)[O-])c21 ZINC001170047593 761689388 /nfs/dbraw/zinc/68/93/88/761689388.db2.gz OXWUZHMZXDSBQW-CYBMUJFWSA-N 1 0 320.349 0.904 20 5 DCBDRO C[C@@H](Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170563885 763841123 /nfs/dbraw/zinc/84/11/23/763841123.db2.gz NTHAZCCFPDHDFW-XCBNKYQSSA-N 1 0 302.718 0.670 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2nncc2C[NH3+])n1 ZINC001158420108 763884341 /nfs/dbraw/zinc/88/43/41/763884341.db2.gz BUFILPYREAFOIX-UHFFFAOYSA-N 1 0 301.719 0.800 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1c[nH]c(=O)cn1 ZINC001133013897 764795401 /nfs/dbraw/zinc/79/54/01/764795401.db2.gz ZETUOJJDLIXZOY-UHFFFAOYSA-N 1 0 317.305 0.198 20 5 DCBDRO Cn1cc(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001124606312 768268189 /nfs/dbraw/zinc/26/81/89/768268189.db2.gz CWACKWQAHQNIOC-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO COC(=O)c1ccnc(N2CC3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001159025751 765256545 /nfs/dbraw/zinc/25/65/45/765256545.db2.gz YWUWPBBJKQMBBU-UHFFFAOYSA-N 1 0 306.322 0.966 20 5 DCBDRO CCNC(=O)CCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124726628 768293220 /nfs/dbraw/zinc/29/32/20/768293220.db2.gz IKXPONACNAUXIF-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO COc1nc(SC)nc(N[C@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170779908 765731460 /nfs/dbraw/zinc/73/14/60/765731460.db2.gz ZBEVNEWGODDSAI-BQBZGAKWSA-N 1 0 315.355 0.108 20 5 DCBDRO CN1CCc2c(N[C@H]3C[NH2+]C[C@@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784483 765763223 /nfs/dbraw/zinc/76/32/23/765763223.db2.gz UMJQJGPOXMYAGV-YGRLFVJLSA-N 1 0 306.366 0.575 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccncn1 ZINC001135542864 765972207 /nfs/dbraw/zinc/97/22/07/765972207.db2.gz XPAHMKZGXWMCQM-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO COc1nc(N[C@H](C)[C@H]2C[NH2+]CCO2)nc(OC)c1[N+](=O)[O-] ZINC001159496588 766005042 /nfs/dbraw/zinc/00/50/42/766005042.db2.gz KJXCDNKXFQOSJE-HTQZYQBOSA-N 1 0 313.314 0.191 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001136594316 766365183 /nfs/dbraw/zinc/36/51/83/766365183.db2.gz LKRRRUMTALZVKI-UHFFFAOYSA-N 1 0 305.722 0.279 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001118861492 766451458 /nfs/dbraw/zinc/45/14/58/766451458.db2.gz JJUPGRKIOTUSLS-OUJBWJOFSA-N 1 0 320.349 0.639 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001118977207 766493802 /nfs/dbraw/zinc/49/38/02/766493802.db2.gz YKIQXMQEARHQPH-RYUDHWBXSA-N 1 0 318.333 0.126 20 5 DCBDRO NC(=O)CN1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001120559931 767078635 /nfs/dbraw/zinc/07/86/35/767078635.db2.gz ZQUUCBGVMGMCAC-CQSZACIVSA-N 1 0 322.365 0.168 20 5 DCBDRO CC(C)C[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC001120571313 767082242 /nfs/dbraw/zinc/08/22/42/767082242.db2.gz ZPWSCTSESBGPFK-OCCSQVGLSA-N 1 0 313.402 0.718 20 5 DCBDRO COC(=O)c1nc(Cl)nc(NC/C=C/C[NH3+])c1[N+](=O)[O-] ZINC001160976820 767493518 /nfs/dbraw/zinc/49/35/18/767493518.db2.gz JSYHSSFMSOUFCY-NSCUHMNNSA-N 1 0 301.690 0.752 20 5 DCBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001121381253 767535475 /nfs/dbraw/zinc/53/54/75/767535475.db2.gz QGOKAJLAHAOWTR-RISCZKNCSA-N 1 0 308.386 0.412 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001137732867 768389411 /nfs/dbraw/zinc/38/94/11/768389411.db2.gz SIQWITCANWRIJB-GXTWGEPZSA-N 1 0 311.338 0.057 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCCNc1cc[nH+]cc1 ZINC001203059110 768543809 /nfs/dbraw/zinc/54/38/09/768543809.db2.gz BVBACIWFPREHRH-UHFFFAOYSA-N 1 0 316.321 0.771 20 5 DCBDRO Cc1ccnc(NCCNC(=O)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001093652339 768672017 /nfs/dbraw/zinc/67/20/17/768672017.db2.gz NJDCXHFXSHSFCM-UHFFFAOYSA-N 1 0 307.354 0.922 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](CO)C(N)=O)c1F ZINC001173184284 769556426 /nfs/dbraw/zinc/55/64/26/769556426.db2.gz PPHLGTGBRHWSTE-APPZFPTMSA-N 1 0 315.301 0.109 20 5 DCBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N1CCOCC1 ZINC001173215382 769562127 /nfs/dbraw/zinc/56/21/27/769562127.db2.gz VVDHYOHMFKKVKU-LBPRGKRZSA-N 1 0 307.350 0.974 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2c1C(=O)NCC2 ZINC001234650652 769716818 /nfs/dbraw/zinc/71/68/18/769716818.db2.gz GKFGFTLAQVWZSU-GFCCVEGCSA-O 1 0 307.370 0.335 20 5 DCBDRO CC[N@@H+]1CC[C@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001153245684 769760591 /nfs/dbraw/zinc/76/05/91/769760591.db2.gz KRRXCXUQTUNALC-ZDUSSCGKSA-N 1 0 320.349 0.535 20 5 DCBDRO NC(=O)CCCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001153473250 769823750 /nfs/dbraw/zinc/82/37/50/769823750.db2.gz PLSRUZKGCRXVHP-UHFFFAOYSA-N 1 0 314.367 0.518 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC001175489881 769909059 /nfs/dbraw/zinc/90/90/59/769909059.db2.gz CCIMVPMTOPQTRQ-UHFFFAOYSA-N 1 0 323.353 0.691 20 5 DCBDRO Cc1cnc(NCc2nnn3c2C[NH2+]CCC3)c([N+](=O)[O-])c1 ZINC001155389966 770487492 /nfs/dbraw/zinc/48/74/92/770487492.db2.gz MJLPLIBFFPYTEW-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NCc2noc3c2C[NH2+]CC3)n1 ZINC001155497432 770525115 /nfs/dbraw/zinc/52/51/15/770525115.db2.gz OGJYNQJZWJLIJD-UHFFFAOYSA-N 1 0 320.309 0.948 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncnc3cccc([N+](=O)[O-])c32)N1 ZINC001155581870 770554583 /nfs/dbraw/zinc/55/45/83/770554583.db2.gz VQUMFIZVXPLJTM-HZMBPMFUSA-N 1 0 314.305 0.528 20 5 DCBDRO COc1ncnc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001155599258 770561011 /nfs/dbraw/zinc/56/10/11/770561011.db2.gz SEBKAIWZHDPMKH-QMTHXVAHSA-N 1 0 323.353 0.964 20 5 DCBDRO COc1ncnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001155623563 770568733 /nfs/dbraw/zinc/56/87/33/770568733.db2.gz TXEMKULAPVMXHB-ZANVPECISA-N 1 0 309.326 0.716 20 5 DCBDRO CSCCCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001155978860 770677269 /nfs/dbraw/zinc/67/72/69/770677269.db2.gz IKRLAJQOHFJBSQ-UHFFFAOYSA-N 1 0 312.399 0.959 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1CC=CC1 ZINC001156054851 770704946 /nfs/dbraw/zinc/70/49/46/770704946.db2.gz AUDVQRXQGDHZFK-UHFFFAOYSA-N 1 0 307.354 0.890 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC001178455661 770758227 /nfs/dbraw/zinc/75/82/27/770758227.db2.gz KBHHWSRLVNRJNL-QWRGUYRKSA-N 1 0 324.385 0.648 20 5 DCBDRO CCNC(=O)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001156861789 770947317 /nfs/dbraw/zinc/94/73/17/770947317.db2.gz BZHGKSIRGQSBJL-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1ccoc1 ZINC001156966309 770984316 /nfs/dbraw/zinc/98/43/16/770984316.db2.gz OIUJXBQFYCZHMI-UHFFFAOYSA-N 1 0 321.337 0.760 20 5 DCBDRO COc1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157767836 771667075 /nfs/dbraw/zinc/66/70/75/771667075.db2.gz XAAZSFGSBIEBOR-ZIAGYGMSSA-N 1 0 307.350 0.956 20 5 DCBDRO O=C(NCCC[NH2+]CCCCCn1cncn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157775008 771670242 /nfs/dbraw/zinc/67/02/42/771670242.db2.gz HJXPIQIGVBYSPZ-CHWSQXEVSA-N 1 0 324.385 0.210 20 5 DCBDRO [NH3+][C@H]1CCc2nn(-c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C1 ZINC001157979747 771706364 /nfs/dbraw/zinc/70/63/64/771706364.db2.gz IEAVCFXWRBLAGO-QMMMGPOBSA-N 1 0 304.266 0.900 20 5 DCBDRO O=C(N[C@H]1CCCN(CCF)C1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001183849081 771707903 /nfs/dbraw/zinc/70/79/03/771707903.db2.gz DCHYZXADSMUKSY-VIFPVBQESA-N 1 0 312.301 0.859 20 5 DCBDRO Nc1cc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)ncc1[N+](=O)[O-] ZINC001158260020 771748760 /nfs/dbraw/zinc/74/87/60/771748760.db2.gz BYEKXGFAKBTUEV-SNVBAGLBSA-N 1 0 306.370 0.574 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])n1 ZINC001159241153 771882395 /nfs/dbraw/zinc/88/23/95/771882395.db2.gz WXNZKSUMDYLGAH-WZRBSPASSA-N 1 0 311.342 0.830 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc(OC)c([N+](=O)[O-])cn1 ZINC001159755556 771953576 /nfs/dbraw/zinc/95/35/76/771953576.db2.gz SIOOLTDLTWIPJJ-RKDXNWHRSA-N 1 0 310.310 0.561 20 5 DCBDRO C[C@@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001186881478 772100321 /nfs/dbraw/zinc/10/03/21/772100321.db2.gz STATZEHXBJQNOR-SNVBAGLBSA-N 1 0 322.369 0.657 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)c1 ZINC001162131304 772331240 /nfs/dbraw/zinc/33/12/40/772331240.db2.gz RTQMVLUPUBRPAB-UHFFFAOYSA-N 1 0 317.323 0.106 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1nccc(OC)c1[N+](=O)[O-] ZINC001162531667 772386847 /nfs/dbraw/zinc/38/68/47/772386847.db2.gz GPQFGEWZDAETRR-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO COc1nc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)nc(OC)c1[N+](=O)[O-] ZINC001162792914 772418816 /nfs/dbraw/zinc/41/88/16/772418816.db2.gz JAHMAUUSNRYLQX-XHNCKOQMSA-N 1 0 307.310 0.588 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001162803388 772420852 /nfs/dbraw/zinc/42/08/52/772420852.db2.gz RFUCILQZJVWDLK-KXUCPTDWSA-N 1 0 304.306 0.962 20 5 DCBDRO COc1ccc(NCc2nnn3c2C[NH2+]CCC3)nc1[N+](=O)[O-] ZINC001162972599 772437264 /nfs/dbraw/zinc/43/72/64/772437264.db2.gz HMDORRXQMGTYFL-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO CCOC(=O)c1cnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c([N+](=O)[O-])c1 ZINC001163190953 772479203 /nfs/dbraw/zinc/47/92/03/772479203.db2.gz CTGWLMSRIONPKH-QMTHXVAHSA-N 1 0 322.321 0.709 20 5 DCBDRO C[C@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])c1ccno1 ZINC001163207493 772482480 /nfs/dbraw/zinc/48/24/80/772482480.db2.gz BPKXFFVKVPJYHZ-VIFPVBQESA-N 1 0 319.325 0.956 20 5 DCBDRO CN(C)c1ccc(N(C)S(=O)(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC001164297544 772640526 /nfs/dbraw/zinc/64/05/26/772640526.db2.gz XUEGRJIQEHHIPT-UHFFFAOYSA-N 1 0 302.356 0.386 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CN1 ZINC001164308477 772643549 /nfs/dbraw/zinc/64/35/49/772643549.db2.gz LSFWKEXSWKFJNT-JQWIXIFHSA-N 1 0 306.322 0.513 20 5 DCBDRO COc1nc(N2C[C@H](C[NH3+])CC[C@@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001164463284 772663588 /nfs/dbraw/zinc/66/35/88/772663588.db2.gz ZCXOBAZGTDQDIY-IUCAKERBSA-N 1 0 311.342 0.966 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3COC[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001165268965 772713904 /nfs/dbraw/zinc/71/39/04/772713904.db2.gz QGUWZCFEZGYMRU-KOLCDFICSA-N 1 0 305.338 0.544 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001165288875 772718904 /nfs/dbraw/zinc/71/89/04/772718904.db2.gz WTYVHKPXZVEAIN-BXKDBHETSA-N 1 0 323.309 0.713 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N2C[C@@H]3C[C@]3([NH3+])C2)c1[N+](=O)[O-] ZINC001165313629 772722922 /nfs/dbraw/zinc/72/29/22/772722922.db2.gz LCJBTOQPXDXEDN-DYEAUMGKSA-N 1 0 313.701 0.362 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001165440256 772737773 /nfs/dbraw/zinc/73/77/73/772737773.db2.gz YOONSEVTNJOJON-SECBINFHSA-N 1 0 310.310 0.258 20 5 DCBDRO COc1ncnc(-n2ccc([C@@H]3CCC[NH2+]3)nc2=N)c1[N+](=O)[O-] ZINC001166702283 772844062 /nfs/dbraw/zinc/84/40/62/772844062.db2.gz XEZQVISRFPNNKJ-QMMMGPOBSA-N 1 0 317.309 0.483 20 5 DCBDRO COC(=O)C1(Nc2ncnc(Cl)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166922577 772880207 /nfs/dbraw/zinc/88/02/07/772880207.db2.gz FOTCDHIVSXIGMY-UHFFFAOYSA-N 1 0 315.717 0.745 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCOCC(F)F)CC1 ZINC001200471929 774359049 /nfs/dbraw/zinc/35/90/49/774359049.db2.gz LSYXYCRHFUNELW-GHMZBOCLSA-N 1 0 321.324 0.514 20 5 DCBDRO COc1ccnc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1OC ZINC001223097534 775462750 /nfs/dbraw/zinc/46/27/50/775462750.db2.gz IZYJNIDDDXIUMK-LLVKDONJSA-N 1 0 313.374 0.599 20 5 DCBDRO Cc1cc2c(cc1OC(=O)C[C@@H](O)C[N+](C)(C)C)CC(=O)N2 ZINC001225516340 775689901 /nfs/dbraw/zinc/68/99/01/775689901.db2.gz SCRAUYQMCHXGNV-GFCCVEGCSA-O 1 0 307.370 0.852 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(n1)CCCC2=O ZINC001228750802 776121229 /nfs/dbraw/zinc/12/12/29/776121229.db2.gz OLCFUKWMJPWIIG-LLVKDONJSA-N 1 0 307.370 0.963 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2c(cc1O)CCC2=O ZINC001228854556 776131325 /nfs/dbraw/zinc/13/13/25/776131325.db2.gz SJXWQPJLDFYKLU-LLVKDONJSA-O 1 0 308.354 0.884 20 5 DCBDRO CC(=O)c1c(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(C)oc1=O ZINC001229192673 776168244 /nfs/dbraw/zinc/16/82/44/776168244.db2.gz YRMGNGGNFQPLQX-LLVKDONJSA-N 1 0 312.342 0.513 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(C(F)(F)F)cnn1 ZINC001229743220 776222853 /nfs/dbraw/zinc/22/28/53/776222853.db2.gz MORHDGIQQBOHNQ-SECBINFHSA-N 1 0 308.280 0.858 20 5 DCBDRO COc1cnc(SC)nc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230031950 776245991 /nfs/dbraw/zinc/24/59/91/776245991.db2.gz GSPKHAHLBWZXJV-SECBINFHSA-N 1 0 316.403 0.570 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCC1CCOCC1 ZINC001267241010 939399898 /nfs/dbraw/zinc/39/98/98/939399898.db2.gz HTFDCOOGVDABEF-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)Cc1ccoc1 ZINC001481223812 939653046 /nfs/dbraw/zinc/65/30/46/939653046.db2.gz UZVQAHVFRVOILQ-UHFFFAOYSA-N 1 0 321.337 0.712 20 5 DCBDRO COc1ncccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001483733331 942777424 /nfs/dbraw/zinc/77/74/24/942777424.db2.gz YGOYJGNRFOBSDF-VXGBXAGGSA-N 1 0 320.349 0.494 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001317072075 944776413 /nfs/dbraw/zinc/77/64/13/944776413.db2.gz CGOPZRVOUWKCIO-KYZUINATSA-N 1 0 312.351 0.269 20 5 DCBDRO O=C(CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC001254567352 946409428 /nfs/dbraw/zinc/40/94/28/946409428.db2.gz MXLWOMCYCNSBSJ-AWEZNQCLSA-N 1 0 319.361 0.901 20 5 DCBDRO NC(=O)[C@@H]([NH3+])Cc1cn([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cn1 ZINC001254600244 946414598 /nfs/dbraw/zinc/41/45/98/946414598.db2.gz RDDHVBFGZJQWLF-KGLIPLIRSA-N 1 0 315.333 0.486 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC001262568056 947728703 /nfs/dbraw/zinc/72/87/03/947728703.db2.gz KTNXHIMGAUFWIG-ILXRZTDVSA-N 1 0 323.397 0.759 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1C[NH2+]CCN1C ZINC001263076818 947802806 /nfs/dbraw/zinc/80/28/06/947802806.db2.gz KJPQLJQLAHLOAL-LBPRGKRZSA-N 1 0 308.338 0.123 20 5 DCBDRO CCOCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001325738049 947904522 /nfs/dbraw/zinc/90/45/22/947904522.db2.gz XWZPOQRISHWLIU-XJFOESAGSA-N 1 0 311.382 0.468 20 5 DCBDRO O=C1C[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CN1 ZINC001326161004 948078693 /nfs/dbraw/zinc/07/86/93/948078693.db2.gz UHYVVKCNWBADFU-GHMZBOCLSA-N 1 0 309.322 0.060 20 5 DCBDRO CCOC(=O)[C@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC001326309821 948126102 /nfs/dbraw/zinc/12/61/02/948126102.db2.gz QWMLAIDZILHSON-CYBMUJFWSA-N 1 0 323.349 0.811 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC001326938164 948335569 /nfs/dbraw/zinc/33/55/69/948335569.db2.gz PSPHLPAQGUOADM-PWSUYJOCSA-N 1 0 323.353 0.676 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nn(C)c(C)c1C[NH3+] ZINC001327578672 948559736 /nfs/dbraw/zinc/55/97/36/948559736.db2.gz JYYBFHCDOKHJLV-UHFFFAOYSA-N 1 0 321.341 0.629 20 5 DCBDRO CCc1nocc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001490192951 950406504 /nfs/dbraw/zinc/40/65/04/950406504.db2.gz ISYJWFZYAYPVMJ-DGCLKSJQSA-N 1 0 310.354 0.840 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001331514347 951151266 /nfs/dbraw/zinc/15/12/66/951151266.db2.gz FBJFCECOZAULHM-SNVBAGLBSA-N 1 0 322.365 0.634 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])ccc3F)C2)CC1 ZINC001333282392 951988307 /nfs/dbraw/zinc/98/83/07/951988307.db2.gz RLYGGDPUTFTMBE-UHFFFAOYSA-N 1 0 322.340 0.806 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001334868487 952404458 /nfs/dbraw/zinc/40/44/58/952404458.db2.gz QFJYSMRRADCFBX-LBPRGKRZSA-N 1 0 320.349 0.453 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]CCC12CCOCC2 ZINC001335331420 952521237 /nfs/dbraw/zinc/52/12/37/952521237.db2.gz OUKZQWGTFSHUQK-UHFFFAOYSA-N 1 0 323.353 0.162 20 5 DCBDRO NC(=O)CN1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001335344853 952523615 /nfs/dbraw/zinc/52/36/15/952523615.db2.gz HCTRFNOFQZUUNS-CQSZACIVSA-N 1 0 322.365 0.168 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001340875698 953201157 /nfs/dbraw/zinc/20/11/57/953201157.db2.gz RKUOAEHOWZMCBO-UHFFFAOYSA-N 1 0 322.365 0.274 20 5 DCBDRO COC(=O)CC(C)(C)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001340962677 953204406 /nfs/dbraw/zinc/20/44/06/953204406.db2.gz OXUDSZRYPYUIIJ-LLVKDONJSA-N 1 0 314.342 0.426 20 5 DCBDRO CN(CC1CC[NH2+]CC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001342122206 953271260 /nfs/dbraw/zinc/27/12/60/953271260.db2.gz XTUULJGIORECFV-UHFFFAOYSA-N 1 0 308.338 0.215 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001346296513 953848637 /nfs/dbraw/zinc/84/86/37/953848637.db2.gz NDMSUSNWIXKDMM-SMDDNHRTSA-N 1 0 304.350 0.599 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC001346404353 953882943 /nfs/dbraw/zinc/88/29/43/953882943.db2.gz CDVUKKYKZPEPIO-UHFFFAOYSA-N 1 0 321.381 0.342 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348595087 954379550 /nfs/dbraw/zinc/37/95/50/954379550.db2.gz HFGOIPIHKWERDR-UHFFFAOYSA-N 1 0 320.349 0.553 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC001353612637 956125231 /nfs/dbraw/zinc/12/52/31/956125231.db2.gz FORZYOOHZUXIKV-RDBSUJKOSA-N 1 0 305.334 0.884 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC001354450823 956393986 /nfs/dbraw/zinc/39/39/86/956393986.db2.gz SJVJVFXHXFNJBL-OKILXGFUSA-N 1 0 307.354 0.558 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC001357474613 957294377 /nfs/dbraw/zinc/29/43/77/957294377.db2.gz PGOJXFINEQDUTO-OLZOCXBDSA-N 1 0 321.381 0.948 20 5 DCBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1CO ZINC001358040374 957418920 /nfs/dbraw/zinc/41/89/20/957418920.db2.gz YPGYGTZWISCLCG-HZSPNIEDSA-N 1 0 305.334 0.491 20 5 DCBDRO C[NH+](C)C1(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CCOCC1 ZINC001465205035 1015988824 /nfs/dbraw/zinc/98/88/24/1015988824.db2.gz KJEHUPDDDWYMRV-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO CCO[C@@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC001471760805 1016644516 /nfs/dbraw/zinc/64/45/16/1016644516.db2.gz RUJXUUIOEKFGJU-ZETCQYMHSA-N 1 0 319.749 0.668 20 5 DCBDRO CCO[C@H](CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)C[NH+](C)C ZINC001471760804 1016644890 /nfs/dbraw/zinc/64/48/90/1016644890.db2.gz RUJXUUIOEKFGJU-SSDOTTSWSA-N 1 0 319.749 0.668 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001514598077 1016987298 /nfs/dbraw/zinc/98/72/98/1016987298.db2.gz WBUVNSPWJQVWLG-NSHDSACASA-N 1 0 308.338 0.454 20 5 DCBDRO C[C@H]1[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@@H+]1C ZINC001477127167 1017255438 /nfs/dbraw/zinc/25/54/38/1017255438.db2.gz GAFYOUIFLKMLKY-KWQFWETISA-N 1 0 321.337 0.908 20 5 DCBDRO COc1cc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001456302345 1010181431 /nfs/dbraw/zinc/18/14/31/1010181431.db2.gz VUONGDFFOPIBPZ-NSHDSACASA-N 1 0 321.333 0.806 20 5 DCBDRO COc1ccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001558548569 1012367109 /nfs/dbraw/zinc/36/71/09/1012367109.db2.gz DIVOYKZDYSNWRZ-NSHDSACASA-N 1 0 321.333 0.806 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC001560060758 1012440299 /nfs/dbraw/zinc/44/02/99/1012440299.db2.gz USGIWIPRNZAUFV-OKILXGFUSA-N 1 0 321.337 0.084 20 5 DCBDRO COC(=O)CCNC(=O)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001560964155 1012457636 /nfs/dbraw/zinc/45/76/36/1012457636.db2.gz HIQMSCRPUCWGDO-UHFFFAOYSA-N 1 0 323.349 0.796 20 5 DCBDRO C[N@H+](CCn1cnnc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001460752151 1012964193 /nfs/dbraw/zinc/96/41/93/1012964193.db2.gz KTPLSDFJHMZANR-LBPRGKRZSA-N 1 0 321.337 0.558 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH2+]CCC12CCC2 ZINC001522448075 1017510647 /nfs/dbraw/zinc/51/06/47/1017510647.db2.gz YVFOGPWZCGEPTL-UHFFFAOYSA-N 1 0 307.354 0.844 20 5 DCBDRO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000172293001 198072187 /nfs/dbraw/zinc/07/21/87/198072187.db2.gz NOZGXMYJTMYGHB-LLVKDONJSA-N 1 0 320.349 0.943 20 5 DCBDRO CCC[NH2+]CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000236796804 202013827 /nfs/dbraw/zinc/01/38/27/202013827.db2.gz FUKXJQFZDRSIBI-NSHDSACASA-N 1 0 322.365 0.829 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000153012328 237010887 /nfs/dbraw/zinc/01/08/87/237010887.db2.gz UOWLFHNQLVDLNO-AWEZNQCLSA-N 1 0 311.338 0.402 20 5 DCBDRO CNc1ccc(C(=O)NCCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000318508754 291255402 /nfs/dbraw/zinc/25/54/02/291255402.db2.gz YRYDOIDUUIXBED-UHFFFAOYSA-N 1 0 310.354 0.945 20 5 DCBDRO C[NH+](C)[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000566425472 291300551 /nfs/dbraw/zinc/30/05/51/291300551.db2.gz CWVDZWVCRAEOQO-STQMWFEESA-N 1 0 301.293 0.980 20 5 DCBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422740448 240182142 /nfs/dbraw/zinc/18/21/42/240182142.db2.gz BTQYMZCEDHLKHL-LLVKDONJSA-N 1 0 307.306 0.863 20 5 DCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000567166182 291340673 /nfs/dbraw/zinc/34/06/73/291340673.db2.gz RADROAYUOCTQCJ-UWVGGRQHSA-N 1 0 314.367 0.786 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(CCOc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000567250127 291345214 /nfs/dbraw/zinc/34/52/14/291345214.db2.gz BLPWHJJWKLFCHB-JSGCOSHPSA-N 1 0 320.349 0.217 20 5 DCBDRO CC(=O)c1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000569021432 291459112 /nfs/dbraw/zinc/45/91/12/291459112.db2.gz YSPHTQNQBSTVDX-DGCLKSJQSA-N 1 0 318.333 0.546 20 5 DCBDRO CC(C)[C@H](O)C(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569223492 291467662 /nfs/dbraw/zinc/46/76/62/291467662.db2.gz YMWWREXOKYINHA-OLZOCXBDSA-N 1 0 314.386 0.785 20 5 DCBDRO C[NH2+]CCN(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000263276411 203451901 /nfs/dbraw/zinc/45/19/01/203451901.db2.gz YLRQXARXOIRBEZ-UHFFFAOYSA-N 1 0 308.338 0.393 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000264970106 204312036 /nfs/dbraw/zinc/31/20/36/204312036.db2.gz DXLNMZFBFRUWMB-NSHDSACASA-N 1 0 322.369 0.071 20 5 DCBDRO COCCCn1nccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000282593991 217112464 /nfs/dbraw/zinc/11/24/64/217112464.db2.gz HFRIPDAILLBNOD-UHFFFAOYSA-N 1 0 308.342 0.814 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](CO)C2CC2)c1 ZINC000572523537 291573117 /nfs/dbraw/zinc/57/31/17/291573117.db2.gz FXLYHSNHCMPGAB-JSGCOSHPSA-N 1 0 310.350 0.943 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574876870 291721708 /nfs/dbraw/zinc/72/17/08/291721708.db2.gz DJHPNAMWHAJCPD-NEPJUHHUSA-N 1 0 307.354 0.639 20 5 DCBDRO CC(C)(CO)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000339726676 253134380 /nfs/dbraw/zinc/13/43/80/253134380.db2.gz RJQBJYFLWCFKLV-CHWSQXEVSA-N 1 0 312.370 0.539 20 5 DCBDRO C[C@H](C[NH+](C)C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000346132786 254013661 /nfs/dbraw/zinc/01/36/61/254013661.db2.gz IKWUVVJENDLULQ-LLVKDONJSA-N 1 0 322.365 0.781 20 5 DCBDRO C[NH+](C)C/C=C/C(=O)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000271654705 209098725 /nfs/dbraw/zinc/09/87/25/209098725.db2.gz LIXVMLKWOCQJBT-MXKYZYEVSA-N 1 0 323.349 0.223 20 5 DCBDRO C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000351517387 254341693 /nfs/dbraw/zinc/34/16/93/254341693.db2.gz NIDSVSHXYYJYEE-SECBINFHSA-N 1 0 324.312 0.740 20 5 DCBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000352110159 254399398 /nfs/dbraw/zinc/39/93/98/254399398.db2.gz AJOZVPCPEGLYBT-ZDUSSCGKSA-N 1 0 313.358 0.000 20 5 DCBDRO O=C1CCCN1[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000270571920 395785393 /nfs/dbraw/zinc/78/53/93/395785393.db2.gz OANLPZMTZZOEFM-GFCCVEGCSA-N 1 0 320.349 0.453 20 5 DCBDRO C[NH+](C)CCn1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000194679981 395803518 /nfs/dbraw/zinc/80/35/18/395803518.db2.gz SHPFMIOISSBMIB-UHFFFAOYSA-N 1 0 307.314 0.188 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000108784132 395793179 /nfs/dbraw/zinc/79/31/79/395793179.db2.gz KQNSMQUZIIVAFK-LLVKDONJSA-N 1 0 307.354 0.782 20 5 DCBDRO NC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000270677968 395796026 /nfs/dbraw/zinc/79/60/26/395796026.db2.gz MHTNRJHRYIFIQV-ZYHUDNBSSA-N 1 0 324.337 0.077 20 5 DCBDRO COc1cc(S(=O)(=O)N2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000237227449 395907691 /nfs/dbraw/zinc/90/76/91/395907691.db2.gz NJCNESIVPNVTJC-UHFFFAOYSA-N 1 0 315.351 0.715 20 5 DCBDRO CN1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000273334664 395914178 /nfs/dbraw/zinc/91/41/78/395914178.db2.gz MOVWVNADNNXNIF-AAEUAGOBSA-N 1 0 323.349 0.497 20 5 DCBDRO CN1CC[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000273334668 395914198 /nfs/dbraw/zinc/91/41/98/395914198.db2.gz MOVWVNADNNXNIF-WCQYABFASA-N 1 0 323.349 0.497 20 5 DCBDRO CSC[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247302686 395971839 /nfs/dbraw/zinc/97/18/39/395971839.db2.gz UVKAIVBZYDZEOK-ZYHUDNBSSA-N 1 0 300.384 0.980 20 5 DCBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151709241 395990653 /nfs/dbraw/zinc/99/06/53/395990653.db2.gz TWDVXMPDSZHCSK-GFCCVEGCSA-N 1 0 324.385 0.917 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@@H](C)C1 ZINC000248667389 395993888 /nfs/dbraw/zinc/99/38/88/395993888.db2.gz PPPFZLBHIDTBTL-QWRGUYRKSA-N 1 0 320.353 0.529 20 5 DCBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000153872068 396027312 /nfs/dbraw/zinc/02/73/12/396027312.db2.gz KSBDLGFAZUXNRK-ZDUSSCGKSA-N 1 0 309.370 0.980 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000261762138 396062988 /nfs/dbraw/zinc/06/29/88/396062988.db2.gz LVUPYDBVHZKBBZ-NSHDSACASA-N 1 0 317.371 0.171 20 5 DCBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261973955 396086192 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/nfs/dbraw/zinc/30/04/01/396300401.db2.gz SEEIHRHUFYLDDT-CYBMUJFWSA-N 1 0 307.354 0.962 20 5 DCBDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000185572555 396330648 /nfs/dbraw/zinc/33/06/48/396330648.db2.gz KYOHMKCMHLRZNW-UHFFFAOYSA-N 1 0 310.358 0.527 20 5 DCBDRO C[C@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000187106826 396363786 /nfs/dbraw/zinc/36/37/86/396363786.db2.gz SPQUQBXOBGUEIQ-SNVBAGLBSA-N 1 0 323.353 0.061 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C2CC2)CC1 ZINC000192749089 396436685 /nfs/dbraw/zinc/43/66/85/396436685.db2.gz XKPCHNHCHNMBGN-UHFFFAOYSA-N 1 0 307.354 0.782 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000580893239 396508707 /nfs/dbraw/zinc/50/87/07/396508707.db2.gz NBEMRKUKIFCERK-NSHDSACASA-N 1 0 309.370 0.516 20 5 DCBDRO C[C@H](CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])C[NH+](C)C ZINC000291786729 396512129 /nfs/dbraw/zinc/51/21/29/396512129.db2.gz IOBJZALILXUZMC-SECBINFHSA-N 1 0 316.383 0.852 20 5 DCBDRO CCc1nn(C)c(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)c1[N+](=O)[O-] ZINC000288911222 396449374 /nfs/dbraw/zinc/44/93/74/396449374.db2.gz OSBNCSGOOKKTHM-LLVKDONJSA-N 1 0 324.385 0.642 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822609 396473488 /nfs/dbraw/zinc/47/34/88/396473488.db2.gz STUATXDBNKFUDL-ONGXEEELSA-N 1 0 307.354 0.865 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000291166980 396480145 /nfs/dbraw/zinc/48/01/45/396480145.db2.gz QMUOIABMOYTYEX-UHFFFAOYSA-N 1 0 324.385 0.384 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000579979062 396482863 /nfs/dbraw/zinc/48/28/63/396482863.db2.gz OOZLJYXCDBJRBZ-DTWKUNHWSA-N 1 0 310.335 0.040 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+]C/C=C\CO)cc1[N+](=O)[O-] ZINC000594976267 396543245 /nfs/dbraw/zinc/54/32/45/396543245.db2.gz XYQCMZDIDWPWNG-IHWYPQMZSA-N 1 0 310.306 0.785 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000595054184 396545946 /nfs/dbraw/zinc/54/59/46/396545946.db2.gz ZAPNEDXMHDJMQH-ZYHUDNBSSA-N 1 0 321.337 0.907 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000373057087 396562566 /nfs/dbraw/zinc/56/25/66/396562566.db2.gz NHQRZXFTWUYZIB-MFKMUULPSA-N 1 0 311.363 0.967 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595222547 396566144 /nfs/dbraw/zinc/56/61/44/396566144.db2.gz MPPQQABFEOBWPF-LBPRGKRZSA-N 1 0 322.369 0.425 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000530614589 396579003 /nfs/dbraw/zinc/57/90/03/396579003.db2.gz QZXVNBVVMDSDQZ-UHFFFAOYSA-N 1 0 322.365 0.870 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC1 ZINC000533571720 396606180 /nfs/dbraw/zinc/60/61/80/396606180.db2.gz ZQVSMWCAHDMGKG-UHFFFAOYSA-N 1 0 308.338 0.979 20 5 DCBDRO CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000293747067 396630467 /nfs/dbraw/zinc/63/04/67/396630467.db2.gz XUSCWUIBTADKQO-PWSUYJOCSA-N 1 0 316.383 0.737 20 5 DCBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000595565289 396632383 /nfs/dbraw/zinc/63/23/83/396632383.db2.gz DWDATPHVIFDGSH-LLVKDONJSA-N 1 0 324.385 0.963 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595922279 396682442 /nfs/dbraw/zinc/68/24/42/396682442.db2.gz DASRLPBYJFJDJG-STQMWFEESA-N 1 0 308.338 0.487 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863558 396695785 /nfs/dbraw/zinc/69/57/85/396695785.db2.gz QBRACHCNBULZLO-KGLIPLIRSA-N 1 0 305.334 0.876 20 5 DCBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588863622 396695826 /nfs/dbraw/zinc/69/58/26/396695826.db2.gz RXSIZFFWKQIXIM-NEPJUHHUSA-N 1 0 305.334 0.876 20 5 DCBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863626 396696118 /nfs/dbraw/zinc/69/61/18/396696118.db2.gz RXSIZFFWKQIXIM-NWDGAFQWSA-N 1 0 305.334 0.876 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000588866989 396696591 /nfs/dbraw/zinc/69/65/91/396696591.db2.gz UYDSQIPZYGNMKN-CYBMUJFWSA-N 1 0 324.381 0.826 20 5 DCBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1COC[C@H]1O ZINC000296048855 396703775 /nfs/dbraw/zinc/70/37/75/396703775.db2.gz UYWXFQUAWSSBCF-OASPWFOLSA-N 1 0 309.322 0.661 20 5 DCBDRO O=c1[nH]ccc(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000596111724 396718351 /nfs/dbraw/zinc/71/83/51/396718351.db2.gz BQBGZQOUOMGILC-PWSUYJOCSA-N 1 0 308.338 0.731 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(N)c([N+](=O)[O-])n3)CC2)C1 ZINC000596129562 396722217 /nfs/dbraw/zinc/72/22/17/396722217.db2.gz SEVVIOPJSQTUAY-GFCCVEGCSA-N 1 0 320.397 0.788 20 5 DCBDRO CC(C)N(CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000314547476 396782553 /nfs/dbraw/zinc/78/25/53/396782553.db2.gz DQPBAXSZUSZWLM-AWEZNQCLSA-N 1 0 313.402 0.861 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000314582495 396782992 /nfs/dbraw/zinc/78/29/92/396782992.db2.gz PRIWIZGTSWJWFI-FZMZJTMJSA-N 1 0 309.370 0.226 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000563899341 396792110 /nfs/dbraw/zinc/79/21/10/396792110.db2.gz UEUPQIRVHFUCII-SCZZXKLOSA-N 1 0 324.312 0.491 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326736 396730268 /nfs/dbraw/zinc/73/02/68/396730268.db2.gz SVRHNZZURZSZDB-JSGCOSHPSA-N 1 0 311.386 0.426 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596199062 396730381 /nfs/dbraw/zinc/73/03/81/396730381.db2.gz BBKKXFAATUINMS-MNOVXSKESA-N 1 0 322.365 0.585 20 5 DCBDRO COC1CC[NH+](CCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000610571713 396730810 /nfs/dbraw/zinc/73/08/10/396730810.db2.gz ZLBUWIMGUTYWSE-UHFFFAOYSA-N 1 0 310.354 0.774 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596234399 396741100 /nfs/dbraw/zinc/74/11/00/396741100.db2.gz JJLAPCOCDRTUOC-UHFFFAOYSA-N 1 0 323.397 0.989 20 5 DCBDRO NC(=O)c1cc(NC[C@@H]2CCC[N@@H+]2CCCO)ccc1[N+](=O)[O-] ZINC000596257485 396745363 /nfs/dbraw/zinc/74/53/63/396745363.db2.gz LAIOLNSAYCRSAU-LBPRGKRZSA-N 1 0 322.365 0.952 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC000305780687 396752784 /nfs/dbraw/zinc/75/27/84/396752784.db2.gz TUNMGOXWWPZBAB-IUCAKERBSA-N 1 0 312.248 0.007 20 5 DCBDRO NC(=O)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611249327 396847052 /nfs/dbraw/zinc/84/70/52/396847052.db2.gz BNDVRKGUHYSTTO-VIFPVBQESA-N 1 0 307.306 0.673 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000331639535 396874068 /nfs/dbraw/zinc/87/40/68/396874068.db2.gz PIEPCKZVRVHHBF-GHMZBOCLSA-N 1 0 307.354 0.819 20 5 DCBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1COCCN1 ZINC000600679092 396915878 /nfs/dbraw/zinc/91/58/78/396915878.db2.gz ZIIDPZGBCBGABM-YPMHNXCESA-N 1 0 322.365 0.890 20 5 DCBDRO CC(C)CC[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600759102 396939504 /nfs/dbraw/zinc/93/95/04/396939504.db2.gz ZEJAYTJTSDZRCR-DGCLKSJQSA-N 1 0 300.359 0.539 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000600808315 396947364 /nfs/dbraw/zinc/94/73/64/396947364.db2.gz LDVFFZKYNMQGEG-JTQLQIEISA-N 1 0 323.305 0.120 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000612030334 396983755 /nfs/dbraw/zinc/98/37/55/396983755.db2.gz CWRAXSFRDAWKBT-RWMBFGLXSA-N 1 0 307.350 0.486 20 5 DCBDRO O=C1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])N1 ZINC000591763686 396998195 /nfs/dbraw/zinc/99/81/95/396998195.db2.gz BNHQNIABXZFHGU-NEPJUHHUSA-N 1 0 323.349 0.593 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571940085 397003879 /nfs/dbraw/zinc/00/38/79/397003879.db2.gz RLDMUEFEXFICDS-WCQYABFASA-N 1 0 318.333 0.287 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000597619324 397034273 /nfs/dbraw/zinc/03/42/73/397034273.db2.gz FVUNAJWILAMZJU-LLVKDONJSA-N 1 0 323.353 0.645 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](N2CCOCC2)C1 ZINC000597708593 397071241 /nfs/dbraw/zinc/07/12/41/397071241.db2.gz CDYYXWMFFBHZPV-GFCCVEGCSA-N 1 0 322.365 0.870 20 5 DCBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000377511365 397090378 /nfs/dbraw/zinc/09/03/78/397090378.db2.gz JJPSFTVWJGZJMU-MWLCHTKSSA-N 1 0 322.321 0.288 20 5 DCBDRO COc1ccc(CC(=O)N[C@@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000597654514 397046264 /nfs/dbraw/zinc/04/62/64/397046264.db2.gz SFLDSXWFCTZACH-LLVKDONJSA-N 1 0 311.338 0.185 20 5 DCBDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618970400 397049377 /nfs/dbraw/zinc/04/93/77/397049377.db2.gz BWENMFVJKINQPU-BONVTDFDSA-N 1 0 324.333 0.996 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000592198313 397124158 /nfs/dbraw/zinc/12/41/58/397124158.db2.gz NMSOAYAYHGYWLJ-OCCSQVGLSA-N 1 0 308.334 0.993 20 5 DCBDRO [NH3+]CC1(O)CCN(C(=O)CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000592343056 397156609 /nfs/dbraw/zinc/15/66/09/397156609.db2.gz IZEYTLWGPZSAPZ-UHFFFAOYSA-N 1 0 322.365 0.709 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000592387282 397165973 /nfs/dbraw/zinc/16/59/73/397165973.db2.gz FMWDOKLGCWBKSO-VIFPVBQESA-N 1 0 317.371 0.232 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000592428648 397174172 /nfs/dbraw/zinc/17/41/72/397174172.db2.gz KWJWTNMAPRKPAI-BMIGLBTASA-N 1 0 323.349 0.914 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000592431975 397176820 /nfs/dbraw/zinc/17/68/20/397176820.db2.gz AJENWNBFQUEOHN-GZMMTYOYSA-N 1 0 324.255 0.847 20 5 DCBDRO C[C@@]1(NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000598668434 397272398 /nfs/dbraw/zinc/27/23/98/397272398.db2.gz OZFJZRWWNOSJJA-CQSZACIVSA-N 1 0 321.337 0.585 20 5 DCBDRO O=[N+]([O-])c1ncn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000601958578 397273287 /nfs/dbraw/zinc/27/32/87/397273287.db2.gz NOMVLXRFLOBKQU-CQSZACIVSA-N 1 0 303.322 0.823 20 5 DCBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000592963648 397306172 /nfs/dbraw/zinc/30/61/72/397306172.db2.gz BETPRLDRVBMSII-DNIRFERGSA-N 1 0 317.349 0.753 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598914472 397307666 /nfs/dbraw/zinc/30/76/66/397307666.db2.gz FOVXDYWXNFPGFA-UWVGGRQHSA-N 1 0 306.322 0.729 20 5 DCBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598916329 397307749 /nfs/dbraw/zinc/30/77/49/397307749.db2.gz YANCUSRCOGVBMZ-ZUZCIYMTSA-N 1 0 318.333 0.873 20 5 DCBDRO C[C@@](C[NH3+])(NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598914538 397307754 /nfs/dbraw/zinc/30/77/54/397307754.db2.gz HBFITYOWILTBNU-AWEZNQCLSA-N 1 0 306.322 0.777 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000598916297 397307764 /nfs/dbraw/zinc/30/77/64/397307764.db2.gz XCFXVKUNRFKKRL-KOLCDFICSA-N 1 0 306.322 0.790 20 5 DCBDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000577653518 397351015 /nfs/dbraw/zinc/35/10/15/397351015.db2.gz AGOGDYTUXXFMSI-UHFFFAOYSA-N 1 0 318.337 0.917 20 5 DCBDRO Cc1ncsc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000577387024 397328598 /nfs/dbraw/zinc/32/85/98/397328598.db2.gz YQYMZKVNRWMKEY-LLVKDONJSA-N 1 0 311.367 0.749 20 5 DCBDRO NC(=O)c1ccnc(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000578585427 397455329 /nfs/dbraw/zinc/45/53/29/397455329.db2.gz FKDRMHAHYFITOG-SNVBAGLBSA-N 1 0 305.338 0.763 20 5 DCBDRO CO[C@@]1(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCOC1 ZINC000602437928 397401984 /nfs/dbraw/zinc/40/19/84/397401984.db2.gz FOLHSFBRZAQIQP-OAHLLOKOSA-N 1 0 322.365 0.917 20 5 DCBDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000578865762 397494284 /nfs/dbraw/zinc/49/42/84/397494284.db2.gz OZLNMACLMRSPHQ-LBPRGKRZSA-N 1 0 322.365 0.845 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000602789503 397486336 /nfs/dbraw/zinc/48/63/36/397486336.db2.gz WIEYOEQCVQJOPZ-QWHCGFSZSA-N 1 0 310.354 0.980 20 5 DCBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000579005073 397514457 /nfs/dbraw/zinc/51/44/57/397514457.db2.gz AMDCJEWBILUBNS-AYBYRNOTSA-N 1 0 306.322 0.941 20 5 DCBDRO Cc1c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000579006565 397514924 /nfs/dbraw/zinc/51/49/24/397514924.db2.gz ONWCCJFJMCWEBC-JQWIXIFHSA-N 1 0 318.333 0.287 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000602836675 397498382 /nfs/dbraw/zinc/49/83/82/397498382.db2.gz QQLOMTWMAXLXEG-AWEZNQCLSA-N 1 0 323.397 0.896 20 5 DCBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](CO)C1 ZINC000602904126 397519250 /nfs/dbraw/zinc/51/92/50/397519250.db2.gz JEGWHIYQNLMGHF-GFCCVEGCSA-N 1 0 322.365 0.532 20 5 DCBDRO Cn1c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938619 397545178 /nfs/dbraw/zinc/54/51/78/397545178.db2.gz QXIWQUQSVFRUEE-GHMZBOCLSA-N 1 0 308.338 0.214 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000609311752 397769792 /nfs/dbraw/zinc/76/97/92/397769792.db2.gz VIGISRNRQPSTOU-NSHDSACASA-N 1 0 309.370 0.299 20 5 DCBDRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000609881547 397795439 /nfs/dbraw/zinc/79/54/39/397795439.db2.gz WMFOESSASPDKOY-NEPJUHHUSA-N 1 0 319.365 0.954 20 5 DCBDRO CC(C)[NH+]1CCC(NC(=O)Cn2cccc([N+](=O)[O-])c2=O)CC1 ZINC000114218488 158151776 /nfs/dbraw/zinc/15/17/76/158151776.db2.gz YZIHXZNBSLYEKJ-UHFFFAOYSA-N 1 0 322.365 0.746 20 5 DCBDRO [NH3+][C@@H](CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000126851973 158268419 /nfs/dbraw/zinc/26/84/19/158268419.db2.gz OLEADKLECMEMQI-VIFPVBQESA-N 1 0 303.315 0.750 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186832 158373691 /nfs/dbraw/zinc/37/36/91/158373691.db2.gz YMNJARHRCVEBMH-GWCFXTLKSA-N 1 0 307.354 0.986 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000318609850 159006374 /nfs/dbraw/zinc/00/63/74/159006374.db2.gz QNNZNIKFTCESCD-SNVBAGLBSA-N 1 0 305.338 0.882 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC000367195597 159321438 /nfs/dbraw/zinc/32/14/38/159321438.db2.gz JQVOMHZIDWGCMP-LLVKDONJSA-N 1 0 322.369 0.170 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000367834194 159358988 /nfs/dbraw/zinc/35/89/88/159358988.db2.gz UZJLKFPFJDWNPX-UWVGGRQHSA-N 1 0 317.342 0.882 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC000408280320 160074914 /nfs/dbraw/zinc/07/49/14/160074914.db2.gz OMDPDWABBOQDIC-PHIMTYICSA-N 1 0 307.354 0.546 20 5 DCBDRO CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000132837775 287007017 /nfs/dbraw/zinc/00/70/17/287007017.db2.gz QXZYSPIYCYXSDS-LBPRGKRZSA-N 1 0 312.757 0.963 20 5 DCBDRO CC[N@@H+]1CC[C@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000133373460 287010543 /nfs/dbraw/zinc/01/05/43/287010543.db2.gz ZJYIFRDAWSVVEG-GFCCVEGCSA-N 1 0 309.370 0.948 20 5 DCBDRO C[NH+](C)[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCSC1 ZINC000267111692 287130441 /nfs/dbraw/zinc/13/04/41/287130441.db2.gz NPLSFJLSZLXQDO-LBPRGKRZSA-N 1 0 313.383 0.345 20 5 DCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])nn1C)CN1CCOCC1 ZINC000357054308 287203160 /nfs/dbraw/zinc/20/31/60/287203160.db2.gz LKVFIUUZAFUAAE-SNVBAGLBSA-N 1 0 311.342 0.026 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357265226 287204504 /nfs/dbraw/zinc/20/45/04/287204504.db2.gz SQLMEYHQMQRCOT-JTQLQIEISA-N 1 0 322.369 0.137 20 5 DCBDRO COCC[NH2+]CCNC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415428567 287236140 /nfs/dbraw/zinc/23/61/40/287236140.db2.gz AEZZOKSQAFYFQJ-UHFFFAOYSA-N 1 0 312.326 0.961 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419149708 287269576 /nfs/dbraw/zinc/26/95/76/287269576.db2.gz LDICTPIJICDGHV-QWRGUYRKSA-N 1 0 322.365 0.744 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CCC[C@H]2C[NH3+])cc([N+](=O)[O-])c1 ZINC000422885096 287301328 /nfs/dbraw/zinc/30/13/28/287301328.db2.gz UBIMRMRMVZEUAY-NSHDSACASA-N 1 0 307.306 0.945 20 5 DCBDRO NC(=O)C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551482 415529918 /nfs/dbraw/zinc/52/99/18/415529918.db2.gz OWAWJGQPWQPTRI-LLVKDONJSA-N 1 0 308.338 0.344 20 5 DCBDRO CCn1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])n1 ZINC000353498250 415565722 /nfs/dbraw/zinc/56/57/22/415565722.db2.gz ZCCIGTIYWSJXKA-DTWKUNHWSA-N 1 0 317.371 0.182 20 5 DCBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000343783186 415728242 /nfs/dbraw/zinc/72/82/42/415728242.db2.gz QUFWKPGNLFEUAO-VXGBXAGGSA-N 1 0 322.365 0.746 20 5 DCBDRO CO[C@H]1C[C@@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])[N@H+](C)C1 ZINC000343876919 415761598 /nfs/dbraw/zinc/76/15/98/415761598.db2.gz WGNZMXOIPLWWSM-QWRGUYRKSA-N 1 0 322.365 0.849 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000290177754 415771160 /nfs/dbraw/zinc/77/11/60/415771160.db2.gz PIMPQNNZONOIFI-UWVGGRQHSA-N 1 0 307.354 0.952 20 5 DCBDRO CS[C@@H]1CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1[NH+]1CCCC1 ZINC000356114978 415871583 /nfs/dbraw/zinc/87/15/83/415871583.db2.gz JFLXVCIXMRWDFU-WDEREUQCSA-N 1 0 324.410 0.983 20 5 DCBDRO COC(=O)c1cnc(NCC[NH+]2CCC(O)CC2)c([N+](=O)[O-])c1 ZINC000295987104 415904406 /nfs/dbraw/zinc/90/44/06/415904406.db2.gz LRFUQTLOKGMKDV-UHFFFAOYSA-N 1 0 324.337 0.645 20 5 DCBDRO CC[NH+]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000344424032 415913200 /nfs/dbraw/zinc/91/32/00/415913200.db2.gz MSTOKTPLYJRHND-RYUDHWBXSA-N 1 0 322.365 0.698 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000345365218 416083793 /nfs/dbraw/zinc/08/37/93/416083793.db2.gz JVLSUTBISCOPOL-UHFFFAOYSA-N 1 0 311.386 0.547 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@H](C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000357591917 416102045 /nfs/dbraw/zinc/10/20/45/416102045.db2.gz AZVIERRQHVTKCD-SECBINFHSA-N 1 0 308.338 0.908 20 5 DCBDRO CC1=CC[N@H+](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000358058365 416180657 /nfs/dbraw/zinc/18/06/57/416180657.db2.gz COXWLRLPYZRKSJ-UHFFFAOYSA-N 1 0 305.338 0.954 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000179380562 416187374 /nfs/dbraw/zinc/18/73/74/416187374.db2.gz YLBXMPXZHYNODW-UHFFFAOYSA-N 1 0 317.367 0.418 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000358128011 416198540 /nfs/dbraw/zinc/19/85/40/416198540.db2.gz STQGFXQVMZPZJW-NSHDSACASA-N 1 0 324.337 0.201 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347410289 416217744 /nfs/dbraw/zinc/21/77/44/416217744.db2.gz FZHFHDIXQVUREI-NSHDSACASA-N 1 0 316.365 1.196 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178485516 416163879 /nfs/dbraw/zinc/16/38/79/416163879.db2.gz XJIJZWWGKQIEDF-CYBMUJFWSA-N 1 0 309.370 0.445 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359313181 416321067 /nfs/dbraw/zinc/32/10/67/416321067.db2.gz UKRFIWDRJKZPDJ-RYUDHWBXSA-N 1 0 304.350 0.993 20 5 DCBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000262008044 416336012 /nfs/dbraw/zinc/33/60/12/416336012.db2.gz IOTUYZPCQXKUAX-VIFPVBQESA-N 1 0 307.306 0.848 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000415850611 416356183 /nfs/dbraw/zinc/35/61/83/416356183.db2.gz XMPFEWMKKBCKQW-WRWORJQWSA-N 1 0 310.285 0.478 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419349623 416400172 /nfs/dbraw/zinc/40/01/72/416400172.db2.gz MQUOSKWGIAPQHO-NSHDSACASA-N 1 0 322.365 0.497 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cccc1[N+](=O)[O-] ZINC000419757149 416409094 /nfs/dbraw/zinc/40/90/94/416409094.db2.gz IADBGKTYFGBEAY-SNVBAGLBSA-N 1 0 320.349 0.340 20 5 DCBDRO COC[C@]1(C(=O)NCc2cc([N+](=O)[O-])ccc2OC)CC[NH2+]C1 ZINC000423058039 416462016 /nfs/dbraw/zinc/46/20/16/416462016.db2.gz BJHNISUUWDMXAC-HNNXBMFYSA-N 1 0 323.349 0.846 20 5 DCBDRO [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000436054533 416546139 /nfs/dbraw/zinc/54/61/39/416546139.db2.gz HQKXJRDBWALGBH-GFCCVEGCSA-N 1 0 324.385 0.111 20 5 DCBDRO O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423418348 416506910 /nfs/dbraw/zinc/50/69/10/416506910.db2.gz UMNQTAQLHFKCOJ-ZETOZRRWSA-N 1 0 317.349 0.755 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]CCOC)c1 ZINC000423498403 416516708 /nfs/dbraw/zinc/51/67/08/416516708.db2.gz BSWMAACSGUCSEQ-UHFFFAOYSA-N 1 0 311.338 0.959 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423976793 416599031 /nfs/dbraw/zinc/59/90/31/416599031.db2.gz SSHGSDTUVOKNMN-NRUUGDAUSA-N 1 0 320.349 0.661 20 5 DCBDRO C[C@]([NH3+])(C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423911514 416588376 /nfs/dbraw/zinc/58/83/76/416588376.db2.gz VOEXRMYSEVORRX-CQSZACIVSA-N 1 0 303.322 0.782 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CCC[N@H+](C[C@H]3CCCO3)CC2)n1 ZINC000610485196 416657283 /nfs/dbraw/zinc/65/72/83/416657283.db2.gz DNPNAVMJCWBRCZ-CQSZACIVSA-N 1 0 323.397 0.978 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000545170994 416665908 /nfs/dbraw/zinc/66/59/08/416665908.db2.gz GBIAZRBORUFTMK-AWEZNQCLSA-N 1 0 323.305 0.120 20 5 DCBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000614712418 416695099 /nfs/dbraw/zinc/69/50/99/416695099.db2.gz AZVXVCGVKQYSGV-VXGBXAGGSA-N 1 0 308.338 0.355 20 5 DCBDRO CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000516276917 416719950 /nfs/dbraw/zinc/71/99/50/416719950.db2.gz QHRGZQLGIUUFMM-QWHCGFSZSA-N 1 0 323.349 0.545 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000556973039 416722253 /nfs/dbraw/zinc/72/22/53/416722253.db2.gz HFJJBQUSPPNODE-STQMWFEESA-N 1 0 309.322 0.107 20 5 DCBDRO CC[N@H+](CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-])C1CC1 ZINC000557590970 416737885 /nfs/dbraw/zinc/73/78/85/416737885.db2.gz QXQUKVRKFDULFM-UHFFFAOYSA-N 1 0 307.354 1.246 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000516925771 416758411 /nfs/dbraw/zinc/75/84/11/416758411.db2.gz DQPUSGRGPUABAK-QWRGUYRKSA-N 1 0 324.385 0.648 20 5 DCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000443514817 416763679 /nfs/dbraw/zinc/76/36/79/416763679.db2.gz ZCJMSJZHWDSNOQ-VIFPVBQESA-N 1 0 313.383 1.051 20 5 DCBDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000518172366 416840371 /nfs/dbraw/zinc/84/03/71/416840371.db2.gz VMTCIEFCGZTSQB-LLVKDONJSA-N 1 0 311.338 0.402 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000428610568 416908953 /nfs/dbraw/zinc/90/89/53/416908953.db2.gz KRMYVYKUDJQIJO-ZACCUICWSA-N 1 0 306.322 0.156 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000565181898 416937290 /nfs/dbraw/zinc/93/72/90/416937290.db2.gz NXZWGRNNLOTLEV-VXGBXAGGSA-N 1 0 319.365 1.388 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[S@](=O)C1 ZINC000521863241 417028525 /nfs/dbraw/zinc/02/85/25/417028525.db2.gz VHDLRKIADWFPHQ-BJFPOWJFSA-N 1 0 314.363 0.445 20 5 DCBDRO CC[N@H+](C)C[C@@H](O)Cn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O ZINC000565904491 417032684 /nfs/dbraw/zinc/03/26/84/417032684.db2.gz PBNLDQFGGKXQTA-GFCCVEGCSA-N 1 0 322.321 0.724 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000521462871 417011957 /nfs/dbraw/zinc/01/19/57/417011957.db2.gz PCSPYSHJEYGTKC-SFYZADRCSA-N 1 0 310.335 0.040 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910055 417039133 /nfs/dbraw/zinc/03/91/33/417039133.db2.gz CLWBSWCWRXRQMA-YPMHNXCESA-N 1 0 309.322 0.323 20 5 DCBDRO C[NH2+][C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430617921 417049824 /nfs/dbraw/zinc/04/98/24/417049824.db2.gz QBAQWJGCOSKQDL-VIFPVBQESA-N 1 0 322.321 0.556 20 5 DCBDRO Cc1ccccc1[C@H]([NH3+])C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000295787841 225236801 /nfs/dbraw/zinc/23/68/01/225236801.db2.gz RXIXSHWZHJFCQM-ZDUSSCGKSA-N 1 0 303.322 0.916 20 5 DCBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000568528987 417147919 /nfs/dbraw/zinc/14/79/19/417147919.db2.gz IPOSTDDBZXCBCC-JTQLQIEISA-N 1 0 307.354 0.986 20 5 DCBDRO Cc1c(NC(=O)NC[C@@H]2C[NH2+]CCN2C)cccc1[N+](=O)[O-] ZINC000414696330 417294198 /nfs/dbraw/zinc/29/41/98/417294198.db2.gz HHBGACLQIKXQBH-NSHDSACASA-N 1 0 307.354 0.928 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000433301482 417251839 /nfs/dbraw/zinc/25/18/39/417251839.db2.gz GGLWYIRUGWRRTH-OLZOCXBDSA-N 1 0 310.354 0.532 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000415308651 417362960 /nfs/dbraw/zinc/36/29/60/417362960.db2.gz ZEWVMYMXRMPMIZ-SNVBAGLBSA-N 1 0 306.322 0.662 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000570201921 417325525 /nfs/dbraw/zinc/32/55/25/417325525.db2.gz NMAIOLABFIVNSE-CMPLNLGQSA-N 1 0 311.338 0.401 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415389860 417377229 /nfs/dbraw/zinc/37/72/29/417377229.db2.gz ZZXJMDCVAPNZFZ-VIFPVBQESA-N 1 0 322.321 0.410 20 5 DCBDRO CC[C@@H](O)C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000439173519 287382662 /nfs/dbraw/zinc/38/26/62/287382662.db2.gz YIKBUQHLKPCEKI-LLVKDONJSA-N 1 0 322.365 0.587 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452787088 417501717 /nfs/dbraw/zinc/50/17/17/417501717.db2.gz YFQTYONIIATPSI-LLVKDONJSA-N 1 0 322.365 0.754 20 5 DCBDRO O=C(C[NH2+]C(CO)CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580446794 417704186 /nfs/dbraw/zinc/70/41/86/417704186.db2.gz XALRSHSVEUSMLA-UHFFFAOYSA-N 1 0 303.702 0.130 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCN1CC[NH+](C)CC1 ZINC000298159930 228389204 /nfs/dbraw/zinc/38/92/04/228389204.db2.gz MMYSHCDIDNNVOZ-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000317343745 261176601 /nfs/dbraw/zinc/17/66/01/261176601.db2.gz GLTVQSGQTBXTAP-ZDUSSCGKSA-N 1 0 308.338 0.311 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363197352 262105428 /nfs/dbraw/zinc/10/54/28/262105428.db2.gz LUBNGCSDHDDSDE-ZIAGYGMSSA-N 1 0 311.382 0.613 20 5 DCBDRO C[C@@H]1C(=O)NCCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411218131 262167091 /nfs/dbraw/zinc/16/70/91/262167091.db2.gz NSYIIMHLJQAVAE-SNVBAGLBSA-N 1 0 306.322 0.744 20 5 DCBDRO COC(=O)[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)n2)CC[N@H+](C)C1 ZINC000413497318 262214208 /nfs/dbraw/zinc/21/42/08/262214208.db2.gz LKGFJKZLINEQPN-NSHDSACASA-N 1 0 308.338 0.839 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000417915408 262265155 /nfs/dbraw/zinc/26/51/55/262265155.db2.gz SUKGHUGCGBIPMZ-GHMZBOCLSA-N 1 0 310.358 0.608 20 5 DCBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCO[C@@H](C[NH3+])C1 ZINC000420393749 262373118 /nfs/dbraw/zinc/37/31/18/262373118.db2.gz QYDAZZDQOHLVMQ-FZMZJTMJSA-N 1 0 322.365 0.971 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423674617 262453933 /nfs/dbraw/zinc/45/39/33/262453933.db2.gz HBOINMHBRVGTFP-NSHDSACASA-N 1 0 322.365 0.899 20 5 DCBDRO COC(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000422726111 271380604 /nfs/dbraw/zinc/38/06/04/271380604.db2.gz DBGZLMUBYJYFOX-NSHDSACASA-N 1 0 307.306 0.863 20 5 DCBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451505824 271900731 /nfs/dbraw/zinc/90/07/31/271900731.db2.gz UUPLAWPUGCBYEX-LPTSXCQYSA-N 1 0 312.370 0.801 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(CO)COC2)n1 ZINC000517215501 272461500 /nfs/dbraw/zinc/46/15/00/272461500.db2.gz PFIYTFXHTOGMGS-NWDGAFQWSA-N 1 0 310.354 0.874 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000261703389 278790816 /nfs/dbraw/zinc/79/08/16/278790816.db2.gz ISSZWAGCEOBQBR-VXNVDRBHSA-N 1 0 303.315 0.702 20 5 DCBDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548621769 288160415 /nfs/dbraw/zinc/16/04/15/288160415.db2.gz BHAOZHBGISJDMB-SNVBAGLBSA-N 1 0 314.367 0.752 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381454296 332657707 /nfs/dbraw/zinc/65/77/07/332657707.db2.gz HQDIBTRPUVHFGG-JGVFFNPUSA-N 1 0 303.340 0.617 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000570444059 332755927 /nfs/dbraw/zinc/75/59/27/332755927.db2.gz LGOXYWDWVMTTTJ-QMMMGPOBSA-N 1 0 323.275 0.886 20 5 DCBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)C1 ZINC000582252543 336394831 /nfs/dbraw/zinc/39/48/31/336394831.db2.gz KIYCYNKNLUBORE-PHIMTYICSA-N 1 0 322.365 0.833 20 5 DCBDRO C[S@](=O)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000393698216 337093557 /nfs/dbraw/zinc/09/35/57/337093557.db2.gz VSRVQHSHBPLNCB-FIKIJFGZSA-N 1 0 316.383 0.043 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577410602 341908761 /nfs/dbraw/zinc/90/87/61/341908761.db2.gz AEDHPJNOCYEGLF-NEPJUHHUSA-N 1 0 319.321 0.371 20 5 DCBDRO CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@@H]1[NH+](C)C ZINC000332655678 534008034 /nfs/dbraw/zinc/00/80/34/534008034.db2.gz DVCGDJDIUQPDBB-VHSXEESVSA-N 1 0 313.383 0.446 20 5 DCBDRO COCC[NH2+]CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000237318409 523938408 /nfs/dbraw/zinc/93/84/08/523938408.db2.gz IDULTQOXQGHPKW-UHFFFAOYSA-N 1 0 300.290 0.282 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190886822 524972085 /nfs/dbraw/zinc/97/20/85/524972085.db2.gz VLBLBKMWCPGFSO-AGIUHOORSA-N 1 0 310.350 0.895 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160160947 525345375 /nfs/dbraw/zinc/34/53/75/525345375.db2.gz NKFXRCLHJLTYMH-MFKMUULPSA-N 1 0 320.349 0.663 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160160742 525345836 /nfs/dbraw/zinc/34/58/36/525345836.db2.gz NKFXRCLHJLTYMH-ZWNOBZJWSA-N 1 0 320.349 0.663 20 5 DCBDRO CC(C)(C)[C@@H](CCO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000181480986 526615401 /nfs/dbraw/zinc/61/54/01/526615401.db2.gz CCLBVMADAZISAR-NWDGAFQWSA-N 1 0 300.359 0.539 20 5 DCBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000237884973 526656944 /nfs/dbraw/zinc/65/69/44/526656944.db2.gz GCAYFCLUTKNXQQ-UHFFFAOYSA-N 1 0 302.294 0.221 20 5 DCBDRO CC(C)(C[NH3+])NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000151880518 527071109 /nfs/dbraw/zinc/07/11/09/527071109.db2.gz CJXYYFHARKSCGB-UHFFFAOYSA-N 1 0 309.322 0.762 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000269163637 527090285 /nfs/dbraw/zinc/09/02/85/527090285.db2.gz CBPFGIQYZSBHMA-CMPLNLGQSA-N 1 0 309.370 0.994 20 5 DCBDRO CCOC[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174789085 528923902 /nfs/dbraw/zinc/92/39/02/528923902.db2.gz CQKGIDSSWNIYGX-OCCSQVGLSA-N 1 0 312.370 0.901 20 5 DCBDRO CC(C)([NH2+]CCNS(C)(=O)=O)c1ccccc1[N+](=O)[O-] ZINC000292111993 535248705 /nfs/dbraw/zinc/24/87/05/535248705.db2.gz JDQCXIXRVPTZLZ-UHFFFAOYSA-N 1 0 301.368 0.969 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736967986 598895727 /nfs/dbraw/zinc/89/57/27/598895727.db2.gz OTFSEVXEYXICOQ-LBPRGKRZSA-N 1 0 307.314 0.551 20 5 DCBDRO CN(C[C@H]1CC[N@H+](C)C1)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821621692 606707895 /nfs/dbraw/zinc/70/78/95/606707895.db2.gz BWAPNSPDVDZNDP-VIFPVBQESA-N 1 0 318.341 0.558 20 5 DCBDRO C[NH+](C)C[C@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821583367 606710405 /nfs/dbraw/zinc/71/04/05/606710405.db2.gz SPRBFGPKBIDABR-SECBINFHSA-N 1 0 318.341 0.558 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1 ZINC000934261992 658247120 /nfs/dbraw/zinc/24/71/20/658247120.db2.gz HCAGSIOGZRNNRJ-KGLIPLIRSA-N 1 0 309.370 0.322 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063590 658815808 /nfs/dbraw/zinc/81/58/08/658815808.db2.gz FKCYGBLSYZRJKG-RBLKWDMZSA-N 1 0 310.379 0.588 20 5 DCBDRO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001022063904 658817587 /nfs/dbraw/zinc/81/75/87/658817587.db2.gz ODHJCROSMFODOJ-JZSSXWJLSA-N 1 0 310.310 0.085 20 5 DCBDRO CC[NH+](CC)CC(=O)N1CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000892331056 658912735 /nfs/dbraw/zinc/91/27/35/658912735.db2.gz QSBJQKHUAZRPLI-UHFFFAOYSA-N 1 0 324.385 0.319 20 5 DCBDRO C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000893046993 659705495 /nfs/dbraw/zinc/70/54/95/659705495.db2.gz IYXCRIVVVCUQEN-QWHCGFSZSA-N 1 0 322.413 0.791 20 5 DCBDRO COc1cc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261693578 661423724 /nfs/dbraw/zinc/42/37/24/661423724.db2.gz JHGLHJLIYZPLPN-LLVKDONJSA-N 1 0 322.365 0.895 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000261768069 661636788 /nfs/dbraw/zinc/63/67/88/661636788.db2.gz OXKBWBQFLKHCGB-JTQLQIEISA-N 1 0 323.353 0.118 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@H](O)C[N@H+]1C ZINC000924975370 661822470 /nfs/dbraw/zinc/82/24/70/661822470.db2.gz DGBGHDVZAVDHGI-ZJUUUORDSA-N 1 0 311.313 0.837 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1C ZINC000924975369 661822597 /nfs/dbraw/zinc/82/25/97/661822597.db2.gz DGBGHDVZAVDHGI-VHSXEESVSA-N 1 0 311.313 0.837 20 5 DCBDRO COc1cc([N+](=O)[O-])cnc1N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000894381466 661945459 /nfs/dbraw/zinc/94/54/59/661945459.db2.gz GTCWOUYLZAURAI-UHFFFAOYSA-N 1 0 323.353 0.209 20 5 DCBDRO Cc1nn(C)c(N2CC[NH+](CCCCCO)CC2)c1[N+](=O)[O-] ZINC000894961822 662036898 /nfs/dbraw/zinc/03/68/98/662036898.db2.gz OSCDCGPBXSKKRG-UHFFFAOYSA-N 1 0 311.386 0.921 20 5 DCBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896563217 662291417 /nfs/dbraw/zinc/29/14/17/662291417.db2.gz KMKMADZPOVVSMR-IUODEOHRSA-N 1 0 320.393 0.888 20 5 DCBDRO C[C@@H]([NH2+]C[C@]1(CO)COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000903285483 663451022 /nfs/dbraw/zinc/45/10/22/663451022.db2.gz KYXYGOGONGZPLX-DOMZBBRYSA-N 1 0 309.366 0.939 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000903875472 663491099 /nfs/dbraw/zinc/49/10/99/663491099.db2.gz GPZUSDKCUDQSDQ-AWEZNQCLSA-N 1 0 322.365 0.478 20 5 DCBDRO COc1ccc(N2CCN(CC[NH2+]CC[N+](=O)[O-])CC2)cc1 ZINC000905070245 663530389 /nfs/dbraw/zinc/53/03/89/663530389.db2.gz IIMWHEBCQXLAMP-UHFFFAOYSA-N 1 0 308.382 0.684 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000911694379 664100906 /nfs/dbraw/zinc/10/09/06/664100906.db2.gz WCQQUDDOWWSSAC-CABCVRRESA-N 1 0 318.377 0.720 20 5 DCBDRO CC(C)(C(=O)N1CC[C@H]([NH+]2CCC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000912916841 664245165 /nfs/dbraw/zinc/24/51/65/664245165.db2.gz AQTQVLXWMROXNU-NSHDSACASA-N 1 0 307.354 0.833 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913288903 664298482 /nfs/dbraw/zinc/29/84/82/664298482.db2.gz IADRWQISGPNAJK-GASCZTMLSA-N 1 0 321.381 0.900 20 5 DCBDRO C[NH+]1C[C@@]2(C)CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000913288845 664298589 /nfs/dbraw/zinc/29/85/89/664298589.db2.gz HEVNSTZBVGNKTB-GJZGRUSLSA-N 1 0 321.381 0.982 20 5 DCBDRO Cc1ccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000913754354 664719508 /nfs/dbraw/zinc/71/95/08/664719508.db2.gz MXHRRZDSXMHFKX-DOMZBBRYSA-N 1 0 307.350 0.975 20 5 DCBDRO Cc1ncc(C[NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000917094937 665115518 /nfs/dbraw/zinc/11/55/18/665115518.db2.gz OPRLNTDODIVYBV-LSDHHAIUSA-N 1 0 318.333 0.877 20 5 DCBDRO Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997771401 665336220 /nfs/dbraw/zinc/33/62/20/665336220.db2.gz HDVAJPOOMCIVFR-CHWSQXEVSA-N 1 0 322.365 0.976 20 5 DCBDRO O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002787977 666221965 /nfs/dbraw/zinc/22/19/65/666221965.db2.gz KZHHSGDAHFSELT-ZIAGYGMSSA-N 1 0 311.382 0.659 20 5 DCBDRO CN1CCOC[C@]1(CO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922536161 666477779 /nfs/dbraw/zinc/47/77/79/666477779.db2.gz QSMMQFCCXBEFHF-GFCCVEGCSA-N 1 0 301.368 0.439 20 5 DCBDRO CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429724 666791100 /nfs/dbraw/zinc/79/11/00/666791100.db2.gz UVZWSYWEISQJED-CHWSQXEVSA-N 1 0 321.381 0.649 20 5 DCBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc([N+](=O)[O-])c1F ZINC000866789427 667398998 /nfs/dbraw/zinc/39/89/98/667398998.db2.gz INIGDNKIOZAQGS-IUCAKERBSA-N 1 0 315.326 0.777 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1(C)C ZINC000871155205 667798539 /nfs/dbraw/zinc/79/85/39/667798539.db2.gz QWISMZGFRKENFR-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000756817972 668101395 /nfs/dbraw/zinc/10/13/95/668101395.db2.gz JEYHYOJVSXJSNA-WDEREUQCSA-N 1 0 323.353 0.404 20 5 DCBDRO O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839722008 668136137 /nfs/dbraw/zinc/13/61/37/668136137.db2.gz STZJKMCCXGGUPF-RRFJBIMHSA-N 1 0 319.361 0.535 20 5 DCBDRO C[NH+](C)C[C@H](N)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000876874533 668525530 /nfs/dbraw/zinc/52/55/30/668525530.db2.gz GRKVYQGQXZFZER-ZDUSSCGKSA-N 1 0 306.366 0.975 20 5 DCBDRO Cc1nn(CN2CC[NH+](C3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000779865472 668945878 /nfs/dbraw/zinc/94/58/78/668945878.db2.gz PCIJZXZZQQDUNF-UHFFFAOYSA-N 1 0 309.370 0.854 20 5 DCBDRO C[C@](CO)(NC[C@@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000879273066 669007571 /nfs/dbraw/zinc/00/75/71/669007571.db2.gz GXTANQQFLKAAIT-HZPDHXFCSA-N 1 0 323.393 0.849 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2N)C1 ZINC000791255701 669599827 /nfs/dbraw/zinc/59/98/27/669599827.db2.gz VBHBNJAWOGCPJC-HNNXBMFYSA-N 1 0 322.365 0.706 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000716729203 670272142 /nfs/dbraw/zinc/27/21/42/670272142.db2.gz CMPPNCHFGWILPZ-QMMMGPOBSA-N 1 0 301.730 0.901 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000812341983 670577224 /nfs/dbraw/zinc/57/72/24/670577224.db2.gz IITOGGBPNRRPDW-KOLCDFICSA-N 1 0 306.322 0.719 20 5 DCBDRO C[NH+](C)CCONC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000854947106 670660434 /nfs/dbraw/zinc/66/04/34/670660434.db2.gz GKHABGWNSRVGKP-UHFFFAOYSA-N 1 0 320.309 0.399 20 5 DCBDRO Cc1cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c(N)c([N+](=O)[O-])c1 ZINC000848306764 670666869 /nfs/dbraw/zinc/66/68/69/670666869.db2.gz YZAUFVNSSAMYFE-WDEREUQCSA-N 1 0 320.349 0.376 20 5 DCBDRO Cc1cc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c(N)c([N+](=O)[O-])c1 ZINC000816625644 670829667 /nfs/dbraw/zinc/82/96/67/670829667.db2.gz KCMGWDPNRLYAHU-NSHDSACASA-N 1 0 322.365 0.672 20 5 DCBDRO CNC(=O)[C@@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000817371199 670916401 /nfs/dbraw/zinc/91/64/01/670916401.db2.gz ZGOTULXQIUDRIG-SNVBAGLBSA-N 1 0 303.322 0.970 20 5 DCBDRO [NH3+][C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[C@H]1F ZINC000850593438 670921573 /nfs/dbraw/zinc/92/15/73/670921573.db2.gz QVNHCODHSJZVCE-VXNVDRBHSA-N 1 0 321.305 0.794 20 5 DCBDRO Nc1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc(N)[nH+]1 ZINC000858312459 670991826 /nfs/dbraw/zinc/99/18/26/670991826.db2.gz ZZRKBKWFJCLYFO-UHFFFAOYSA-N 1 0 316.325 0.271 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC000858639712 671025475 /nfs/dbraw/zinc/02/54/75/671025475.db2.gz BVTQZKOOINBFPF-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819066183 671091310 /nfs/dbraw/zinc/09/13/10/671091310.db2.gz ZNMRGMGGIINZKE-BXKDBHETSA-N 1 0 302.352 0.651 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC000853244857 671223843 /nfs/dbraw/zinc/22/38/43/671223843.db2.gz QFMIWSVUJWFFRZ-UHFFFAOYSA-N 1 0 322.277 0.317 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000822454721 671324465 /nfs/dbraw/zinc/32/44/65/671324465.db2.gz VFFFSPNFRZXPSO-LBPRGKRZSA-N 1 0 309.370 0.948 20 5 DCBDRO CC(C)c1[nH]nc(-c2nc(N3CC[NH2+]CC3)no2)c1[N+](=O)[O-] ZINC000823334826 671387960 /nfs/dbraw/zinc/38/79/60/671387960.db2.gz MULPKSBTLVLYJN-UHFFFAOYSA-N 1 0 307.314 0.901 20 5 DCBDRO Nc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1[N+](=O)[O-] ZINC000833566374 671748639 /nfs/dbraw/zinc/74/86/39/671748639.db2.gz VUNIUUKBDYFQFS-GFCCVEGCSA-N 1 0 322.365 0.754 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834437869 671760193 /nfs/dbraw/zinc/76/01/93/671760193.db2.gz TVFNVQQSXVQYBB-UHFFFAOYSA-N 1 0 306.322 0.911 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841202347 671919607 /nfs/dbraw/zinc/91/96/07/671919607.db2.gz DZIXWILNFOUWAR-UHFFFAOYSA-N 1 0 314.729 0.865 20 5 DCBDRO Cc1cc(S(=O)(=O)NC[C@H](C)C[NH3+])cc([N+](=O)[O-])c1F ZINC000842788153 672037317 /nfs/dbraw/zinc/03/73/17/672037317.db2.gz YPJKQCOBSPVVIB-SSDOTTSWSA-N 1 0 305.331 0.915 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CNC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000843061239 672057722 /nfs/dbraw/zinc/05/77/22/672057722.db2.gz CUYZPWGXJOQZBR-HUUCEWRRSA-N 1 0 309.366 0.675 20 5 DCBDRO Cn1cc(C[C@@H](CO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843115077 672063629 /nfs/dbraw/zinc/06/36/29/672063629.db2.gz KDNBSRRBEZLROQ-DZGCQCFKSA-N 1 0 320.349 0.555 20 5 DCBDRO O=C(CO[C@@H]1CCC[NH2+]C1)NCCNc1ccccc1[N+](=O)[O-] ZINC000843370198 672088184 /nfs/dbraw/zinc/08/81/84/672088184.db2.gz IDALVOJVYJIGBH-GFCCVEGCSA-N 1 0 322.365 0.892 20 5 DCBDRO CC[N@H+](CCNC(=O)c1cn[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001691029385 1157445812 /nfs/dbraw/zinc/44/58/12/1157445812.db2.gz IZXGROAWVZVYAM-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO CCn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n1 ZINC001570103832 1161422212 /nfs/dbraw/zinc/42/22/12/1161422212.db2.gz JSDAJRGJINHJRF-CHWSQXEVSA-N 1 0 321.381 0.697 20 5 DCBDRO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](CC)C[NH2+]1 ZINC001573717732 1163539960 /nfs/dbraw/zinc/53/99/60/1163539960.db2.gz HJJCARCQHJUSFE-VXGBXAGGSA-N 1 0 322.365 0.746 20 5 DCBDRO COC(=O)COc1ccc(CN[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC001573922574 1163588299 /nfs/dbraw/zinc/58/82/99/1163588299.db2.gz YDOUVQQBLVFPNW-OAHLLOKOSA-N 1 0 323.349 0.988 20 5 DCBDRO C[C@]1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@@H](O)C[NH2+]1 ZINC001576330457 1164301810 /nfs/dbraw/zinc/30/18/10/1164301810.db2.gz PFPUQIZDWVPDNX-IAQYHMDHSA-N 1 0 321.333 0.297 20 5 DCBDRO CC1(C)CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC001576450043 1164349678 /nfs/dbraw/zinc/34/96/78/1164349678.db2.gz CGYXTROZZXCRQC-LBPRGKRZSA-N 1 0 320.349 0.520 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001577887021 1164824685 /nfs/dbraw/zinc/82/46/85/1164824685.db2.gz AEBOLHMYFAOLNW-SNVBAGLBSA-N 1 0 318.337 0.903 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC001578746997 1165094493 /nfs/dbraw/zinc/09/44/93/1165094493.db2.gz ZYANZMVTZZTLNV-IUCAKERBSA-N 1 0 312.351 0.053 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC001579381008 1165290882 /nfs/dbraw/zinc/29/08/82/1165290882.db2.gz IKUFDRBFKQVSDN-SCZZXKLOSA-N 1 0 316.325 0.310 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)n1 ZINC001579969395 1165453856 /nfs/dbraw/zinc/45/38/56/1165453856.db2.gz HYSONXINSFQCGN-JTQLQIEISA-N 1 0 301.306 0.859 20 5 DCBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001580691597 1165688763 /nfs/dbraw/zinc/68/87/63/1165688763.db2.gz KJFFYWCOZVEXRY-ITGUQSILSA-N 1 0 305.338 0.524 20 5 DCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1C[N@H+](C)CCN1C ZINC001586538797 1166495180 /nfs/dbraw/zinc/49/51/80/1166495180.db2.gz QHPSFCQKUSJSPJ-YGRLFVJLSA-N 1 0 321.381 0.541 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCCC[NH+]2CCC(O)CC2)n1 ZINC001586795203 1166497861 /nfs/dbraw/zinc/49/78/61/1166497861.db2.gz JMNOKXQMBJWSRW-UHFFFAOYSA-N 1 0 322.365 0.875 20 5 DCBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590213808 1166815347 /nfs/dbraw/zinc/81/53/47/1166815347.db2.gz KMDHRXVATAPRTL-LDYMZIIASA-N 1 0 304.310 0.730 20 5 DCBDRO C[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])[C@H]1CO ZINC001590272172 1166834603 /nfs/dbraw/zinc/83/46/03/1166834603.db2.gz MJRSJVSETGTNKH-ZANVPECISA-N 1 0 318.337 0.978 20 5 DCBDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590322964 1166864792 /nfs/dbraw/zinc/86/47/92/1166864792.db2.gz DWOWTPXQZHAPJO-LDYMZIIASA-N 1 0 304.310 0.899 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@H]21 ZINC001591025429 1167084127 /nfs/dbraw/zinc/08/41/27/1167084127.db2.gz UCAPFLJCVXJHLZ-MYJAWHEDSA-N 1 0 316.325 0.166 20 5 DCBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CC=CC2)c(-c2nn[nH]n2)c1 ZINC001593484569 1167866482 /nfs/dbraw/zinc/86/64/82/1167866482.db2.gz GCCKMHIOEGZCAX-UHFFFAOYSA-N 1 0 302.298 0.454 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC001593482705 1167869593 /nfs/dbraw/zinc/86/95/93/1167869593.db2.gz QHGJBRMCLFUMPX-AMIZOPFISA-N 1 0 302.294 0.342 20 5 DCBDRO COc1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001596969932 1167999328 /nfs/dbraw/zinc/99/93/28/1167999328.db2.gz BPFZBJNYKUZRFP-NHYWBVRUSA-N 1 0 323.349 0.675 20 5 DCBDRO CC(C)(C(=O)N[C@@]12CC[N@H+](C1)CCC2)n1cc([N+](=O)[O-])cn1 ZINC001597367239 1168007253 /nfs/dbraw/zinc/00/72/53/1168007253.db2.gz TVWDNOSOEFELPN-AWEZNQCLSA-N 1 0 307.354 0.881 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001626175165 1169595119 /nfs/dbraw/zinc/59/51/19/1169595119.db2.gz RPDOYKXKXLDEGB-RYUDHWBXSA-N 1 0 320.349 0.770 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001604856506 1169714837 /nfs/dbraw/zinc/71/48/37/1169714837.db2.gz ZEXXWQGGRXWOIE-ZDUSSCGKSA-N 1 0 319.325 0.253 20 5 DCBDRO C[N@H+]1C[C@H]2CN(c3nccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@H]2C1 ZINC001604872817 1169722167 /nfs/dbraw/zinc/72/21/67/1169722167.db2.gz YSFNDRZUQQVKDE-DTORHVGOSA-N 1 0 316.325 0.168 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001618679714 1171400611 /nfs/dbraw/zinc/40/06/11/1171400611.db2.gz ODYLKMDTTUTPMT-CYBMUJFWSA-N 1 0 323.349 0.201 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC001623488860 1171438422 /nfs/dbraw/zinc/43/84/22/1171438422.db2.gz PRYCBVUWNVXOJM-WDEREUQCSA-N 1 0 323.353 0.092 20 5 DCBDRO C[N@H+](CCCO)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC001624290810 1171452794 /nfs/dbraw/zinc/45/27/94/1171452794.db2.gz LGNKSZKMJSTGHW-UHFFFAOYSA-N 1 0 311.342 0.237 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001636885130 1171751592 /nfs/dbraw/zinc/75/15/92/1171751592.db2.gz ULHXNGZXAFGDEB-NWDGAFQWSA-N 1 0 308.338 0.594 20 5 DCBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@H]1C[N@H+](C)CCN1C ZINC001641305698 1171911938 /nfs/dbraw/zinc/91/19/38/1171911938.db2.gz CXTWCVUQILZNFD-JOYOIKCWSA-N 1 0 323.353 0.060 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC001642078519 1171936197 /nfs/dbraw/zinc/93/61/97/1171936197.db2.gz WNTWLIQGCBOWNQ-UHFFFAOYSA-N 1 0 309.370 0.877 20 5 DCBDRO Cc1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001642136624 1171937884 /nfs/dbraw/zinc/93/78/84/1171937884.db2.gz CXKIOYMXRJKDJW-GFCCVEGCSA-N 1 0 307.354 0.852 20 5 DCBDRO COC1(OC)CCOC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC001644360571 1172006175 /nfs/dbraw/zinc/00/61/75/1172006175.db2.gz XQGTZRQIEJTXTE-SNVBAGLBSA-N 1 0 300.315 0.159 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001648402128 1173074152 /nfs/dbraw/zinc/07/41/52/1173074152.db2.gz IVTSRODAEKZLFQ-WDEREUQCSA-N 1 0 309.322 0.859 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC001651342831 1173747174 /nfs/dbraw/zinc/74/71/74/1173747174.db2.gz NSEZCNIUULROQU-AWEZNQCLSA-N 1 0 324.337 0.279 20 5 DCBDRO CCO[C@H](CNc1ncc([N+](=O)[O-])cc1C(N)=O)C[NH+](C)C ZINC001652210005 1173764895 /nfs/dbraw/zinc/76/48/95/1173764895.db2.gz ZHGKLGZDTFBFOZ-SNVBAGLBSA-N 1 0 311.342 0.467 20 5 DCBDRO CC[N@@H+]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])nc2C)C(C)(C)C1 ZINC001652602595 1173772738 /nfs/dbraw/zinc/77/27/38/1173772738.db2.gz FMSPVRAYBLGIAR-LLVKDONJSA-N 1 0 309.370 0.946 20 5 DCBDRO COc1cc(C[NH2+]C[C@@H](O)c2cnn(C)c2)c([N+](=O)[O-])cc1O ZINC001655729057 1173826156 /nfs/dbraw/zinc/82/61/56/1173826156.db2.gz YLYHFBMTSNZPDE-CYBMUJFWSA-N 1 0 322.321 0.866 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3cc(O)ccc3C2)c1 ZINC001655922857 1173830385 /nfs/dbraw/zinc/83/03/85/1173830385.db2.gz WDVAKWPSZNVDJT-OAHLLOKOSA-N 1 0 318.333 0.916 20 5 DCBDRO O=C1OCC[C@]12CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001655919704 1173830622 /nfs/dbraw/zinc/83/06/22/1173830622.db2.gz WRLBMNNCEGIZMS-AWEZNQCLSA-N 1 0 307.306 0.396 20 5 DCBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001656540356 1173867257 /nfs/dbraw/zinc/86/72/57/1173867257.db2.gz IMRVCUDHIPZQMG-STQMWFEESA-N 1 0 310.350 0.896 20 5 DCBDRO O=C1C[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1 ZINC001658865017 1173925841 /nfs/dbraw/zinc/92/58/41/1173925841.db2.gz HLIBOTOVQFTSAA-UXIGCNINSA-N 1 0 323.349 0.247 20 5 DCBDRO O=C(C(F)F)N(CCO)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001672571097 1175126744 /nfs/dbraw/zinc/12/67/44/1175126744.db2.gz BVMOQGXHXDYKNL-UHFFFAOYSA-N 1 0 317.292 0.770 20 5 DCBDRO CN(CCC[N@H+](C)CCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001673434677 1175202023 /nfs/dbraw/zinc/20/20/23/1175202023.db2.gz ROZLDEFYYXDGCY-CHWSQXEVSA-N 1 0 309.370 0.329 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1cn(C)nn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001674832377 1175300548 /nfs/dbraw/zinc/30/05/48/1175300548.db2.gz QXACYAKDTPFRNB-VXGBXAGGSA-N 1 0 324.385 0.055 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001675047065 1175322089 /nfs/dbraw/zinc/32/20/89/1175322089.db2.gz ZDXSSGBOGAHXSR-VIFPVBQESA-N 1 0 307.310 0.519 20 5 DCBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncc(F)c1 ZINC001712946338 1180577657 /nfs/dbraw/zinc/57/76/57/1180577657.db2.gz WAYTXPSJYBOCTB-CHWSQXEVSA-N 1 0 310.329 0.824 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCc1cnn(C)c1 ZINC001713484522 1180863305 /nfs/dbraw/zinc/86/33/05/1180863305.db2.gz KVKDCUHETWBHIC-CHWSQXEVSA-N 1 0 309.370 0.066 20 5 DCBDRO CC(=O)NCC(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001713568758 1180926396 /nfs/dbraw/zinc/92/63/96/1180926396.db2.gz USUKNHNQYODRBF-UHFFFAOYSA-N 1 0 314.367 0.340 20 5 DCBDRO Cn1ccnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001714493119 1181391652 /nfs/dbraw/zinc/39/16/52/1181391652.db2.gz HXJRVVFBRUNHIK-VXGBXAGGSA-N 1 0 321.381 0.604 20 5 DCBDRO O=C(NCC1([NH2+]CCCF)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716904806 1182562107 /nfs/dbraw/zinc/56/21/07/1182562107.db2.gz RVENBVNUVQZLOV-GHMZBOCLSA-N 1 0 303.334 0.266 20 5 DCBDRO Cc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC001723019481 1184249620 /nfs/dbraw/zinc/24/96/20/1184249620.db2.gz CHJBRGBVMGCTJB-CHWSQXEVSA-N 1 0 307.354 0.388 20 5 DCBDRO CC1(NC(=O)C(N)=O)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001724015148 1184369023 /nfs/dbraw/zinc/36/90/23/1184369023.db2.gz VVJVCAKRWMRBIN-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO Cc1nnc(C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC001725139991 1184693418 /nfs/dbraw/zinc/69/34/18/1184693418.db2.gz NFKUHNXAAZBNTA-GHMZBOCLSA-N 1 0 324.385 0.353 20 5 DCBDRO Cc1noc(C)c1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001751974946 1188369340 /nfs/dbraw/zinc/36/93/40/1188369340.db2.gz NNLIUYVEAYUYMI-DGCLKSJQSA-N 1 0 310.354 0.895 20 5 DCBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)Cc1nnc[nH]1 ZINC001753250462 1188548537 /nfs/dbraw/zinc/54/85/37/1188548537.db2.gz IGMXYXKBRMORQB-UHFFFAOYSA-N 1 0 324.366 0.565 20 5 DCBDRO C[NH+](C)CCC(=O)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001753385688 1188579020 /nfs/dbraw/zinc/57/90/20/1188579020.db2.gz BQFCOEKPLBXUDC-UHFFFAOYSA-N 1 0 306.366 0.847 20 5 DCBDRO NC(=O)CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001754979556 1188985975 /nfs/dbraw/zinc/98/59/75/1188985975.db2.gz UVUYVXMTZCQCAQ-UHFFFAOYSA-N 1 0 320.349 0.599 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164399311 718833090 /nfs/dbraw/zinc/83/30/90/718833090.db2.gz SMYAOJHYICMGJJ-GFCCVEGCSA-N 1 0 314.349 0.632 20 5 DCBDRO O=C(Cc1cc[nH]n1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125141323 751820463 /nfs/dbraw/zinc/82/04/63/751820463.db2.gz KUPNOAHPLUEKJI-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO CC(=O)Nc1ccc(-n2c(C)ncc(C[NH3+])c2=N)cc1[N+](=O)[O-] ZINC001167675180 747520311 /nfs/dbraw/zinc/52/03/11/747520311.db2.gz IKVDAISDGNOMPF-UHFFFAOYSA-N 1 0 316.321 0.985 20 5 DCBDRO CNC(=O)CCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126015907 748185623 /nfs/dbraw/zinc/18/56/23/748185623.db2.gz XCBHOBIPOCTPCM-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC(=[NH2+])N2CCN(C)CC2)c1 ZINC001168746573 754083311 /nfs/dbraw/zinc/08/33/11/754083311.db2.gz XJEGZNHZERFCGV-UHFFFAOYSA-N 1 0 321.337 0.975 20 5 DCBDRO CCC(=O)N1C[C@H]2CN(Cc3c([N+](=O)[O-])ncn3C)C[C@H]2C1 ZINC001048630772 754824927 /nfs/dbraw/zinc/82/49/27/754824927.db2.gz QESMBLGRQSWHIU-PHIMTYICSA-N 1 0 307.354 0.629 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000827911358 758894962 /nfs/dbraw/zinc/89/49/62/758894962.db2.gz YRULZQSQMYDNMQ-UHFFFAOYSA-N 1 0 307.354 0.796 20 5 DCBDRO Cc1oncc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363365 760100716 /nfs/dbraw/zinc/10/07/16/760100716.db2.gz QAAOWLDKMXRZFU-OJAKKHQRSA-N 1 0 308.338 0.633 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCOCCOCCOCCO)C1 ZINC001168969876 760533883 /nfs/dbraw/zinc/53/38/83/760533883.db2.gz GEZKZKCPHFUTDY-KBPBESRZSA-N 1 0 320.386 0.064 20 5 DCBDRO Cc1nc(CC[NH3+])nn1-c1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001168991384 760537918 /nfs/dbraw/zinc/53/79/18/760537918.db2.gz JQXWPECQVVEDMD-UHFFFAOYSA-N 1 0 302.294 0.229 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCN(c3ncc(O)cn3)CC2)C1 ZINC001169042119 760557206 /nfs/dbraw/zinc/55/72/06/760557206.db2.gz CYJMDWSZOJESSX-VXGBXAGGSA-N 1 0 307.354 0.750 20 5 DCBDRO COC(=O)Cc1ccc(NCCN(C)CC[NH3+])cc1[N+](=O)[O-] ZINC001170502687 763384244 /nfs/dbraw/zinc/38/42/44/763384244.db2.gz JCIWBKQELDXISJ-UHFFFAOYSA-N 1 0 310.354 0.613 20 5 DCBDRO O=C(Cc1nc[nH]n1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001170717430 765296771 /nfs/dbraw/zinc/29/67/71/765296771.db2.gz PFORBGRTXITLJV-UHFFFAOYSA-N 1 0 318.337 0.552 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001118037458 766203182 /nfs/dbraw/zinc/20/31/82/766203182.db2.gz CPZAPUXTNAHYOK-ZJUUUORDSA-N 1 0 308.338 0.544 20 5 DCBDRO [NH3+]C1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 ZINC001118139597 766232964 /nfs/dbraw/zinc/23/29/64/766232964.db2.gz OQROSRWXVITKLI-UHFFFAOYSA-N 1 0 316.321 0.739 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118195120 766252711 /nfs/dbraw/zinc/25/27/11/766252711.db2.gz GNTSVMCYVNRMGN-QWRGUYRKSA-N 1 0 308.338 0.485 20 5 DCBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@@H]2C[NH2+]CCO2)cc1F ZINC001580875581 1165748891 /nfs/dbraw/zinc/74/88/91/1165748891.db2.gz NRQTXEIXXHLIMZ-VIFPVBQESA-N 1 0 320.298 0.431 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001119682588 766773672 /nfs/dbraw/zinc/77/36/72/766773672.db2.gz OELINQOMALFHMU-NWDGAFQWSA-N 1 0 320.349 0.452 20 5 DCBDRO CCOCC[NH2+]C1CC2(CC(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001121087615 767397115 /nfs/dbraw/zinc/39/71/15/767397115.db2.gz PYDWHFQMNJQHED-UBDGZGRMSA-N 1 0 311.382 0.705 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001122411485 767795558 /nfs/dbraw/zinc/79/55/58/767795558.db2.gz KXWHZLHVYMHIJU-AWEZNQCLSA-N 1 0 306.322 0.111 20 5 DCBDRO C[NH+](C)CCOCC(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001093750366 768711733 /nfs/dbraw/zinc/71/17/33/768711733.db2.gz XOQOXZCDKURKOU-UHFFFAOYSA-N 1 0 310.354 0.701 20 5 DCBDRO CC(=O)N(C)CC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001154819698 770305394 /nfs/dbraw/zinc/30/53/94/770305394.db2.gz PGMNRTRTANDETK-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001155151695 770414179 /nfs/dbraw/zinc/41/41/79/770414179.db2.gz FYHPLXBDOXKVHJ-LLVKDONJSA-N 1 0 309.326 0.410 20 5 DCBDRO [NH3+]CC1CN([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3F)C2)C1 ZINC001155371621 770479513 /nfs/dbraw/zinc/47/95/13/770479513.db2.gz CBHPOLBGHINVQH-NSHDSACASA-N 1 0 309.345 0.988 20 5 DCBDRO COc1nc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155373442 770481656 /nfs/dbraw/zinc/48/16/56/770481656.db2.gz QNXYDJFTAZJGNT-LBPRGKRZSA-N 1 0 321.381 0.858 20 5 DCBDRO Nc1nc(NCc2nnc3n2CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155430256 770499991 /nfs/dbraw/zinc/49/99/91/770499991.db2.gz KARISRQPBOZRPU-UHFFFAOYSA-N 1 0 304.314 0.269 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001155484566 770520310 /nfs/dbraw/zinc/52/03/10/770520310.db2.gz LXZVMCONIVJESG-KBVBSXBZSA-N 1 0 322.321 0.423 20 5 DCBDRO CC(C)OC(=O)[C@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001155675405 770587605 /nfs/dbraw/zinc/58/76/05/770587605.db2.gz BCZYDJZPPUHCFP-QMMMGPOBSA-N 1 0 309.326 0.824 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1c(C)ncc(C[NH3+])c1=N ZINC001156826278 770936477 /nfs/dbraw/zinc/93/64/77/770936477.db2.gz YOGHLWBOOZJVIJ-UHFFFAOYSA-N 1 0 318.293 0.209 20 5 DCBDRO CCOc1nc(-n2c(C)ncc(C[NH3+])c2=N)ccc1[N+](=O)[O-] ZINC001156830633 770937375 /nfs/dbraw/zinc/93/73/75/770937375.db2.gz QBAGIVUUWTYIAI-UHFFFAOYSA-N 1 0 304.310 0.821 20 5 DCBDRO NC(=O)C(=O)NCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001179441187 771006249 /nfs/dbraw/zinc/00/62/49/771006249.db2.gz OLQSRJMOZZKSLR-UHFFFAOYSA-N 1 0 322.365 0.846 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccn[nH]1 ZINC001180317998 771095338 /nfs/dbraw/zinc/09/53/38/771095338.db2.gz ULLYYOVBHFIJFK-UHFFFAOYSA-N 1 0 307.285 0.977 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001157003439 771516422 /nfs/dbraw/zinc/51/64/22/771516422.db2.gz DGVJRUNKLMMOEU-JTQLQIEISA-N 1 0 315.757 0.829 20 5 DCBDRO CO[C@@H]1COCC[C@H]1Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001157412645 771604157 /nfs/dbraw/zinc/60/41/57/771604157.db2.gz JAEMYOMMALYQSC-MWLCHTKSSA-N 1 0 309.326 0.287 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(N2CCO[C@@H](C[NH+]3CCCC3)C2)c1 ZINC001158306288 771756497 /nfs/dbraw/zinc/75/64/97/771756497.db2.gz WEOJIXNNJVEWNG-ZDUSSCGKSA-N 1 0 308.338 0.529 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001158310309 771757348 /nfs/dbraw/zinc/75/73/48/771757348.db2.gz ZABUVEXQVXOEEN-ZDUSSCGKSA-N 1 0 322.365 0.838 20 5 DCBDRO C[NH+](C)C1(CS(=O)(=O)Oc2cccnc2[N+](=O)[O-])CC1 ZINC001184568736 771799606 /nfs/dbraw/zinc/79/96/06/771799606.db2.gz HRFSMLXXVCURIO-UHFFFAOYSA-N 1 0 301.324 0.793 20 5 DCBDRO O=C(Cn1nccn1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001158921078 771834979 /nfs/dbraw/zinc/83/49/79/771834979.db2.gz CXJBVEIPQBECEG-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO O=[N+]([O-])c1c(N2C3CCC2CC3)ncnc1N1CC[NH2+]CC1 ZINC001159078026 771857465 /nfs/dbraw/zinc/85/74/65/771857465.db2.gz OOJZOYXWGCKXDP-UHFFFAOYSA-N 1 0 304.354 0.926 20 5 DCBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc([N+](=O)[O-])cc[n+]2[O-])O1 ZINC001159237502 771880714 /nfs/dbraw/zinc/88/07/14/771880714.db2.gz CEWPMKVWPYYRTM-NQBHXWOUSA-N 1 0 312.326 0.365 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NCCOCCOCC[NH3+])n1 ZINC001159444991 771911410 /nfs/dbraw/zinc/91/14/10/771911410.db2.gz CJRYCFYNAXZLEM-UHFFFAOYSA-N 1 0 315.330 0.106 20 5 DCBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1ncnc(OC)c1[N+](=O)[O-] ZINC001159452126 771912674 /nfs/dbraw/zinc/91/26/74/771912674.db2.gz BEVUKGOVAVBUJK-UHFFFAOYSA-N 1 0 323.309 0.616 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001159488623 771917894 /nfs/dbraw/zinc/91/78/94/771917894.db2.gz FFPQCWBXBSCGLF-GZMMTYOYSA-N 1 0 310.310 0.565 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001159861327 771969824 /nfs/dbraw/zinc/96/98/24/771969824.db2.gz RBUJIYHEGNMVGL-UHFFFAOYSA-N 1 0 317.733 0.675 20 5 DCBDRO Nc1nc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001161469885 772228959 /nfs/dbraw/zinc/22/89/59/772228959.db2.gz KGNVYUVESFRRHW-LLVKDONJSA-N 1 0 306.370 0.810 20 5 DCBDRO C[C@@H]1C[C@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCO1 ZINC001161692825 772267183 /nfs/dbraw/zinc/26/71/83/772267183.db2.gz YQHHCYBDUFOZDO-GHMZBOCLSA-N 1 0 322.369 0.774 20 5 DCBDRO COc1ccnc(NCc2nnn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001162973667 772438112 /nfs/dbraw/zinc/43/81/12/772438112.db2.gz WXTZQQWAPWDJOD-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO O=[N+]([O-])c1cc(NCc2nnn3c2C[NH2+]CCC3)cnc1F ZINC001162978276 772438951 /nfs/dbraw/zinc/43/89/51/772438951.db2.gz WUZGCWZFQMYEGZ-UHFFFAOYSA-N 1 0 307.289 0.826 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163141315 772470830 /nfs/dbraw/zinc/47/08/30/772470830.db2.gz GLXRDEFVFILHDN-OPRDCNLKSA-N 1 0 322.321 0.484 20 5 DCBDRO CCOc1cnc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163239923 772488065 /nfs/dbraw/zinc/48/80/65/772488065.db2.gz WFRGZFDLTLQUFD-ZWNOBZJWSA-N 1 0 307.310 0.379 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001163284143 772498551 /nfs/dbraw/zinc/49/85/51/772498551.db2.gz KPHWRZFNWARQFQ-FZMZJTMJSA-N 1 0 308.338 0.799 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163284145 772499206 /nfs/dbraw/zinc/49/92/06/772499206.db2.gz KPHWRZFNWARQFQ-SMDDNHRTSA-N 1 0 308.338 0.799 20 5 DCBDRO C[C@H]1C[C@@H](CO)N(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001164150377 772617176 /nfs/dbraw/zinc/61/71/76/772617176.db2.gz HGFVNFAGMUKLIX-QWRGUYRKSA-N 1 0 322.369 0.002 20 5 DCBDRO CN(c1nc2c(cc1[N+](=O)[O-])CCCC2)S(=O)(=O)CC[NH3+] ZINC001164292445 772638240 /nfs/dbraw/zinc/63/82/40/772638240.db2.gz LZNLPJYCYJTWCU-UHFFFAOYSA-N 1 0 314.367 0.593 20 5 DCBDRO Nc1nc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC001164303004 772642431 /nfs/dbraw/zinc/64/24/31/772642431.db2.gz NCBNISDBLYUZIE-NXEZZACHSA-N 1 0 308.342 0.002 20 5 DCBDRO COc1nc(N2C[C@@H](C[NH3+])CC[C@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001164463285 772663685 /nfs/dbraw/zinc/66/36/85/772663685.db2.gz ZCXOBAZGTDQDIY-RKDXNWHRSA-N 1 0 311.342 0.966 20 5 DCBDRO [NH3+][C@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]1O ZINC001165151688 772701712 /nfs/dbraw/zinc/70/17/12/772701712.db2.gz XDYFXIKOLZCAPG-JGVFFNPUSA-N 1 0 308.672 0.696 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c([N+](=O)[O-])c1 ZINC001165269601 772713624 /nfs/dbraw/zinc/71/36/24/772713624.db2.gz OUFVWNOKAYMCNR-JQWIXIFHSA-N 1 0 322.321 0.344 20 5 DCBDRO Nc1nc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)ccc1[N+](=O)[O-] ZINC001165340348 772724761 /nfs/dbraw/zinc/72/47/61/772724761.db2.gz BDZROVSBAVTNAA-AWEZNQCLSA-N 1 0 323.353 0.157 20 5 DCBDRO Cc1nc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165347145 772726726 /nfs/dbraw/zinc/72/67/26/772726726.db2.gz YGKPSVDQHODSIH-CQSZACIVSA-N 1 0 323.353 0.279 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001165443537 772739448 /nfs/dbraw/zinc/73/94/48/772739448.db2.gz XTUQXBIXMDVFLF-NSHDSACASA-N 1 0 317.305 0.489 20 5 DCBDRO O=[N+]([O-])c1c(N2C[C@@H]3C[C@H]2C[C@H]3F)ncnc1N1CC[NH2+]CC1 ZINC001166532666 772818120 /nfs/dbraw/zinc/81/81/20/772818120.db2.gz ZDXITYDUCODHBP-GARJFASQSA-N 1 0 322.344 0.731 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCC3(C2)OCCO3)nc1C1C[NH2+]C1 ZINC001166591028 772827652 /nfs/dbraw/zinc/82/76/52/772827652.db2.gz ZWNZBMUERCKKNY-UHFFFAOYSA-N 1 0 307.310 0.025 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001166966325 772891359 /nfs/dbraw/zinc/89/13/59/772891359.db2.gz FGSGTVDPKWXBAV-APPZFPTMSA-N 1 0 305.294 0.550 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001166967682 772891788 /nfs/dbraw/zinc/89/17/88/772891788.db2.gz NYEKXKSGEGUDCX-XCBNKYQSSA-N 1 0 305.294 0.550 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001196095091 773539007 /nfs/dbraw/zinc/53/90/07/773539007.db2.gz UOMLBBURGDXTPA-TVYUQYBPSA-N 1 0 320.349 0.483 20 5 DCBDRO NC(=O)[C@H](C1CC1)[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC1 ZINC001197087516 773688314 /nfs/dbraw/zinc/68/83/14/773688314.db2.gz XHLFXIAAMCVSKL-ZDUSSCGKSA-N 1 0 307.354 0.767 20 5 DCBDRO Cn1nccc1C1(O)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001197451376 773755442 /nfs/dbraw/zinc/75/54/42/773755442.db2.gz VNHFPASKGOSBQP-UHFFFAOYSA-N 1 0 320.353 0.508 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C(C)(F)F ZINC001154114632 775001498 /nfs/dbraw/zinc/00/14/98/775001498.db2.gz OLTXEUXPQODOMZ-UHFFFAOYSA-N 1 0 305.285 0.579 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1C[C@H](C)OCCN1CC[NH+](C)CC1 ZINC001224550424 775582314 /nfs/dbraw/zinc/58/23/14/775582314.db2.gz VBZMWHPCTCKNMP-LBPRGKRZSA-N 1 0 311.386 0.752 20 5 DCBDRO COc1cccc([N+](=O)[O-])c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227694947 775998512 /nfs/dbraw/zinc/99/85/12/775998512.db2.gz CXQAXNQMMSTCHN-SNVBAGLBSA-N 1 0 313.330 0.966 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2oc(=O)ccc2cc1O ZINC001228474616 776086036 /nfs/dbraw/zinc/08/60/36/776086036.db2.gz ISJPQDKLTSXHAD-LLVKDONJSA-O 1 0 322.337 0.861 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(c1)CNC(=O)C2 ZINC001229639401 776207358 /nfs/dbraw/zinc/20/73/58/776207358.db2.gz NLHIDYMIRUZODB-CYBMUJFWSA-O 1 0 307.370 0.222 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001318302809 945316954 /nfs/dbraw/zinc/31/69/54/945316954.db2.gz MGEFMQKACJWOSR-SNVBAGLBSA-N 1 0 324.385 0.002 20 5 DCBDRO COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001268790109 940362374 /nfs/dbraw/zinc/36/23/74/940362374.db2.gz BGBVRPAMHKDENQ-VXGBXAGGSA-N 1 0 323.353 0.089 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(N)=O ZINC001485259556 943776166 /nfs/dbraw/zinc/77/61/66/943776166.db2.gz XURNHOYQFSCODH-UHFFFAOYSA-N 1 0 322.365 0.654 20 5 DCBDRO C[NH+](C)[C@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001318671068 945423711 /nfs/dbraw/zinc/42/37/11/945423711.db2.gz MQGZHXMIIODNQS-OLZOCXBDSA-N 1 0 322.365 0.746 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]CC23C[NH2+]C3)n1 ZINC001247838425 945576084 /nfs/dbraw/zinc/57/60/84/945576084.db2.gz WMIYUCPGKBMXPX-MRVPVSSYSA-N 1 0 320.284 0.455 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001321004508 946114939 /nfs/dbraw/zinc/11/49/39/946114939.db2.gz VXUIZZQCJLSOEE-UHFFFAOYSA-N 1 0 318.377 0.596 20 5 DCBDRO COc1cc(N2CCC([NH2+]CC(N)=O)CC2)ccc1[N+](=O)[O-] ZINC001256082257 946583753 /nfs/dbraw/zinc/58/37/53/946583753.db2.gz DAJBJWZJNHVGQM-UHFFFAOYSA-N 1 0 308.338 0.647 20 5 DCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001322445307 946680145 /nfs/dbraw/zinc/68/01/45/946680145.db2.gz LBRAJIVCLDZDGN-UHFFFAOYSA-N 1 0 310.358 0.074 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2CCc3cncn3C2)c1[N+](=O)[O-] ZINC001261909240 947482104 /nfs/dbraw/zinc/48/21/04/947482104.db2.gz NGHGIRRKUJMTIS-VIFPVBQESA-N 1 0 304.310 0.578 20 5 DCBDRO CN(CCC[N@H+](C)Cc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273507714 947932485 /nfs/dbraw/zinc/93/24/85/947932485.db2.gz KJNYLVFRAIOQEA-CHWSQXEVSA-N 1 0 309.370 0.366 20 5 DCBDRO [NH3+]CC1(CCNC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC001327392520 948492592 /nfs/dbraw/zinc/49/25/92/948492592.db2.gz QOPRVPAIIJIYNA-UHFFFAOYSA-N 1 0 320.349 0.456 20 5 DCBDRO CN1CC[NH+](CC2CN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC001328393330 948871920 /nfs/dbraw/zinc/87/19/20/948871920.db2.gz AWSONPLYAGZORN-UHFFFAOYSA-N 1 0 312.414 0.528 20 5 DCBDRO Cn1cc(C[N@H+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cn1 ZINC001265161560 949393397 /nfs/dbraw/zinc/39/33/97/949393397.db2.gz RVIVYQWHMRRSDA-ZIAGYGMSSA-N 1 0 321.381 0.556 20 5 DCBDRO CCCCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001281613647 951562286 /nfs/dbraw/zinc/56/22/86/951562286.db2.gz QDQYGOXZHLMRAO-CHWSQXEVSA-N 1 0 313.398 0.785 20 5 DCBDRO COC(=O)[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)OC ZINC001336888397 952781022 /nfs/dbraw/zinc/78/10/22/952781022.db2.gz JRLCEDIPTVNMIJ-STQMWFEESA-N 1 0 322.317 0.989 20 5 DCBDRO O=C(CCNc1ccccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC001341221127 953218118 /nfs/dbraw/zinc/21/81/18/953218118.db2.gz GYMZBLYJDRCXEM-UHFFFAOYSA-N 1 0 321.381 0.418 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001346473753 953897928 /nfs/dbraw/zinc/89/79/28/953897928.db2.gz WAGWCHZWRAFKRS-NHYWBVRUSA-N 1 0 316.361 0.872 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC001347063499 954014062 /nfs/dbraw/zinc/01/40/62/954014062.db2.gz PYDQGSDWBQBMOD-UHFFFAOYSA-N 1 0 318.333 0.079 20 5 DCBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001347857930 954173721 /nfs/dbraw/zinc/17/37/21/954173721.db2.gz VIFQQYNWPXZHPW-SNVBAGLBSA-N 1 0 309.326 0.301 20 5 DCBDRO Cc1cc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)cc([N+](=O)[O-])c1 ZINC001348519268 954340481 /nfs/dbraw/zinc/34/04/81/954340481.db2.gz HSCYLLKCEYESKO-UHFFFAOYSA-N 1 0 320.349 0.862 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348555605 954360134 /nfs/dbraw/zinc/36/01/34/954360134.db2.gz QMZFLYCOXKPBJX-UHFFFAOYSA-N 1 0 319.365 0.525 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348606398 954386722 /nfs/dbraw/zinc/38/67/22/954386722.db2.gz VTSZTMVUFMEZGN-UHFFFAOYSA-N 1 0 306.322 0.163 20 5 DCBDRO O=C(Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)N1CC[NH2+]CC1 ZINC001349112282 954605154 /nfs/dbraw/zinc/60/51/54/954605154.db2.gz JLVQNWADWQHZDS-UHFFFAOYSA-N 1 0 315.333 0.890 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001349418630 954745401 /nfs/dbraw/zinc/74/54/01/954745401.db2.gz UGKOHWJLILVXGE-SDDRHHMPSA-N 1 0 320.349 0.342 20 5 DCBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[NH+](C2CCC2)CC1 ZINC001355391665 956640228 /nfs/dbraw/zinc/64/02/28/956640228.db2.gz KIPAGRIWBWHTBO-UHFFFAOYSA-N 1 0 308.386 0.699 20 5 DCBDRO CC(C)(CNC(=O)CCn1cc([N+](=O)[O-])cn1)n1ccnc1 ZINC001301546632 960002496 /nfs/dbraw/zinc/00/24/96/960002496.db2.gz FLGFDTOKIUJHKV-UHFFFAOYSA-N 1 0 306.326 0.929 20 5 DCBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001304085246 960075063 /nfs/dbraw/zinc/07/50/63/960075063.db2.gz SPIJYAYQRGKNSE-LLVKDONJSA-N 1 0 321.333 0.563 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001448858304 1014073667 /nfs/dbraw/zinc/07/36/67/1014073667.db2.gz NGLVRPPNPOTMFK-OAHLLOKOSA-N 1 0 322.365 0.706 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC001523580346 1014722825 /nfs/dbraw/zinc/72/28/25/1014722825.db2.gz HKOWOLGFBTVVSM-LLVKDONJSA-N 1 0 309.322 0.664 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001471867700 1016679238 /nfs/dbraw/zinc/67/92/38/1016679238.db2.gz IEYPYNSEVRBXON-UHFFFAOYSA-N 1 0 312.282 0.157 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC001472695774 1016848920 /nfs/dbraw/zinc/84/89/20/1016848920.db2.gz FSDQEKTXAVTAQF-LBPRGKRZSA-N 1 0 308.386 0.545 20 5 DCBDRO Cn1nncc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001474562985 1017025443 /nfs/dbraw/zinc/02/54/43/1017025443.db2.gz FPSGAYPNHNWLRU-UHFFFAOYSA-N 1 0 317.353 0.877 20 5 DCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)[NH+](C)C ZINC001442612579 1009521685 /nfs/dbraw/zinc/52/16/85/1009521685.db2.gz DQMVMVRAAXSQEK-SECBINFHSA-N 1 0 319.325 0.250 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001442676077 1009608607 /nfs/dbraw/zinc/60/86/07/1009608607.db2.gz ZLDBBDDJHUIOBD-NWDGAFQWSA-N 1 0 323.353 0.079 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001558294309 1012340420 /nfs/dbraw/zinc/34/04/20/1012340420.db2.gz UYNLIZSWNMSBOV-LBPRGKRZSA-N 1 0 309.370 0.900 20 5 DCBDRO O=[N+]([O-])c1c(N2CC([NH2+][C@H]3CCOC3)C2)nc2sccn21 ZINC001559290625 1012413542 /nfs/dbraw/zinc/41/35/42/1012413542.db2.gz VZKBFMFYYYUCMD-QMMMGPOBSA-N 1 0 309.351 0.871 20 5 DCBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001460406887 1012904310 /nfs/dbraw/zinc/90/43/10/1012904310.db2.gz QMOZFYUPONYNAX-CYZMBNFOSA-N 1 0 312.370 0.984 20 5 DCBDRO C[NH+]1CCN(CCCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000172970408 198171859 /nfs/dbraw/zinc/17/18/59/198171859.db2.gz QZLFPNDTMWJILC-UHFFFAOYSA-N 1 0 320.393 0.891 20 5 DCBDRO COC(=O)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000174652239 198365537 /nfs/dbraw/zinc/36/55/37/198365537.db2.gz QNCOBQMZCAOILK-GFCCVEGCSA-N 1 0 312.326 0.037 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269196731 283507378 /nfs/dbraw/zinc/50/73/78/283507378.db2.gz RZMYLKNZYHURKH-CYBMUJFWSA-N 1 0 320.349 0.664 20 5 DCBDRO CCn1ncnc1CNC[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566123343 291272463 /nfs/dbraw/zinc/27/24/63/291272463.db2.gz HKOCDPQBIZVPKQ-GFCCVEGCSA-N 1 0 321.337 0.736 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](CO)CC(F)F)c1 ZINC000566231140 291285077 /nfs/dbraw/zinc/28/50/77/291285077.db2.gz LFSFWYINTXXYHB-KOLCDFICSA-N 1 0 320.292 0.940 20 5 DCBDRO CN(C)C[C@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566233502 291285741 /nfs/dbraw/zinc/28/57/41/291285741.db2.gz LGMFAYSYKJBYPV-LLVKDONJSA-N 1 0 310.354 0.436 20 5 DCBDRO Cc1c(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000415267618 239535304 /nfs/dbraw/zinc/53/53/04/239535304.db2.gz IROXRPLSCBYAES-SNVBAGLBSA-N 1 0 306.322 0.791 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000420419671 240025663 /nfs/dbraw/zinc/02/56/63/240025663.db2.gz IJDXUSOLKPSTNG-IWIIMEHWSA-N 1 0 311.363 0.708 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cn3ccsc3n2)c1 ZINC000567677345 291368573 /nfs/dbraw/zinc/36/85/73/291368573.db2.gz RBOASNWGQJATLO-LLVKDONJSA-N 1 0 322.350 0.651 20 5 DCBDRO [NH3+]CCCn1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000567663880 291367332 /nfs/dbraw/zinc/36/73/32/291367332.db2.gz RSYUQZQGYMFCQF-UHFFFAOYSA-N 1 0 318.337 0.508 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000567861998 291385506 /nfs/dbraw/zinc/38/55/06/291385506.db2.gz BZBCKLIUWZWADM-VHSXEESVSA-N 1 0 312.351 0.220 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000264724098 204104521 /nfs/dbraw/zinc/10/45/21/204104521.db2.gz LTLYAKITMCLJLQ-ZDUSSCGKSA-N 1 0 307.354 0.962 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141174 291614474 /nfs/dbraw/zinc/61/44/74/291614474.db2.gz UXEKBWWKKLEVCX-NWDGAFQWSA-N 1 0 319.321 0.371 20 5 DCBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000288593746 220269828 /nfs/dbraw/zinc/26/98/28/220269828.db2.gz JWYIZBOQUPHISP-SNVBAGLBSA-N 1 0 307.306 0.764 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000051760886 183836125 /nfs/dbraw/zinc/83/61/25/183836125.db2.gz PIFAYXXCGYDCHC-UHFFFAOYSA-N 1 0 306.366 0.801 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000339047586 253025015 /nfs/dbraw/zinc/02/50/15/253025015.db2.gz HPWFTGWALRQJEC-SECBINFHSA-N 1 0 319.387 0.430 20 5 DCBDRO CC(C)[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814509 253149901 /nfs/dbraw/zinc/14/99/01/253149901.db2.gz RXEGOVAAUZZFOV-UONOGXRCSA-N 1 0 312.370 0.899 20 5 DCBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000123230115 285117608 /nfs/dbraw/zinc/11/76/08/285117608.db2.gz USAOHYXYCWSKQI-MRVPVSSYSA-N 1 0 305.743 0.888 20 5 DCBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000343783181 253702842 /nfs/dbraw/zinc/70/28/42/253702842.db2.gz QUFWKPGNLFEUAO-NEPJUHHUSA-N 1 0 322.365 0.746 20 5 DCBDRO [NH3+][C@@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000346064858 254004522 /nfs/dbraw/zinc/00/45/22/254004522.db2.gz HWHWQDUKTRDJPG-SECBINFHSA-N 1 0 322.321 0.685 20 5 DCBDRO C[NH+](C)CCCC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000347486507 254161250 /nfs/dbraw/zinc/16/12/50/254161250.db2.gz QRJQXADPTXKMMZ-UHFFFAOYSA-N 1 0 324.385 0.767 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)CC[NH3+] ZINC000349941266 254305185 /nfs/dbraw/zinc/30/51/85/254305185.db2.gz WKCIYEFTZZBDIQ-SCZZXKLOSA-N 1 0 312.374 0.681 20 5 DCBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCc1ccc([N+](=O)[O-])cc1 ZINC000351517445 254341521 /nfs/dbraw/zinc/34/15/21/254341521.db2.gz ABJCXHKYFYTZHX-ZDUSSCGKSA-N 1 0 320.349 0.122 20 5 DCBDRO C[NH+](C)C/C=C/C(=O)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000271654690 209097825 /nfs/dbraw/zinc/09/78/25/209097825.db2.gz LIXVMLKWOCQJBT-CSDYLXSXSA-N 1 0 323.349 0.223 20 5 DCBDRO COC(=O)c1cn(CC[NH2+]Cc2csc([N+](=O)[O-])c2)nn1 ZINC000284218033 131060042 /nfs/dbraw/zinc/06/00/42/131060042.db2.gz ZVJTVCXPXKGXGL-UHFFFAOYSA-N 1 0 311.323 0.824 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CCO)c2ccccc2)c1 ZINC000271813111 296522100 /nfs/dbraw/zinc/52/21/00/296522100.db2.gz UPQCHBFZXDQLSB-CABCVRRESA-N 1 0 320.349 0.866 20 5 DCBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193586910 395772734 /nfs/dbraw/zinc/77/27/34/395772734.db2.gz ABPJABGSZBUFGF-SUNKGSAMSA-N 1 0 323.349 0.449 20 5 DCBDRO C[NH+]1CCC(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000048773554 395823185 /nfs/dbraw/zinc/82/31/85/395823185.db2.gz DLVOKGUQVBHRHC-UHFFFAOYSA-N 1 0 306.322 0.744 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115438697 395840139 /nfs/dbraw/zinc/84/01/39/395840139.db2.gz NLYAXFIQHWCLEO-GFCCVEGCSA-N 1 0 309.370 0.900 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)[C@H](C)C[NH3+])c([N+](=O)[O-])c1 ZINC000237238054 395907861 /nfs/dbraw/zinc/90/78/61/395907861.db2.gz WNCSEIMCQMMKIW-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO COc1cc(OCC(=O)NC[C@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000237226492 395908156 /nfs/dbraw/zinc/90/81/56/395908156.db2.gz PNBILZUWMJBXRK-NSHDSACASA-N 1 0 309.322 0.836 20 5 DCBDRO CN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000273334666 395914121 /nfs/dbraw/zinc/91/41/21/395914121.db2.gz MOVWVNADNNXNIF-DGCLKSJQSA-N 1 0 323.349 0.497 20 5 DCBDRO COc1cc(S(=O)(=O)NCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000136439818 395947014 /nfs/dbraw/zinc/94/70/14/395947014.db2.gz LGSRQMDWKWCNHR-UHFFFAOYSA-N 1 0 303.340 0.443 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1[N+](=O)[O-] ZINC000064354142 395986488 /nfs/dbraw/zinc/98/64/88/395986488.db2.gz RJNMERNXFBQICM-UHFFFAOYSA-N 1 0 316.321 0.984 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000068320759 396052458 /nfs/dbraw/zinc/05/24/58/396052458.db2.gz ZXHAOXRFZSFWDL-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000261657007 396053422 /nfs/dbraw/zinc/05/34/22/396053422.db2.gz KDLNUWVPQKCSCH-QWRGUYRKSA-N 1 0 311.363 0.967 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000156483580 396061928 /nfs/dbraw/zinc/06/19/28/396061928.db2.gz UREBOZNYCDMVBN-CABZTGNLSA-N 1 0 315.351 0.332 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000152536696 396012540 /nfs/dbraw/zinc/01/25/40/396012540.db2.gz UWILFQJZCJGWJP-UHFFFAOYSA-N 1 0 310.354 0.875 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000262483068 396145234 /nfs/dbraw/zinc/14/52/34/396145234.db2.gz KBLNTQIEHUAPMK-HNNXBMFYSA-N 1 0 304.350 0.879 20 5 DCBDRO NC(=O)c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262484730 396146239 /nfs/dbraw/zinc/14/62/39/396146239.db2.gz KHYBAQOKLYAEJG-WCFLWFBJSA-N 1 0 304.350 0.863 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000177096746 396166205 /nfs/dbraw/zinc/16/62/05/396166205.db2.gz QSJOCCXFAGIQRX-WDEREUQCSA-N 1 0 307.354 0.923 20 5 DCBDRO CC[N@H+](CCC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075675996 396185208 /nfs/dbraw/zinc/18/52/08/396185208.db2.gz UCCSQFWTHRLHOD-NSHDSACASA-N 1 0 300.315 0.037 20 5 DCBDRO COC(=O)c1cc(NC(=O)C[C@H](C[NH3+])OC)cc([N+](=O)[O-])c1 ZINC000262869131 396188651 /nfs/dbraw/zinc/18/86/51/396188651.db2.gz MECVQEUNCODYMA-LLVKDONJSA-N 1 0 311.294 0.684 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178525152 396198244 /nfs/dbraw/zinc/19/82/44/396198244.db2.gz OTIKZVQICIMSOJ-WDEREUQCSA-N 1 0 320.349 0.520 20 5 DCBDRO C[C@]1(C(N)=O)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280492404 396204169 /nfs/dbraw/zinc/20/41/69/396204169.db2.gz BJPBATWZDPGOSR-DOMZBBRYSA-N 1 0 323.349 0.532 20 5 DCBDRO C[C@]1(C(N)=O)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000280492416 396204272 /nfs/dbraw/zinc/20/42/72/396204272.db2.gz BJPBATWZDPGOSR-WFASDCNBSA-N 1 0 323.349 0.532 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000178940649 396215284 /nfs/dbraw/zinc/21/52/84/396215284.db2.gz CJDORBQNGYTMLZ-VIFPVBQESA-N 1 0 317.342 0.964 20 5 DCBDRO Cc1c(C(=O)N(C)[C@H](C)C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000179198004 396224043 /nfs/dbraw/zinc/22/40/43/396224043.db2.gz YACKWBTVEXLKJP-SECBINFHSA-N 1 0 318.337 0.903 20 5 DCBDRO O=C(CC[N@@H+](CCO)CCCO)Nc1ccccc1[N+](=O)[O-] ZINC000283424840 396336216 /nfs/dbraw/zinc/33/62/16/396336216.db2.gz WNOQVMQFPDZUBR-UHFFFAOYSA-N 1 0 311.338 0.600 20 5 DCBDRO COC(=O)c1cc(NC(=O)C[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC000269242643 396398846 /nfs/dbraw/zinc/39/88/46/396398846.db2.gz QTPHPZNBFYPCBP-LBPRGKRZSA-N 1 0 323.305 0.698 20 5 DCBDRO CN(CC1CC[NH+](C)CC1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290624896 396468008 /nfs/dbraw/zinc/46/80/08/396468008.db2.gz LVQWEYUWNRRELH-UHFFFAOYSA-N 1 0 307.354 0.867 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290850020 396474204 /nfs/dbraw/zinc/47/42/04/396474204.db2.gz XGAVCUAJHIZCFB-LDYMZIIASA-N 1 0 305.338 0.983 20 5 DCBDRO Cc1noc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000595304795 396583957 /nfs/dbraw/zinc/58/39/57/396583957.db2.gz CNGRXNSKVBMPGZ-NWDGAFQWSA-N 1 0 310.354 0.922 20 5 DCBDRO Cc1nccn1C[C@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581066780 396523231 /nfs/dbraw/zinc/52/32/31/396523231.db2.gz XHJDQPWIGLBMHF-RISCZKNCSA-N 1 0 322.369 0.583 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2cccc(O)c2)c1 ZINC000581365444 396548374 /nfs/dbraw/zinc/54/83/74/396548374.db2.gz SHWLQPLHLHFFER-AWEZNQCLSA-N 1 0 306.322 0.690 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000530893569 396585974 /nfs/dbraw/zinc/58/59/74/396585974.db2.gz FIDVRVVTJJRGKY-UHFFFAOYSA-N 1 0 323.397 0.689 20 5 DCBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000292572614 396556815 /nfs/dbraw/zinc/55/68/15/396556815.db2.gz LJBSLXURLBCKEU-AWEZNQCLSA-N 1 0 322.369 0.529 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000373057085 396562200 /nfs/dbraw/zinc/56/22/00/396562200.db2.gz NHQRZXFTWUYZIB-GXFFZTMASA-N 1 0 311.363 0.967 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cn3ccccc3n2)c1 ZINC000581602795 396567618 /nfs/dbraw/zinc/56/76/18/396567618.db2.gz REBSSXKEIFXCMP-CYBMUJFWSA-N 1 0 316.321 0.590 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000374427350 396663543 /nfs/dbraw/zinc/66/35/43/396663543.db2.gz IFLXCPZLXNSCLF-GFCCVEGCSA-N 1 0 307.354 0.782 20 5 DCBDRO C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294312303 396667240 /nfs/dbraw/zinc/66/72/40/396667240.db2.gz NYGRZNRTBBNENQ-VIFPVBQESA-N 1 0 316.383 0.719 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000562560737 396670269 /nfs/dbraw/zinc/67/02/69/396670269.db2.gz PWWBLOBFZQYXAX-NSHDSACASA-N 1 0 310.354 0.510 20 5 DCBDRO C[C@H]([NH2+]CCN1C(=O)CNC1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294428243 396674200 /nfs/dbraw/zinc/67/42/00/396674200.db2.gz UPRJHXYGTYEIDG-QMMMGPOBSA-N 1 0 307.310 0.379 20 5 DCBDRO CC(C)OC[C@H]([NH3+])C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595914558 396681923 /nfs/dbraw/zinc/68/19/23/396681923.db2.gz BVTQGEPPAGZRHD-ZDUSSCGKSA-N 1 0 310.354 0.875 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCC[C@H]1CCC[NH2+]1 ZINC000562977511 396689126 /nfs/dbraw/zinc/68/91/26/396689126.db2.gz BLOSSJBORRNFBG-LLVKDONJSA-N 1 0 308.338 0.405 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1CC([NH3+])C1 ZINC000295302786 396690992 /nfs/dbraw/zinc/69/09/92/396690992.db2.gz VENQUPOHYFDAGC-CBZQXFMTSA-N 1 0 320.349 0.661 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1COCCO1 ZINC000562988995 396691521 /nfs/dbraw/zinc/69/15/21/396691521.db2.gz VGYCNXHRTMDZAY-NWDGAFQWSA-N 1 0 312.322 0.340 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863559 396696173 /nfs/dbraw/zinc/69/61/73/396696173.db2.gz QBRACHCNBULZLO-UONOGXRCSA-N 1 0 305.334 0.876 20 5 DCBDRO Cc1ccc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000588873636 396696786 /nfs/dbraw/zinc/69/67/86/396696786.db2.gz NIVCWBXQOXULBS-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO O=C([C@H]1C[C@]12CC[NH2+]C2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563096673 396702798 /nfs/dbraw/zinc/70/27/98/396702798.db2.gz FGEOETPOCWMYFK-DOMZBBRYSA-N 1 0 319.365 0.954 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCCC[NH+]1CCC(O)CC1 ZINC000596085896 396716152 /nfs/dbraw/zinc/71/61/52/396716152.db2.gz NNOJUYWDELGXQJ-UHFFFAOYSA-N 1 0 322.365 0.952 20 5 DCBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000596468963 396782379 /nfs/dbraw/zinc/78/23/79/396782379.db2.gz QKLMBALETHUZMM-UHFFFAOYSA-N 1 0 311.342 0.015 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000313041774 396768243 /nfs/dbraw/zinc/76/82/43/396768243.db2.gz RLMJPWYXSZWQHR-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000564950390 396909518 /nfs/dbraw/zinc/90/95/18/396909518.db2.gz BEGUBWXNRRTPFD-SNVBAGLBSA-N 1 0 308.338 0.508 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000591374630 396912273 /nfs/dbraw/zinc/91/22/73/396912273.db2.gz QAKXKNGTMYIEGS-SNVBAGLBSA-N 1 0 306.322 0.031 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC[C@H](O)C1 ZINC000600808218 396947569 /nfs/dbraw/zinc/94/75/69/396947569.db2.gz MTVUFLRYXNIQBR-LBPRGKRZSA-N 1 0 323.349 0.547 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808670 396948209 /nfs/dbraw/zinc/94/82/09/396948209.db2.gz OTRMUOYKYAIPHE-NSHDSACASA-N 1 0 309.322 0.400 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000571540000 396962676 /nfs/dbraw/zinc/96/26/76/396962676.db2.gz SLJZKOAOQNQCRI-QWRGUYRKSA-N 1 0 320.349 0.420 20 5 DCBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000571880260 396995849 /nfs/dbraw/zinc/99/58/49/396995849.db2.gz CGZCITQYHDOZLK-GFCCVEGCSA-N 1 0 313.379 0.761 20 5 DCBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000601166530 397013863 /nfs/dbraw/zinc/01/38/63/397013863.db2.gz MOUXPEUVJSSLQO-BQBZGAKWSA-N 1 0 323.275 0.458 20 5 DCBDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591675480 396974070 /nfs/dbraw/zinc/97/40/70/396974070.db2.gz NIUCLNDGEKCVBZ-CYBMUJFWSA-N 1 0 319.365 0.636 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206265 397129323 /nfs/dbraw/zinc/12/93/23/397129323.db2.gz YMOIWOUCJQLPNB-VXGBXAGGSA-N 1 0 324.333 0.829 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1C[NH2+]C1 ZINC000592389387 397167497 /nfs/dbraw/zinc/16/74/97/397167497.db2.gz WVOIPBLMGZCLOD-UHFFFAOYSA-N 1 0 301.324 0.196 20 5 DCBDRO C[C@@H](CCCC[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592389708 397167530 /nfs/dbraw/zinc/16/75/30/397167530.db2.gz VDRUZKOPZQDBNE-VIFPVBQESA-N 1 0 302.356 0.786 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592555573 397213744 /nfs/dbraw/zinc/21/37/44/397213744.db2.gz ZVKXCYHYOODPME-NWDGAFQWSA-N 1 0 322.369 0.425 20 5 DCBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000592562816 397216057 /nfs/dbraw/zinc/21/60/57/397216057.db2.gz QDVMXCUFCYHVRE-JLLWLGSASA-N 1 0 305.338 0.705 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364082604 397180509 /nfs/dbraw/zinc/18/05/09/397180509.db2.gz FZSJYJUWFXVXKL-NEPJUHHUSA-N 1 0 307.354 0.843 20 5 DCBDRO O=C1CC[C@@H](C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)N1 ZINC000593018057 397313173 /nfs/dbraw/zinc/31/31/73/397313173.db2.gz JUBNSCLLULPICY-QWRGUYRKSA-N 1 0 305.338 0.755 20 5 DCBDRO Nc1nc(N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc(N)[nH+]1 ZINC000599084274 397332479 /nfs/dbraw/zinc/33/24/79/397332479.db2.gz QWMBJSLGTIXRRF-SNVBAGLBSA-N 1 0 315.337 0.989 20 5 DCBDRO CN(CCOCC[NH3+])S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000599110984 397341127 /nfs/dbraw/zinc/34/11/27/397341127.db2.gz INJJSYIDCXAEGT-UHFFFAOYSA-N 1 0 321.330 0.330 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCN1CC[C@@H](O)C1)OCCO2 ZINC000599010115 397323468 /nfs/dbraw/zinc/32/34/68/397323468.db2.gz PIVZUUQAKXSUEC-GFCCVEGCSA-N 1 0 323.349 0.522 20 5 DCBDRO CN1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1=O ZINC000602528051 397430376 /nfs/dbraw/zinc/43/03/76/397430376.db2.gz OJXGHIVHYQBUTL-GFCCVEGCSA-N 1 0 319.365 0.779 20 5 DCBDRO NC(=O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000578618813 397459611 /nfs/dbraw/zinc/45/96/11/397459611.db2.gz SVWFSFMLQXICIC-ZDUSSCGKSA-N 1 0 319.321 0.041 20 5 DCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000578892018 397499891 /nfs/dbraw/zinc/49/98/91/397499891.db2.gz VZTDECKASBYSDW-SFYZADRCSA-N 1 0 312.301 0.914 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000599951479 397551388 /nfs/dbraw/zinc/55/13/88/397551388.db2.gz WWTQLTUWWHQZTA-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO COC(=O)C[C@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000579709105 397589319 /nfs/dbraw/zinc/58/93/19/397589319.db2.gz WIHZHBCTNPKXHP-LBPRGKRZSA-N 1 0 307.306 0.370 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000603833510 397623291 /nfs/dbraw/zinc/62/32/91/397623291.db2.gz QEMJFDCCPPWEDE-YRGRVCCFSA-N 1 0 307.350 0.486 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@](C)(O)C[NH+](C)C ZINC000132961498 158315723 /nfs/dbraw/zinc/31/57/23/158315723.db2.gz FTHPKDYEGRZUCF-CQSZACIVSA-N 1 0 310.354 0.679 20 5 DCBDRO CNS(=O)(=O)c1ccc(NC[C@H](C)C[NH2+]C)c([N+](=O)[O-])c1 ZINC000133247711 158317032 /nfs/dbraw/zinc/31/70/32/158317032.db2.gz BQCHJLASEFLQOY-SECBINFHSA-N 1 0 316.383 0.770 20 5 DCBDRO C[N@@H+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1(C)C ZINC000330434700 159172666 /nfs/dbraw/zinc/17/26/66/159172666.db2.gz YDUYQTJYBRVCCE-UHFFFAOYSA-N 1 0 309.370 0.679 20 5 DCBDRO C[NH+](C)[C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432847 159208309 /nfs/dbraw/zinc/20/83/09/159208309.db2.gz DBAJHMTZHUZJLP-GXTWGEPZSA-N 1 0 311.386 0.568 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCC(C[NH3+])CC2)c([N+](=O)[O-])n1 ZINC000353241145 159248302 /nfs/dbraw/zinc/24/83/02/159248302.db2.gz CJXOXIGQIDEZRI-UHFFFAOYSA-N 1 0 317.371 0.171 20 5 DCBDRO CCOC[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000246462109 287083939 /nfs/dbraw/zinc/08/39/39/287083939.db2.gz FMPJSDJCFHMIDB-YPMHNXCESA-N 1 0 310.354 0.873 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000420410326 287295942 /nfs/dbraw/zinc/29/59/42/287295942.db2.gz ACFRJAQWMBMTGM-LBPRGKRZSA-N 1 0 313.379 0.666 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000420414446 287296581 /nfs/dbraw/zinc/29/65/81/287296581.db2.gz GZIVPULDFZPTCO-GFCCVEGCSA-N 1 0 313.379 0.809 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000332105482 415247231 /nfs/dbraw/zinc/24/72/31/415247231.db2.gz RMMRZPVQHLKNNV-LLVKDONJSA-N 1 0 308.338 0.717 20 5 DCBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000352813711 415332375 /nfs/dbraw/zinc/33/23/75/415332375.db2.gz DWLHBKCYXVIMKK-WCFLWFBJSA-N 1 0 312.322 0.026 20 5 DCBDRO CN1CCO[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000332291244 415335042 /nfs/dbraw/zinc/33/50/42/415335042.db2.gz JMGUUYSJIVSABL-HUUCEWRRSA-N 1 0 307.350 0.988 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CC[NH2+]CC1 ZINC000353102720 415438045 /nfs/dbraw/zinc/43/80/45/415438045.db2.gz RZYFBMIUBSZCMD-UHFFFAOYSA-N 1 0 307.306 0.340 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])n1 ZINC000353216737 415479827 /nfs/dbraw/zinc/47/98/27/415479827.db2.gz LAFZKVBNSPONFG-MRVPVSSYSA-N 1 0 305.360 0.073 20 5 DCBDRO C[C@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000343792582 415732368 /nfs/dbraw/zinc/73/23/68/415732368.db2.gz NHTLYAZOMIYAIR-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO CO[C@@H](C[NH3+])C(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290120778 415765053 /nfs/dbraw/zinc/76/50/53/415765053.db2.gz ZJOTUPALAFGPSS-AWEZNQCLSA-N 1 0 323.349 0.938 20 5 DCBDRO NC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337312279 415942612 /nfs/dbraw/zinc/94/26/12/415942612.db2.gz DZTFXQRZVIITRG-SNVBAGLBSA-N 1 0 321.337 0.666 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000356738897 415980163 /nfs/dbraw/zinc/98/01/63/415980163.db2.gz FRFUMAKZVGLXBO-GHMZBOCLSA-N 1 0 307.354 0.885 20 5 DCBDRO COc1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000153393011 415980798 /nfs/dbraw/zinc/98/07/98/415980798.db2.gz WNAGGVCRRHTYDS-AWEZNQCLSA-N 1 0 311.338 0.646 20 5 DCBDRO C[C@@H]1[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000345290778 416073249 /nfs/dbraw/zinc/07/32/49/416073249.db2.gz LHIMOAWUOVAZFB-MNOVXSKESA-N 1 0 308.338 0.355 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@](C)(O)CN1CCOCC1 ZINC000301732904 416089483 /nfs/dbraw/zinc/08/94/83/416089483.db2.gz ACTFDHAQPVHDMU-AWEZNQCLSA-N 1 0 310.354 0.793 20 5 DCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000345740823 416142124 /nfs/dbraw/zinc/14/21/24/416142124.db2.gz PLEZMLORSMVFCE-VXGBXAGGSA-N 1 0 324.385 0.915 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000358052870 416178153 /nfs/dbraw/zinc/17/81/53/416178153.db2.gz GSLRMOTUANUTSE-CQSZACIVSA-N 1 0 311.313 0.459 20 5 DCBDRO COc1cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000358059551 416182758 /nfs/dbraw/zinc/18/27/58/416182758.db2.gz RRONHFFVRVOIJL-CQSZACIVSA-N 1 0 309.322 0.400 20 5 DCBDRO CCC[NH+]1CCC(N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000330648753 416222115 /nfs/dbraw/zinc/22/21/15/416222115.db2.gz IXCGIDDSOKWVSH-UHFFFAOYSA-N 1 0 310.358 0.519 20 5 DCBDRO C[NH+](C)CCNC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000182597208 416226145 /nfs/dbraw/zinc/22/61/45/416226145.db2.gz SJSLBBAMCFUHFE-CYBMUJFWSA-N 1 0 306.322 0.766 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000183953086 416250739 /nfs/dbraw/zinc/25/07/39/416250739.db2.gz LWQWYOGBUKTBLJ-UHFFFAOYSA-N 1 0 309.366 0.876 20 5 DCBDRO C[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000192187097 416301010 /nfs/dbraw/zinc/30/10/10/416301010.db2.gz XPLYIQFYZIYRBJ-PWSUYJOCSA-N 1 0 300.384 0.980 20 5 DCBDRO O=[N+]([O-])c1cccc(C[N@H+](CCO)CCN2CCOCC2)c1 ZINC000352252478 416311007 /nfs/dbraw/zinc/31/10/07/416311007.db2.gz ZHHUSFSBFFVSSS-UHFFFAOYSA-N 1 0 309.366 0.721 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000193362045 416315928 /nfs/dbraw/zinc/31/59/28/416315928.db2.gz CNWOARKLFNJKDI-UHFFFAOYSA-N 1 0 317.367 0.418 20 5 DCBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246871188 416332400 /nfs/dbraw/zinc/33/24/00/416332400.db2.gz UQDSPPHFWITJOM-WCQYABFASA-N 1 0 307.354 0.734 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000415450298 416344250 /nfs/dbraw/zinc/34/42/50/416344250.db2.gz MWNYOCUOEDZFEG-CYBMUJFWSA-N 1 0 320.349 0.949 20 5 DCBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418764580 416389927 /nfs/dbraw/zinc/38/99/27/416389927.db2.gz KTWXVVYZYIUNHQ-CYBMUJFWSA-N 1 0 322.365 0.767 20 5 DCBDRO [NH3+]C[C@H]1Cc2ccccc2N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000422627670 416443206 /nfs/dbraw/zinc/44/32/06/416443206.db2.gz PSWMDUIDGAMQLQ-LLVKDONJSA-N 1 0 301.306 0.708 20 5 DCBDRO Cc1c(CC(=O)NC[C@H]2C[NH2+]CCCO2)cccc1[N+](=O)[O-] ZINC000423701755 416543982 /nfs/dbraw/zinc/54/39/82/416543982.db2.gz ADWKGNUOULLPFT-CYBMUJFWSA-N 1 0 307.350 0.940 20 5 DCBDRO [NH3+][C@@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000423723565 416549360 /nfs/dbraw/zinc/54/93/60/416549360.db2.gz LRSKHKLMJICUOJ-GFCCVEGCSA-N 1 0 319.321 1.164 20 5 DCBDRO Nc1nccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000594236400 416558357 /nfs/dbraw/zinc/55/83/57/416558357.db2.gz NVNIUWZNYFMLBE-UWVGGRQHSA-N 1 0 305.338 0.929 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000584005448 416492219 /nfs/dbraw/zinc/49/22/19/416492219.db2.gz UGMDKURCJYTHJC-DTWKUNHWSA-N 1 0 311.729 0.391 20 5 DCBDRO CCc1n[nH]c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000584181681 416506417 /nfs/dbraw/zinc/50/64/17/416506417.db2.gz FTUPUZAERYBUCG-CQSZACIVSA-N 1 0 323.353 0.067 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423469276 416514789 /nfs/dbraw/zinc/51/47/89/416514789.db2.gz YVCVKPZOXWNLAZ-NSHDSACASA-N 1 0 322.365 0.756 20 5 DCBDRO CNc1nccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000584850951 416516538 /nfs/dbraw/zinc/51/65/38/416516538.db2.gz RESNLRNTIMVRHQ-SNVBAGLBSA-N 1 0 307.354 1.103 20 5 DCBDRO [NH3+]C[C@@H](C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000423896598 416583715 /nfs/dbraw/zinc/58/37/15/416583715.db2.gz GRUNMQFMZJAYRM-CYBMUJFWSA-N 1 0 321.312 0.789 20 5 DCBDRO Cc1ccc([C@@H]([NH3+])C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000423901923 416586112 /nfs/dbraw/zinc/58/61/12/416586112.db2.gz LHCTZQGTKRYHKD-CYBMUJFWSA-N 1 0 303.322 0.916 20 5 DCBDRO [NH3+]C[C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000429075208 287333898 /nfs/dbraw/zinc/33/38/98/287333898.db2.gz QLSLRFCADSLZRI-JTQLQIEISA-N 1 0 321.333 0.716 20 5 DCBDRO Cn1cc([C@@H]2C[N@H+](CCn3ccc([N+](=O)[O-])n3)C[C@H]2CO)cn1 ZINC000444751254 416866467 /nfs/dbraw/zinc/86/64/67/416866467.db2.gz CQGMQGRGHNCWNC-STQMWFEESA-N 1 0 320.353 0.233 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000428483322 416899771 /nfs/dbraw/zinc/89/97/71/416899771.db2.gz JFGVAWDIKKCVCA-ZJUUUORDSA-N 1 0 322.321 0.352 20 5 DCBDRO C[C@H]([NH3+])c1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000429490987 416979546 /nfs/dbraw/zinc/97/95/46/416979546.db2.gz KQDFJYBKMYVJNC-VIFPVBQESA-N 1 0 304.310 0.522 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000429967949 417009085 /nfs/dbraw/zinc/00/90/85/417009085.db2.gz GUBQTXNZZLAAIH-ZDUSSCGKSA-N 1 0 323.349 0.988 20 5 DCBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000522000337 417041295 /nfs/dbraw/zinc/04/12/95/417041295.db2.gz ORJRQVRCXNEVTH-MFKMUULPSA-N 1 0 323.353 0.676 20 5 DCBDRO C[C@@H](C[NH3+])N(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000430973398 417092049 /nfs/dbraw/zinc/09/20/49/417092049.db2.gz UIFPZRZQFGKEKK-QMMMGPOBSA-N 1 0 310.310 0.541 20 5 DCBDRO COc1cc(OCC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)ccc1[N+](=O)[O-] ZINC000449743580 417173764 /nfs/dbraw/zinc/17/37/64/417173764.db2.gz ZGZKWRYPVODKNH-MFKMUULPSA-N 1 0 321.333 0.803 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450260107 417214197 /nfs/dbraw/zinc/21/41/97/417214197.db2.gz ZVVSGCYRTNZZQT-NSHDSACASA-N 1 0 308.386 1.131 20 5 DCBDRO CC1=CCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000569805020 417296398 /nfs/dbraw/zinc/29/63/98/417296398.db2.gz WQSQUPSNCWTAHV-AWEZNQCLSA-N 1 0 309.370 0.394 20 5 DCBDRO COC(=O)c1cnc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000450779996 417264344 /nfs/dbraw/zinc/26/43/44/417264344.db2.gz PBJLIGVPTNIPMF-JOYOIKCWSA-N 1 0 306.322 0.917 20 5 DCBDRO O=C1NC(=O)[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]12 ZINC000451635448 417369501 /nfs/dbraw/zinc/36/95/01/417369501.db2.gz QRJNHGHCHRTXRV-TXEJJXNPSA-N 1 0 305.290 0.178 20 5 DCBDRO Cc1cc(C[C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000571198745 417431838 /nfs/dbraw/zinc/43/18/38/417431838.db2.gz XJGQKPHYONPVIQ-TVQRCGJNSA-N 1 0 308.342 0.405 20 5 DCBDRO CNc1nc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000455523382 417607162 /nfs/dbraw/zinc/60/71/62/417607162.db2.gz ZOZWWPZKLPWBHW-SNVBAGLBSA-N 1 0 305.338 0.952 20 5 DCBDRO O=C(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000577172335 417668854 /nfs/dbraw/zinc/66/88/54/417668854.db2.gz PUPFKMBAGRDXIY-LBPRGKRZSA-N 1 0 323.349 0.547 20 5 DCBDRO C[C@H](O)C[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000189309432 261131875 /nfs/dbraw/zinc/13/18/75/261131875.db2.gz ULXGHGVJBLWERQ-ZDUSSCGKSA-N 1 0 309.366 0.972 20 5 DCBDRO O=C(NCC[NH+]1CCC(O)CC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000321799165 261178331 /nfs/dbraw/zinc/17/83/31/261178331.db2.gz WJSJWKYYSIGZBL-UHFFFAOYSA-N 1 0 311.313 0.920 20 5 DCBDRO C[N@@H+]1CC[C@@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000355617831 261353948 /nfs/dbraw/zinc/35/39/48/261353948.db2.gz KGPFWOMICDVJBH-GFCCVEGCSA-N 1 0 313.379 0.761 20 5 DCBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)CN1CCOCC1 ZINC000412086695 262181266 /nfs/dbraw/zinc/18/12/66/262181266.db2.gz FWMMEEDLMHHVHQ-UHFFFAOYSA-N 1 0 311.386 0.834 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418359402 262275212 /nfs/dbraw/zinc/27/52/12/262275212.db2.gz FFQOSOVCLCMHOG-GFCCVEGCSA-N 1 0 319.365 0.788 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418926221 262299197 /nfs/dbraw/zinc/29/91/97/262299197.db2.gz UDKFYFWBIGFNQF-LLVKDONJSA-N 1 0 320.349 0.074 20 5 DCBDRO CN(CC[NH3+])C(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419163356 262315131 /nfs/dbraw/zinc/31/51/31/262315131.db2.gz JLLDXSDKOMTVIZ-UHFFFAOYSA-N 1 0 314.729 0.282 20 5 DCBDRO Cc1[nH]nc(C(=O)Nc2ccnn2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000359499148 271121685 /nfs/dbraw/zinc/12/16/85/271121685.db2.gz CKJWQOLNTWJPHP-UHFFFAOYSA-N 1 0 307.314 0.637 20 5 DCBDRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000411922562 271230708 /nfs/dbraw/zinc/23/07/08/271230708.db2.gz UXYXYYJAMVNQOY-JTQLQIEISA-N 1 0 324.312 0.883 20 5 DCBDRO [NH3+]CCCCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419831893 271330672 /nfs/dbraw/zinc/33/06/72/271330672.db2.gz MUYZUYDFTJQCTK-UHFFFAOYSA-N 1 0 320.349 0.335 20 5 DCBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420442042 271370608 /nfs/dbraw/zinc/37/06/08/271370608.db2.gz DKUOJUXHAVBZBV-JTQLQIEISA-N 1 0 301.368 0.746 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1CCCO ZINC000420639467 271373997 /nfs/dbraw/zinc/37/39/97/271373997.db2.gz QDWSHPHFPCPEJW-NSHDSACASA-N 1 0 322.365 0.952 20 5 DCBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc([N+](=O)[O-])n[nH]1 ZINC000422778381 271384816 /nfs/dbraw/zinc/38/48/16/271384816.db2.gz HIUFTHWADUIJCE-UHFFFAOYSA-N 1 0 317.309 0.375 20 5 DCBDRO COC(=O)c1cc(C(=O)NC[C@@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000422787840 271385261 /nfs/dbraw/zinc/38/52/61/271385261.db2.gz QOJNMORTTCCZQO-NSHDSACASA-N 1 0 307.306 0.863 20 5 DCBDRO CCn1cc(S(=O)(=O)NCCC[NH+](C)C)c([N+](=O)[O-])n1 ZINC000489075107 272056338 /nfs/dbraw/zinc/05/63/38/272056338.db2.gz OJCROFHYIQQEJK-UHFFFAOYSA-N 1 0 305.360 0.041 20 5 DCBDRO C[NH+](C)C/C=C\C(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000492363885 272126825 /nfs/dbraw/zinc/12/68/25/272126825.db2.gz LIXVMLKWOCQJBT-SQLJOLKNSA-N 1 0 323.349 0.223 20 5 DCBDRO CC[C@@H](CO)[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342266880 273719208 /nfs/dbraw/zinc/71/92/08/273719208.db2.gz NLMAGFZVBJYUID-NSHDSACASA-N 1 0 322.365 0.587 20 5 DCBDRO CC[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000457129572 276541385 /nfs/dbraw/zinc/54/13/85/276541385.db2.gz WMQBODPSHHKXCM-GFCCVEGCSA-N 1 0 321.381 0.979 20 5 DCBDRO CO[C@@H](C[NH3+])CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261614543 277629255 /nfs/dbraw/zinc/62/92/55/277629255.db2.gz BKIBEMJKFFJEGO-GFCCVEGCSA-N 1 0 322.365 0.607 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000347625478 278183955 /nfs/dbraw/zinc/18/39/55/278183955.db2.gz QNJXENJCEUWTDN-RKDXNWHRSA-N 1 0 310.310 0.256 20 5 DCBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1c[nH]nc1[N+](=O)[O-] ZINC000548950547 288188555 /nfs/dbraw/zinc/18/85/55/288188555.db2.gz FJECSWFZGQDPFF-JTQLQIEISA-N 1 0 311.342 0.285 20 5 DCBDRO C[C@H]1C[N@H+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CCCO1 ZINC000549357284 288196929 /nfs/dbraw/zinc/19/69/29/288196929.db2.gz ZNTHMARYOMSYSX-JTQLQIEISA-N 1 0 311.342 0.549 20 5 DCBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCN1CC[NH2+]CC1 ZINC000238067255 303591354 /nfs/dbraw/zinc/59/13/54/303591354.db2.gz UWAXJGATCCUSRW-UHFFFAOYSA-N 1 0 306.366 0.549 20 5 DCBDRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393623922 337093284 /nfs/dbraw/zinc/09/32/84/337093284.db2.gz UNXYNLIKHNKZNE-ZYHUDNBSSA-N 1 0 300.359 0.539 20 5 DCBDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1=O ZINC000582721097 337124984 /nfs/dbraw/zinc/12/49/84/337124984.db2.gz UGCJUJQNEPWAFX-NSHDSACASA-N 1 0 306.322 0.744 20 5 DCBDRO O=C(NCC[N@@H+]1CCCOCC1)Nc1ccncc1[N+](=O)[O-] ZINC000188568342 526312063 /nfs/dbraw/zinc/31/20/63/526312063.db2.gz GMDYLGAABIWWBB-UHFFFAOYSA-N 1 0 309.326 0.834 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000238088899 527204249 /nfs/dbraw/zinc/20/42/49/527204249.db2.gz RPPMBQJWLRVZTL-CYBMUJFWSA-N 1 0 316.317 0.903 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC1CC[NH2+]CC1 ZINC000428735151 535949900 /nfs/dbraw/zinc/94/99/00/535949900.db2.gz VGJWQNAVNNJVGG-NSHDSACASA-N 1 0 324.385 0.695 20 5 DCBDRO O=C(NC[C@H]1CC[NH2+]C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000273024055 545992270 /nfs/dbraw/zinc/99/22/70/545992270.db2.gz LLAJVAMEPUNANQ-JTQLQIEISA-N 1 0 316.321 0.515 20 5 DCBDRO CCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000821114131 599230429 /nfs/dbraw/zinc/23/04/29/599230429.db2.gz JGEAFGINRUUTNE-UHFFFAOYSA-N 1 0 318.341 0.702 20 5 DCBDRO COCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736990312 598500644 /nfs/dbraw/zinc/50/06/44/598500644.db2.gz MYLKJAQDKKONMU-UHFFFAOYSA-N 1 0 322.329 0.160 20 5 DCBDRO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736847581 598500745 /nfs/dbraw/zinc/50/07/45/598500745.db2.gz HTGZEBDIHFWHMZ-UHFFFAOYSA-N 1 0 318.341 0.924 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000050246561 658171209 /nfs/dbraw/zinc/17/12/09/658171209.db2.gz CKKIAKSRAVXWRU-VIFPVBQESA-N 1 0 315.351 0.573 20 5 DCBDRO Cc1noc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC000934271283 658264235 /nfs/dbraw/zinc/26/42/35/658264235.db2.gz GFEPIFBPIWPTSO-VXGBXAGGSA-N 1 0 310.354 0.922 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)F)C1 ZINC001021770817 658382745 /nfs/dbraw/zinc/38/27/45/658382745.db2.gz ROFQFIDOHZCWMI-DTORHVGOSA-N 1 0 313.333 0.813 20 5 DCBDRO CS(=O)(=O)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158624432 658527741 /nfs/dbraw/zinc/52/77/41/658527741.db2.gz DVFSJXFPBNPOTF-LBPRGKRZSA-N 1 0 302.352 0.653 20 5 DCBDRO C[NH2+][C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000261674617 661384577 /nfs/dbraw/zinc/38/45/77/661384577.db2.gz GEOVVQGTSPQSKJ-QMMMGPOBSA-N 1 0 303.340 0.490 20 5 DCBDRO COc1cc(N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000261693582 661423696 /nfs/dbraw/zinc/42/36/96/661423696.db2.gz JHGLHJLIYZPLPN-NSHDSACASA-N 1 0 322.365 0.895 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000158667776 661614388 /nfs/dbraw/zinc/61/43/88/661614388.db2.gz MWIPTGBWSJFMAL-OLZOCXBDSA-N 1 0 314.363 0.795 20 5 DCBDRO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1C ZINC000983652416 661998023 /nfs/dbraw/zinc/99/80/23/661998023.db2.gz CFUKFCJPJOLVMN-HBJVGIJOSA-N 1 0 321.381 0.378 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000895010514 662042868 /nfs/dbraw/zinc/04/28/68/662042868.db2.gz RZAJGYDTQQTBDD-CQSZACIVSA-N 1 0 305.338 0.974 20 5 DCBDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000898843116 663110374 /nfs/dbraw/zinc/11/03/74/663110374.db2.gz AXUCRURLEFGZHN-WDEREUQCSA-N 1 0 307.354 0.780 20 5 DCBDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000898843114 663110416 /nfs/dbraw/zinc/11/04/16/663110416.db2.gz AXUCRURLEFGZHN-MNOVXSKESA-N 1 0 307.354 0.780 20 5 DCBDRO C[NH+]1CCC(N(CCO)C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000911940757 664127156 /nfs/dbraw/zinc/12/71/56/664127156.db2.gz VIAVXOXOORQDCT-UHFFFAOYSA-N 1 0 308.338 0.519 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913288909 664298366 /nfs/dbraw/zinc/29/83/66/664298366.db2.gz IADRWQISGPNAJK-GJZGRUSLSA-N 1 0 321.381 0.900 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863328940 667130980 /nfs/dbraw/zinc/13/09/80/667130980.db2.gz HJJIKZBJQNORKB-BOTMBNHJSA-N 1 0 305.334 0.791 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC([NH2+]CC3CC3)CC2)c1 ZINC000923292675 667497737 /nfs/dbraw/zinc/49/77/37/667497737.db2.gz YZOZHLQPTHCNGK-OAHLLOKOSA-N 1 0 323.397 0.616 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1COCCO1)OCCO2 ZINC000748819651 667940240 /nfs/dbraw/zinc/94/02/40/667940240.db2.gz LNKPBRRNIIPVHZ-LLVKDONJSA-N 1 0 310.306 0.871 20 5 DCBDRO COc1ccc(NC(=O)C[NH2+][C@H](CO)C2CC2)c([N+](=O)[O-])c1 ZINC000763086265 668397109 /nfs/dbraw/zinc/39/71/09/668397109.db2.gz RKUFHCPHTALCKV-GFCCVEGCSA-N 1 0 309.322 0.902 20 5 DCBDRO O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC000764272262 668441733 /nfs/dbraw/zinc/44/17/33/668441733.db2.gz FCUXVZCSBFOOIL-LLVKDONJSA-N 1 0 323.353 0.691 20 5 DCBDRO C[C@@H]1CN(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCO1 ZINC000877020680 668552710 /nfs/dbraw/zinc/55/27/10/668552710.db2.gz CHOXDRBYPBKEGJ-PNESKVBLSA-N 1 0 309.370 0.805 20 5 DCBDRO O=[N+]([O-])c1cnc2ccc(N3CC[NH+](CCCCO)CC3)nn21 ZINC000767237089 668565327 /nfs/dbraw/zinc/56/53/27/668565327.db2.gz MJEJKCYURRAAON-UHFFFAOYSA-N 1 0 320.353 0.532 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277147 668874687 /nfs/dbraw/zinc/87/46/87/668874687.db2.gz MRXUBFMUFBHLAK-DOMZBBRYSA-N 1 0 309.366 0.627 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880579721 669241580 /nfs/dbraw/zinc/24/15/80/669241580.db2.gz UPONNVAJAKXGJA-ZDUSSCGKSA-N 1 0 324.381 0.963 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000931725306 669255254 /nfs/dbraw/zinc/25/52/54/669255254.db2.gz WOZYNGZCFLVQGY-SCRDCRAPSA-N 1 0 309.370 0.321 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000932298602 669344033 /nfs/dbraw/zinc/34/40/33/669344033.db2.gz NMFOWQYFAFPDSW-GFCCVEGCSA-N 1 0 307.354 0.700 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741599 669530098 /nfs/dbraw/zinc/53/00/98/669530098.db2.gz YFRKLIKGDFMKDW-BNOWGMLFSA-N 1 0 309.370 0.036 20 5 DCBDRO COC(=O)c1cnc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])c1 ZINC000790767832 669574614 /nfs/dbraw/zinc/57/46/14/669574614.db2.gz LDTMANIAHIIQNP-UHFFFAOYSA-N 1 0 310.310 0.066 20 5 DCBDRO Cn1cc(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])n1 ZINC000934277058 669590311 /nfs/dbraw/zinc/59/03/11/669590311.db2.gz YEUZKZKGOQKBGN-STQMWFEESA-N 1 0 309.370 0.359 20 5 DCBDRO C[C@@H]1CSCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934301089 669593008 /nfs/dbraw/zinc/59/30/08/669593008.db2.gz SSCTVHYPXWXDSS-ZYHUDNBSSA-N 1 0 300.384 0.980 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000133138696 669782741 /nfs/dbraw/zinc/78/27/41/669782741.db2.gz PYXWLRAPXWBKTP-SNVBAGLBSA-N 1 0 315.351 0.619 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000808221926 670400272 /nfs/dbraw/zinc/40/02/72/670400272.db2.gz UFSNFCHJPGYXJP-CYBMUJFWSA-N 1 0 307.350 0.710 20 5 DCBDRO COCCN1CC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000809733009 670459681 /nfs/dbraw/zinc/45/96/81/670459681.db2.gz OKACFPTZIQQGHD-HIFRSBDPSA-N 1 0 309.366 0.939 20 5 DCBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC000812322017 670573401 /nfs/dbraw/zinc/57/34/01/670573401.db2.gz GNGSYDIXCCZXIY-MNOVXSKESA-N 1 0 307.354 0.660 20 5 DCBDRO Cc1cc(F)cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1[N+](=O)[O-] ZINC000848306655 670667205 /nfs/dbraw/zinc/66/72/05/670667205.db2.gz XDGVPDCEKNNHRQ-NWDGAFQWSA-N 1 0 323.324 0.933 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000858640587 671025905 /nfs/dbraw/zinc/02/59/05/671025905.db2.gz PRZKSBWLHDUWTQ-ZETCQYMHSA-N 1 0 321.330 0.710 20 5 DCBDRO O=C1COc2cc([N+](=O)[O-])c(NCC[N@H+]3CC[C@@H](O)C3)cc2N1 ZINC000858811515 671043209 /nfs/dbraw/zinc/04/32/09/671043209.db2.gz BSWOHONZDCVAQF-SECBINFHSA-N 1 0 322.321 0.404 20 5 DCBDRO C[C@H]1COCCN1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819018501 671085101 /nfs/dbraw/zinc/08/51/01/671085101.db2.gz UBSVBCWVMUUUGE-WFASDCNBSA-N 1 0 309.366 0.939 20 5 DCBDRO C[S@](=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819033202 671087176 /nfs/dbraw/zinc/08/71/76/671087176.db2.gz MHXGGZRFJBFZAP-SBKAZYGRSA-N 1 0 302.352 0.303 20 5 DCBDRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819132296 671097773 /nfs/dbraw/zinc/09/77/73/671097773.db2.gz VUYFAMXLEQAAFV-BXUZGUMPSA-N 1 0 305.334 0.981 20 5 DCBDRO NC(=O)NC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000819150792 671098317 /nfs/dbraw/zinc/09/83/17/671098317.db2.gz RWHYEUTUIXMKLK-UHFFFAOYSA-N 1 0 300.702 0.923 20 5 DCBDRO NS(=O)(=O)CCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819332882 671112798 /nfs/dbraw/zinc/11/27/98/671112798.db2.gz YFFJSRMKQDBZFD-LBPRGKRZSA-N 1 0 317.367 0.287 20 5 DCBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1[NH2+]CC12CCOCC2 ZINC000852790012 671160602 /nfs/dbraw/zinc/16/06/02/671160602.db2.gz NIRSFSFLOCLNQC-CYBMUJFWSA-N 1 0 305.334 0.980 20 5 DCBDRO C[C@@]1(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000852928824 671196769 /nfs/dbraw/zinc/19/67/69/671196769.db2.gz UCLBCXHELVKCSO-CQSZACIVSA-N 1 0 303.322 0.813 20 5 DCBDRO Cc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1[N+](=O)[O-] ZINC000825648490 671468632 /nfs/dbraw/zinc/46/86/32/671468632.db2.gz SRHUJLWVSPSLPK-OAHLLOKOSA-N 1 0 318.377 0.909 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000827278652 671520941 /nfs/dbraw/zinc/52/09/41/671520941.db2.gz XPSISBSLAUWGLJ-GXSJLCMTSA-N 1 0 306.322 0.862 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000827328260 671522792 /nfs/dbraw/zinc/52/27/92/671522792.db2.gz DKJFOPMLRVCLGG-AAEUAGOBSA-N 1 0 320.349 0.309 20 5 DCBDRO Cc1cc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000834316128 671754019 /nfs/dbraw/zinc/75/40/19/671754019.db2.gz AQJNBWSOIRCXCA-JOYOIKCWSA-N 1 0 308.338 0.674 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834452407 671761135 /nfs/dbraw/zinc/76/11/35/671761135.db2.gz IEZHZGWQUVGKIZ-NSHDSACASA-N 1 0 322.365 0.899 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841174608 671918090 /nfs/dbraw/zinc/91/80/90/671918090.db2.gz YKSZFKQMPSINBU-SSDOTTSWSA-N 1 0 314.729 0.992 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841982920 671971096 /nfs/dbraw/zinc/97/10/96/671971096.db2.gz TVQXEEHVZKPEJA-NSHDSACASA-N 1 0 307.354 0.774 20 5 DCBDRO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842483823 672014438 /nfs/dbraw/zinc/01/44/38/672014438.db2.gz RFZXMOSMVNHMRP-SNVBAGLBSA-N 1 0 314.367 0.656 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCn2cc(CO)nn2)cc1 ZINC000843094016 672060675 /nfs/dbraw/zinc/06/06/75/672060675.db2.gz ISPSSQUXEVDVLK-CQSZACIVSA-N 1 0 321.337 0.392 20 5 DCBDRO C[C@H](C[C@@H](O)c1ccco1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843102351 672061926 /nfs/dbraw/zinc/06/19/26/672061926.db2.gz WRCWJKYSMUMLMZ-RAIGVLPGSA-N 1 0 324.337 0.847 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCO1 ZINC000843357712 672086888 /nfs/dbraw/zinc/08/68/88/672086888.db2.gz VHIYKPHUSCRYOI-QMTHXVAHSA-N 1 0 322.365 0.849 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000845722789 672271395 /nfs/dbraw/zinc/27/13/95/672271395.db2.gz KQIFLTVTYBCAFW-GFCCVEGCSA-N 1 0 320.349 0.210 20 5 DCBDRO CC[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(C)C ZINC000845916940 672282598 /nfs/dbraw/zinc/28/25/98/672282598.db2.gz DTVISZPZSTYCNX-UHFFFAOYSA-N 1 0 316.383 0.998 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867418019 672309356 /nfs/dbraw/zinc/30/93/56/672309356.db2.gz PRCHKUJGIWOBPC-CQSZACIVSA-N 1 0 311.313 0.459 20 5 DCBDRO CCO[C@@H]1CN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000846694151 672338121 /nfs/dbraw/zinc/33/81/21/672338121.db2.gz NGSBTJGRRUXNRP-ZWNOBZJWSA-N 1 0 308.338 0.613 20 5 DCBDRO Cc1nocc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072721064 694656920 /nfs/dbraw/zinc/65/69/20/694656920.db2.gz BSCVDGZLHLAKKE-CHWSQXEVSA-N 1 0 320.349 0.683 20 5 DCBDRO CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(N)=O ZINC001755036154 1157909583 /nfs/dbraw/zinc/90/95/83/1157909583.db2.gz BQUYWEJXWYZXAY-UHFFFAOYSA-N 1 0 322.365 0.751 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330763 1159972328 /nfs/dbraw/zinc/97/23/28/1159972328.db2.gz OFUWHKYETCKTRH-LDYMZIIASA-N 1 0 305.338 0.785 20 5 DCBDRO COc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001568848400 1160814345 /nfs/dbraw/zinc/81/43/45/1160814345.db2.gz JVDVCAUDFCVFIP-XCUNLHGCSA-N 1 0 320.349 0.517 20 5 DCBDRO C[C@@H](C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1F ZINC001575069406 1163878370 /nfs/dbraw/zinc/87/83/70/1163878370.db2.gz LQSPISLLACCNOZ-KOLCDFICSA-N 1 0 311.313 0.942 20 5 DCBDRO CC1(C)CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)[NH2+]C1 ZINC001576416935 1164336103 /nfs/dbraw/zinc/33/61/03/1164336103.db2.gz MZVGMEMZBUYYAQ-LLVKDONJSA-N 1 0 322.365 0.651 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(CC)CC[NH3+] ZINC001577175832 1164621214 /nfs/dbraw/zinc/62/12/14/1164621214.db2.gz JMDCJIXNYFRTEW-SNVBAGLBSA-N 1 0 312.374 0.634 20 5 DCBDRO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cc(C[NH3+])ccn1 ZINC001578379409 1164993030 /nfs/dbraw/zinc/99/30/30/1164993030.db2.gz DAGCZLDMFXUKJN-UHFFFAOYSA-N 1 0 317.305 0.273 20 5 DCBDRO CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001578485742 1165032215 /nfs/dbraw/zinc/03/22/15/1165032215.db2.gz DXOCJDPGLYJGSO-ZBINZKHDSA-N 1 0 307.350 0.998 20 5 DCBDRO C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001579464829 1165318475 /nfs/dbraw/zinc/31/84/75/1165318475.db2.gz OUXUONHFSOKROE-ZWNOBZJWSA-N 1 0 307.354 0.914 20 5 DCBDRO NC(=O)c1ccc(CN2C[C@H]3CC[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001580103370 1165504663 /nfs/dbraw/zinc/50/46/63/1165504663.db2.gz ZHAPUNWMSJRIKY-YPMHNXCESA-N 1 0 304.350 0.735 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1CCCCC[NH2+]1 ZINC001580578293 1165643309 /nfs/dbraw/zinc/64/33/09/1165643309.db2.gz DKACEVVJICTJQD-LLVKDONJSA-N 1 0 308.338 0.405 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580667431 1165680989 /nfs/dbraw/zinc/68/09/89/1165680989.db2.gz RLPQRVOHHQHQDL-MELADBBJSA-N 1 0 305.334 0.803 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@]1(F)C[NH2+]CC12COC2 ZINC001580718429 1165698388 /nfs/dbraw/zinc/69/83/88/1165698388.db2.gz IEFQDYUIPCNHKW-AWEZNQCLSA-N 1 0 309.297 0.539 20 5 DCBDRO C[C@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1)[NH+](C)C ZINC001589876620 1166704166 /nfs/dbraw/zinc/70/41/66/1166704166.db2.gz HQJLVCIZVIQWNH-SSDOTTSWSA-N 1 0 306.330 0.719 20 5 DCBDRO CCC[C@@H]1CN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[NH2+]1 ZINC001590568272 1166944577 /nfs/dbraw/zinc/94/45/77/1166944577.db2.gz AVHZEAAHJYLSRH-SECBINFHSA-N 1 0 318.341 0.748 20 5 DCBDRO CC[N@@H+]1CCCN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001590732355 1166990083 /nfs/dbraw/zinc/99/00/83/1166990083.db2.gz NSOLTZPBQGNDJT-UHFFFAOYSA-N 1 0 318.341 0.702 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001605044195 1169794331 /nfs/dbraw/zinc/79/43/31/1169794331.db2.gz JPMNHXVWMKWHRO-LBPRGKRZSA-N 1 0 307.314 0.551 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001609602671 1171038965 /nfs/dbraw/zinc/03/89/65/1171038965.db2.gz CFKPMXTWVBMTDP-DTORHVGOSA-N 1 0 301.310 0.431 20 5 DCBDRO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC001628524137 1171529199 /nfs/dbraw/zinc/52/91/99/1171529199.db2.gz JCHYCJQXEWEOSK-UHFFFAOYSA-N 1 0 308.338 0.309 20 5 DCBDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001639307820 1171832239 /nfs/dbraw/zinc/83/22/39/1171832239.db2.gz GOPFFWZDIDJZRV-PHIMTYICSA-N 1 0 308.338 0.213 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCC[NH+]2CCC(O)CC2)n1 ZINC001640860786 1171897022 /nfs/dbraw/zinc/89/70/22/1171897022.db2.gz UVZSFUSDNBVNHX-UHFFFAOYSA-N 1 0 308.338 0.485 20 5 DCBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001645427202 1172040640 /nfs/dbraw/zinc/04/06/40/1172040640.db2.gz ZZRYWRGKWNWRGS-SECBINFHSA-N 1 0 309.297 0.937 20 5 DCBDRO CO[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC001653654229 1173793139 /nfs/dbraw/zinc/79/31/39/1173793139.db2.gz VVOFGYJLIHEXRA-CHWSQXEVSA-N 1 0 312.370 0.899 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC001654962142 1173814179 /nfs/dbraw/zinc/81/41/79/1173814179.db2.gz PEJHMFGTIVNCDY-GFCCVEGCSA-N 1 0 323.353 0.920 20 5 DCBDRO C[C@]12C[N@H+](Cc3cccnc3[N+](=O)[O-])C[C@@]1(C)C(=O)NC2=O ZINC001655296613 1173818169 /nfs/dbraw/zinc/81/81/69/1173818169.db2.gz KYFGURPORQUPFR-OKILXGFUSA-N 1 0 304.306 0.474 20 5 DCBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001655439170 1173820029 /nfs/dbraw/zinc/82/00/29/1173820029.db2.gz IWMRTFZNDIULIQ-JTQLQIEISA-N 1 0 304.310 0.976 20 5 DCBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)c1 ZINC001656257568 1173855336 /nfs/dbraw/zinc/85/53/36/1173855336.db2.gz DAKWNVJWTZKUJZ-GFCCVEGCSA-N 1 0 300.336 0.234 20 5 DCBDRO COc1cc(C[NH2+]CC[C@H]2CNC(=O)C2)c([N+](=O)[O-])cc1O ZINC001656918398 1173895275 /nfs/dbraw/zinc/89/52/75/1173895275.db2.gz UXQBCYGYFMRLFC-SECBINFHSA-N 1 0 309.322 0.925 20 5 DCBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](CO)[C@H](O)C2)cccc1[N+](=O)[O-] ZINC001658943454 1173928818 /nfs/dbraw/zinc/92/88/18/1173928818.db2.gz XJTMTAPXJONVGY-BXUZGUMPSA-N 1 0 323.349 0.517 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccnn1C ZINC001660524792 1174004374 /nfs/dbraw/zinc/00/43/74/1174004374.db2.gz IUIDHSRUYYPDJH-CHWSQXEVSA-N 1 0 309.370 0.414 20 5 DCBDRO NC(=O)C(=O)NC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001665944424 1174574791 /nfs/dbraw/zinc/57/47/91/1174574791.db2.gz JTHMOWUTQPZJLE-UHFFFAOYSA-N 1 0 320.349 0.599 20 5 DCBDRO NC(=O)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001691807622 1177364289 /nfs/dbraw/zinc/36/42/89/1177364289.db2.gz YFBWUPJJXHYCQE-HOMQSWHASA-N 1 0 306.322 0.065 20 5 DCBDRO C[C@H](O)C[NH2+]CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000132320296 1177523742 /nfs/dbraw/zinc/52/37/42/1177523742.db2.gz CJGHXGSFWRXNEZ-VIFPVBQESA-N 1 0 317.367 0.381 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cn[nH]n1 ZINC001713609765 1180965510 /nfs/dbraw/zinc/96/55/10/1180965510.db2.gz RWYCMKUFZLERQZ-UHFFFAOYSA-N 1 0 304.310 0.575 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237551386 1181017010 /nfs/dbraw/zinc/01/70/10/1181017010.db2.gz YSMSSCQCEAEBDC-NOZJJQNGSA-N 1 0 320.349 0.567 20 5 DCBDRO CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001713938577 1181161107 /nfs/dbraw/zinc/16/11/07/1181161107.db2.gz KYJJCKIPPIROCM-JOCQHMNTSA-N 1 0 320.349 0.468 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1nc[nH]n1 ZINC001714768835 1181533947 /nfs/dbraw/zinc/53/39/47/1181533947.db2.gz UGQWCSYJJAXGDT-UHFFFAOYSA-N 1 0 304.310 0.575 20 5 DCBDRO CCN(CC[NH2+]Cc1cccnc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715732136 1181964529 /nfs/dbraw/zinc/96/45/29/1181964529.db2.gz QYMJGUIPWLGMQG-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO CN(CC[NH2+]CCCC1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731908971 1185565700 /nfs/dbraw/zinc/56/57/00/1185565700.db2.gz XAIJCLBCGFDNSP-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO CCN(CC[NH2+]CCC1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732775056 1185961189 /nfs/dbraw/zinc/96/11/89/1185961189.db2.gz NJCPFFNGUFRHBW-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO O=C(NCC1=CC[N@H+](CCOCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001734623453 1186709169 /nfs/dbraw/zinc/70/91/69/1186709169.db2.gz DKDNVQWOMUORTQ-HUUCEWRRSA-N 1 0 323.393 0.827 20 5 DCBDRO CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001754736647 1188913657 /nfs/dbraw/zinc/91/36/57/1188913657.db2.gz VGKGZGQIPGTDHW-CHWSQXEVSA-N 1 0 313.398 0.953 20 5 DCBDRO Cc1ncoc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755036360 1189003094 /nfs/dbraw/zinc/00/30/94/1189003094.db2.gz CLLMJDJBZCXDSJ-VXGBXAGGSA-N 1 0 310.354 0.929 20 5 DCBDRO [NH3+]Cc1cccn1-c1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001167585572 747407921 /nfs/dbraw/zinc/40/79/21/747407921.db2.gz CFTFZHFXNGAZGJ-UHFFFAOYSA-N 1 0 304.310 0.471 20 5 DCBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1-n1nnc(CC[NH3+])n1 ZINC001167793294 748317571 /nfs/dbraw/zinc/31/75/71/748317571.db2.gz ZJVAMTDRLDCDOZ-UHFFFAOYSA-N 1 0 306.282 0.167 20 5 DCBDRO O=C(CCn1ccnn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126263703 748348482 /nfs/dbraw/zinc/34/84/82/748348482.db2.gz BXMWWFFJQOCBMZ-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO CCn1ncc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001126711075 749629966 /nfs/dbraw/zinc/62/99/66/749629966.db2.gz FAACILBZFKKURZ-UHFFFAOYSA-N 1 0 324.366 0.787 20 5 DCBDRO CC[N@@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001116345344 752754347 /nfs/dbraw/zinc/75/43/47/752754347.db2.gz QXZXYOYGPGCOCL-UHFFFAOYSA-N 1 0 308.338 0.311 20 5 DCBDRO C[NH+]1CC(CNc2cc([N+](=O)[O-])cc(Br)[n+]2[O-])C1 ZINC001170253906 762592284 /nfs/dbraw/zinc/59/22/84/762592284.db2.gz DWTSZIJXTQKCFH-UHFFFAOYSA-N 1 0 317.143 0.964 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccc[nH]1 ZINC001154563346 758753783 /nfs/dbraw/zinc/75/37/83/758753783.db2.gz YZOPFLCTDJDONB-UHFFFAOYSA-N 1 0 306.326 0.566 20 5 DCBDRO Cc1noc(C)c1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086082337 759691261 /nfs/dbraw/zinc/69/12/61/759691261.db2.gz KBCFPODESRMNCG-GFQSEFKGSA-N 1 0 322.365 0.941 20 5 DCBDRO CC(C)(C)C(=O)CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156054552 760293211 /nfs/dbraw/zinc/29/32/11/760293211.db2.gz WUSHHZRCQWZKCB-UHFFFAOYSA-N 1 0 322.369 0.822 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCN2CCS(=O)(=O)CC2)C1 ZINC001168984738 760531397 /nfs/dbraw/zinc/53/13/97/760531397.db2.gz AAQDAOIFBLZDDD-OLZOCXBDSA-N 1 0 319.427 0.142 20 5 DCBDRO COC(=O)[C@@H]1COCCC12C[NH+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169036175 760554949 /nfs/dbraw/zinc/55/49/49/760554949.db2.gz FQMUZSNDVNRAAQ-AGIUHOORSA-N 1 0 312.366 0.943 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2nsnc2c1[N+](=O)[O-] ZINC001169074539 760574570 /nfs/dbraw/zinc/57/45/70/760574570.db2.gz QUTYXIYLPOTQAD-SSDOTTSWSA-N 1 0 320.334 0.647 20 5 DCBDRO CN(CCNC(=O)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cn1 ZINC001100115507 763326867 /nfs/dbraw/zinc/32/68/67/763326867.db2.gz SYUPEJVDOPTGTG-UHFFFAOYSA-N 1 0 307.354 0.638 20 5 DCBDRO COc1ccc(NCCOCCOCC[NH3+])nc1[N+](=O)[O-] ZINC001170504690 763388133 /nfs/dbraw/zinc/38/81/33/763388133.db2.gz DWPXDPZKMJAZRC-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO CCOC(=O)c1cnc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170564322 763840306 /nfs/dbraw/zinc/84/03/06/763840306.db2.gz PVVNEGOGTZQHFK-SKDRFNHKSA-N 1 0 324.337 0.955 20 5 DCBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC001118176992 766246315 /nfs/dbraw/zinc/24/63/15/766246315.db2.gz RNHRGAXRHNNRNK-VIFPVBQESA-N 1 0 317.367 0.880 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001118205688 766254889 /nfs/dbraw/zinc/25/48/89/766254889.db2.gz NKTRGDYXSSAHAU-SNVBAGLBSA-N 1 0 305.338 0.916 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001119350557 766641368 /nfs/dbraw/zinc/64/13/68/766641368.db2.gz CSWUUGMGKXGNRJ-UWVGGRQHSA-N 1 0 308.338 0.626 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001119533418 766716620 /nfs/dbraw/zinc/71/66/20/766716620.db2.gz VTKXROHOJQVEFS-GDBMZVCRSA-N 1 0 319.361 0.935 20 5 DCBDRO O=C(CC[NH2+]CCN1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC001120467352 767027656 /nfs/dbraw/zinc/02/76/56/767027656.db2.gz KCUMBYGIAGBZNM-UHFFFAOYSA-N 1 0 322.365 0.845 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1C[C@]23C[N@H+](C)C[C@@]2(C1)CCCC3 ZINC001121297505 767503743 /nfs/dbraw/zinc/50/37/43/767503743.db2.gz AWMMMEHZKAJGDI-GASCZTMLSA-N 1 0 320.397 0.904 20 5 DCBDRO C[C@@]1(NC(=O)c2cc([N+](=O)[O-])cnc2N)C[NH+]2CCC1CC2 ZINC001146873262 767565704 /nfs/dbraw/zinc/56/57/04/767565704.db2.gz FOZYAOQDVALXBX-CQSZACIVSA-N 1 0 305.338 0.786 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122314189 767766049 /nfs/dbraw/zinc/76/60/49/767766049.db2.gz VTGWZFWYCQORTL-ZDUSSCGKSA-N 1 0 323.349 0.811 20 5 DCBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122478994 767811862 /nfs/dbraw/zinc/81/18/62/767811862.db2.gz OEVSPVGCXWJVAB-MSRIBSCDSA-N 1 0 319.317 0.656 20 5 DCBDRO CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001122588329 767838060 /nfs/dbraw/zinc/83/80/60/767838060.db2.gz SKWUFDMHJAABGE-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO O=C(Cn1cncn1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001150249731 769047093 /nfs/dbraw/zinc/04/70/93/769047093.db2.gz AWEROODHVVMYIS-UHFFFAOYSA-N 1 0 310.339 0.154 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(Nc2nccnc2C[NH3+])n1 ZINC001171444871 769065620 /nfs/dbraw/zinc/06/56/20/769065620.db2.gz QYJHIATUQXRDMB-UHFFFAOYSA-N 1 0 304.266 0.769 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(CC[NH3+])CCO)c1F ZINC001173177831 769554987 /nfs/dbraw/zinc/55/49/87/769554987.db2.gz WXKDARUJOJKFKT-SNVBAGLBSA-N 1 0 315.345 0.927 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCOC[C@H]2C[NH+](C)C)n1 ZINC001154978187 770357443 /nfs/dbraw/zinc/35/74/43/770357443.db2.gz PXKODZIFGSSXRK-SNVBAGLBSA-N 1 0 311.342 0.469 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CCOC[C@@H]2C[NH+](C)C)n1 ZINC001154978184 770357595 /nfs/dbraw/zinc/35/75/95/770357595.db2.gz PXKODZIFGSSXRK-JTQLQIEISA-N 1 0 311.342 0.469 20 5 DCBDRO CCC(=O)NCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155801858 770622150 /nfs/dbraw/zinc/62/21/50/770622150.db2.gz DSUKNTXFUWHCBU-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO Cn1cc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001178458538 770759463 /nfs/dbraw/zinc/75/94/63/770759463.db2.gz KMRVUAILDFCMSP-ZIAGYGMSSA-N 1 0 323.397 0.852 20 5 DCBDRO CN(C)C(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458719 770759873 /nfs/dbraw/zinc/75/98/73/770759873.db2.gz UVIGKDRBDIKLGL-VXGBXAGGSA-N 1 0 314.386 0.006 20 5 DCBDRO Cc1nc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)co1 ZINC001157018292 771518076 /nfs/dbraw/zinc/51/80/76/771518076.db2.gz LKCHMLRLXKPHRL-UHFFFAOYSA-N 1 0 322.325 0.534 20 5 DCBDRO CCc1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001157767435 771665823 /nfs/dbraw/zinc/66/58/23/771665823.db2.gz MUKWPWZTTNQLHS-RKDXNWHRSA-N 1 0 313.383 0.362 20 5 DCBDRO CCS(=O)(=O)N(c1cccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC001157894601 771688566 /nfs/dbraw/zinc/68/85/66/771688566.db2.gz DCLWIQFUWGOOSF-UHFFFAOYSA-N 1 0 314.367 0.898 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2c(C)cnc2C[NH3+])n1 ZINC001158169520 771733728 /nfs/dbraw/zinc/73/37/28/771733728.db2.gz NIKJLEXPUYWZLJ-UHFFFAOYSA-N 1 0 305.298 0.604 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001158263150 771750072 /nfs/dbraw/zinc/75/00/72/771750072.db2.gz ZUVLXIRUIZCMQZ-LBPRGKRZSA-N 1 0 321.381 0.538 20 5 DCBDRO Nc1nc(N2CCO[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001158309296 771756514 /nfs/dbraw/zinc/75/65/14/771756514.db2.gz HBMINUGNMBRAAR-LLVKDONJSA-N 1 0 307.354 0.873 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001158643780 771800248 /nfs/dbraw/zinc/80/02/48/771800248.db2.gz WKALTFATUWJYDU-FZMZJTMJSA-N 1 0 321.337 0.425 20 5 DCBDRO COc1nc(NCCOCCOCC[NH3+])ccc1[N+](=O)[O-] ZINC001159444738 771911088 /nfs/dbraw/zinc/91/10/88/771911088.db2.gz LZTSDZFZURVADT-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc(OC)cc1[N+](=O)[O-] ZINC001159754964 771952809 /nfs/dbraw/zinc/95/28/09/771952809.db2.gz DNIMYIHKVOCEJK-NXEZZACHSA-N 1 0 310.310 0.561 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@]2(C[NH3+])CN3CCC2CC3)n1 ZINC001160514354 772055458 /nfs/dbraw/zinc/05/54/58/772055458.db2.gz VZMQLLWHRRXDJE-AWEZNQCLSA-N 1 0 322.369 0.537 20 5 DCBDRO O=[N+]([O-])c1cc(NCc2nnc3n2CCC[NH2+]C3)cnc1F ZINC001163022370 772445304 /nfs/dbraw/zinc/44/53/04/772445304.db2.gz UISYECZOGLOTSY-UHFFFAOYSA-N 1 0 307.289 0.826 20 5 DCBDRO COc1nc(N[C@H]2COCCC23C[NH2+]C3)nc(C)c1[N+](=O)[O-] ZINC001163067980 772453460 /nfs/dbraw/zinc/45/34/60/772453460.db2.gz FGECDQMAYVAYBT-VIFPVBQESA-N 1 0 309.326 0.492 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163146778 772471471 /nfs/dbraw/zinc/47/14/71/772471471.db2.gz ZJYNNHOFRVROPC-RAIGVLPGSA-N 1 0 307.306 0.780 20 5 DCBDRO O=[N+]([O-])c1c[nH]c2ncnc(NC[C@]34C[NH2+]C[C@H]3COC4)c12 ZINC001163152460 772472613 /nfs/dbraw/zinc/47/26/13/772472613.db2.gz CHXREZPHUZOAOV-SDBXPKJASA-N 1 0 304.310 0.514 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncc3cccc([N+](=O)[O-])c3n2)N1 ZINC001163243235 772489499 /nfs/dbraw/zinc/48/94/99/772489499.db2.gz RVUYYQHPQHZZDM-IINYFYTJSA-N 1 0 314.305 0.528 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001163273002 772497393 /nfs/dbraw/zinc/49/73/93/772497393.db2.gz XHUXPFMIHLFHDG-QMTHXVAHSA-N 1 0 323.353 0.964 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])cc1NC[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001163284142 772498502 /nfs/dbraw/zinc/49/85/02/772498502.db2.gz KPHWRZFNWARQFQ-BXUZGUMPSA-N 1 0 308.338 0.799 20 5 DCBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])c(OC)n1 ZINC001163439402 772524785 /nfs/dbraw/zinc/52/47/85/772524785.db2.gz SVFCUQQDDIMBCX-QMMMGPOBSA-N 1 0 312.330 0.049 20 5 DCBDRO CCOC(=O)CC1([NH3+])CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001163531276 772536871 /nfs/dbraw/zinc/53/68/71/772536871.db2.gz RHCIQKQTRYBDDT-UHFFFAOYSA-N 1 0 323.353 0.823 20 5 DCBDRO CCCN(CCOC)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163642100 772551369 /nfs/dbraw/zinc/55/13/69/772551369.db2.gz JYOJOHCMHYGMBH-UHFFFAOYSA-N 1 0 324.385 0.657 20 5 DCBDRO Cc1nn[nH]c1C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001163740371 772564690 /nfs/dbraw/zinc/56/46/90/772564690.db2.gz UNCWNDMBJXYAFW-UHFFFAOYSA-N 1 0 318.337 0.931 20 5 DCBDRO CCOC(=O)COc1ncc(N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001164281899 772636085 /nfs/dbraw/zinc/63/60/85/772636085.db2.gz QJLBBGLYEAQKRX-VIFPVBQESA-N 1 0 310.310 0.469 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCNCC(F)(F)C2)nc1C1C[NH2+]C1 ZINC001164502325 772669048 /nfs/dbraw/zinc/66/90/48/772669048.db2.gz PCGXEDGAFSGBQJ-UHFFFAOYSA-N 1 0 314.296 0.117 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001165144763 772700728 /nfs/dbraw/zinc/70/07/28/772700728.db2.gz JXACKCVLYBJYIE-AOOOYVTPSA-N 1 0 306.322 0.774 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCOCC12C[NH2+]C2 ZINC001165285564 772717797 /nfs/dbraw/zinc/71/77/97/772717797.db2.gz FGNNEQZWMRIELB-UHFFFAOYSA-N 1 0 300.702 0.060 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001165344165 772725549 /nfs/dbraw/zinc/72/55/49/772725549.db2.gz BWBZMHBBWFVIBE-AWEZNQCLSA-N 1 0 323.353 0.157 20 5 DCBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ccc([N+](=O)[O-])c(N)n1 ZINC001165407551 772733954 /nfs/dbraw/zinc/73/39/54/772733954.db2.gz QIELPYGNYBKEIQ-INTQDDNPSA-N 1 0 321.337 0.302 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@@H]([NH3+])C(F)(F)C2)c([N+](=O)[O-])c1 ZINC001166961279 772889794 /nfs/dbraw/zinc/88/97/94/772889794.db2.gz OESAVTHZTBJUEV-SECBINFHSA-N 1 0 316.264 0.949 20 5 DCBDRO CCOc1nc(N(C2C[NH2+]C2)S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC001166970281 772894059 /nfs/dbraw/zinc/89/40/59/772894059.db2.gz JBQXTQVKKXSJIG-UHFFFAOYSA-N 1 0 316.339 0.126 20 5 DCBDRO CCS(=O)(=O)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001206294413 773063711 /nfs/dbraw/zinc/06/37/11/773063711.db2.gz VDKZMPNFTMBYMP-UHFFFAOYSA-N 1 0 316.383 0.909 20 5 DCBDRO COc1c(O)ccc(C[NH2+]CC[C@H]2CNC(=O)C2)c1[N+](=O)[O-] ZINC001207485358 773217360 /nfs/dbraw/zinc/21/73/60/773217360.db2.gz QANHICZVKFNOCT-SECBINFHSA-N 1 0 309.322 0.925 20 5 DCBDRO COC[C@@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001207758122 773294737 /nfs/dbraw/zinc/29/47/37/773294737.db2.gz SJWIXGBAWVZRLI-ZDUSSCGKSA-N 1 0 310.354 0.556 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001209656332 773631648 /nfs/dbraw/zinc/63/16/48/773631648.db2.gz IAAOFYWKAPNSRZ-VIFPVBQESA-N 1 0 321.337 0.767 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1n[nH]c(-c2cccnc2)n1 ZINC001228696405 776114707 /nfs/dbraw/zinc/11/47/07/776114707.db2.gz WWUAACXPKPIZJV-LLVKDONJSA-N 1 0 306.346 0.229 20 5 DCBDRO CC1(NC(=O)C(N)=O)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001278071606 945123856 /nfs/dbraw/zinc/12/38/56/945123856.db2.gz LHDLJXUZNVAVAI-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO O=C(NC/C=C/C[NH2+]Cc1ccc(F)cn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483007187 941774567 /nfs/dbraw/zinc/77/45/67/941774567.db2.gz GRKSXHAUGNULKV-DKZVVXNFSA-N 1 0 308.313 0.648 20 5 DCBDRO CN(CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001280850084 944655925 /nfs/dbraw/zinc/65/59/25/944655925.db2.gz MVMSLKSCNKIFNA-UHFFFAOYSA-N 1 0 308.338 0.360 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001319591299 945625874 /nfs/dbraw/zinc/62/58/74/945625874.db2.gz HOTFMMZKZXXTSC-QWRGUYRKSA-N 1 0 320.349 0.498 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001320223052 945774962 /nfs/dbraw/zinc/77/49/62/945774962.db2.gz RFRNIQRHSZINGL-AWEZNQCLSA-N 1 0 308.338 0.433 20 5 DCBDRO O=c1[nH]ccn2c(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)nnc12 ZINC001462583792 1013072030 /nfs/dbraw/zinc/07/20/30/1013072030.db2.gz BHXHJADDNPPDMW-UHFFFAOYSA-N 1 0 314.305 0.658 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1C[NH2+]CCN1C ZINC001263076817 947803029 /nfs/dbraw/zinc/80/30/29/947803029.db2.gz KJPQLJQLAHLOAL-GFCCVEGCSA-N 1 0 308.338 0.123 20 5 DCBDRO CCOC(=O)c1cc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC001326325599 948129020 /nfs/dbraw/zinc/12/90/20/948129020.db2.gz RDAKRAWNFSUANF-UHFFFAOYSA-N 1 0 308.298 0.481 20 5 DCBDRO CN(CCC[NH3+])C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001327612868 948571888 /nfs/dbraw/zinc/57/18/88/948571888.db2.gz IHPULRQHHHHKKA-UHFFFAOYSA-N 1 0 308.338 0.360 20 5 DCBDRO O=C(CN(Cc1cccc([N+](=O)[O-])c1)C1CC1)N1CC[NH2+]CC1 ZINC001328490987 948920466 /nfs/dbraw/zinc/92/04/66/948920466.db2.gz ASUJCVTXWQNEGD-UHFFFAOYSA-N 1 0 318.377 0.991 20 5 DCBDRO C[NH2+]CCC1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001328522395 948940288 /nfs/dbraw/zinc/94/02/88/948940288.db2.gz LYNGFRZTFZADGX-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001329823810 949900609 /nfs/dbraw/zinc/90/06/09/949900609.db2.gz ONXDVHLWRNATAW-NXEZZACHSA-N 1 0 308.338 0.496 20 5 DCBDRO O=C(NC[C@H]1COCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001330010429 950056242 /nfs/dbraw/zinc/05/62/42/950056242.db2.gz UNXQVOJRFHVXDG-LBPRGKRZSA-N 1 0 306.322 0.608 20 5 DCBDRO Cc1ncc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001490193813 950409776 /nfs/dbraw/zinc/40/97/76/950409776.db2.gz YTJQAAWFNXWPNK-CHWSQXEVSA-N 1 0 307.354 0.388 20 5 DCBDRO CC(=O)NCCN1CCC([NH2+]Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC001279416257 950568250 /nfs/dbraw/zinc/56/82/50/950568250.db2.gz OFZJLEVVYGLVED-UHFFFAOYSA-N 1 0 324.385 0.018 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001334656058 952370895 /nfs/dbraw/zinc/37/08/95/952370895.db2.gz ISYRSFMFCZHLSG-JTQLQIEISA-N 1 0 323.353 0.831 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001334938027 952416579 /nfs/dbraw/zinc/41/65/79/952416579.db2.gz XYEPREWLDZZVIJ-JQWIXIFHSA-N 1 0 320.349 0.355 20 5 DCBDRO CC[NH+]1CCN(C2CN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC001337982253 952943731 /nfs/dbraw/zinc/94/37/31/952943731.db2.gz DZAVQRWXOJWCRX-UHFFFAOYSA-N 1 0 309.345 0.955 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001338462069 953016610 /nfs/dbraw/zinc/01/66/10/953016610.db2.gz KZOBBLMYQYIWTL-UHTWSYAYSA-N 1 0 307.354 0.638 20 5 DCBDRO CCOc1ccc(C(=O)N2CCNCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001342622913 953299242 /nfs/dbraw/zinc/29/92/42/953299242.db2.gz NOHDKTIUFPIUOR-UHFFFAOYSA-N 1 0 322.365 0.629 20 5 DCBDRO COC[C@]1(c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)CC[NH2+]C1 ZINC001345669610 953700250 /nfs/dbraw/zinc/70/02/50/953700250.db2.gz LSMBDGDKWIPPDQ-ZDUSSCGKSA-N 1 0 322.325 0.564 20 5 DCBDRO CCn1c(CC[NH3+])nnc1Sc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001347219762 954049765 /nfs/dbraw/zinc/04/97/65/954049765.db2.gz QFGBREPWACKYGU-UHFFFAOYSA-N 1 0 310.339 0.959 20 5 DCBDRO CN1CC(N2CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001347363859 954078775 /nfs/dbraw/zinc/07/87/75/954078775.db2.gz ZFOQFUCLMPXICD-UHFFFAOYSA-N 1 0 318.377 0.596 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001347386548 954083127 /nfs/dbraw/zinc/08/31/27/954083127.db2.gz YQRPSXRCRRARKF-WFASDCNBSA-N 1 0 318.377 0.642 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC001347429277 954092872 /nfs/dbraw/zinc/09/28/72/954092872.db2.gz OZFCAXAAPZNNNO-CQSZACIVSA-N 1 0 311.313 0.873 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[C@H]21 ZINC001348971317 954553372 /nfs/dbraw/zinc/55/33/72/954553372.db2.gz TUHVBNVSVIDPQH-NWDGAFQWSA-N 1 0 320.349 0.309 20 5 DCBDRO CC[NH+](CC)CC[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001349870415 954917303 /nfs/dbraw/zinc/91/73/03/954917303.db2.gz UNJCGXKJNCAKNI-LBPRGKRZSA-N 1 0 324.381 0.993 20 5 DCBDRO O=c1c(Br)cn(C[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC001350007018 954963531 /nfs/dbraw/zinc/96/35/31/954963531.db2.gz RVWJVDMDIOQMBT-ZETCQYMHSA-N 1 0 318.127 0.507 20 5 DCBDRO O=[N+]([O-])c1c(N2CC([NH2+][C@H]3CCOC3)C2)nc2ccccn21 ZINC001472888685 956557486 /nfs/dbraw/zinc/55/74/86/956557486.db2.gz LJLBAJJMFDGPBO-JTQLQIEISA-N 1 0 303.322 0.810 20 5 DCBDRO CNc1c(C(=O)N[C@H](CO)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC001298752559 958702225 /nfs/dbraw/zinc/70/22/25/958702225.db2.gz VBPDBWUMWNGGLZ-NSHDSACASA-N 1 0 322.365 0.823 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@]2(C)C1 ZINC001307221636 960144762 /nfs/dbraw/zinc/14/47/62/960144762.db2.gz DGHMGZDJXWZQPI-OTYXRUKQSA-N 1 0 305.338 0.477 20 5 DCBDRO O=C(CC[NH+]1[C@H](CO)CC[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC001307880643 960160493 /nfs/dbraw/zinc/16/04/93/960160493.db2.gz GIOBHTZLSRLEJL-RYUDHWBXSA-N 1 0 323.349 0.741 20 5 DCBDRO Cc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1[N+](=O)[O-] ZINC001449805349 1014691403 /nfs/dbraw/zinc/69/14/03/1014691403.db2.gz YQZWSVWQORTGRV-SNVBAGLBSA-N 1 0 311.342 0.203 20 5 DCBDRO C[NH+](C)CCn1nccc1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001450406034 1015120479 /nfs/dbraw/zinc/12/04/79/1015120479.db2.gz FBEKTKOIUNWKEF-UHFFFAOYSA-N 1 0 319.325 0.582 20 5 DCBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001468935325 1016293423 /nfs/dbraw/zinc/29/34/23/1016293423.db2.gz QGGYDPZDXYXEJY-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO [NH3+]Cc1nccnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001472775178 1016851231 /nfs/dbraw/zinc/85/12/31/1016851231.db2.gz UVGNSEKFDMEWGD-UHFFFAOYSA-N 1 0 303.326 0.882 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CCO)C2CCCC2)c1 ZINC001473830613 1016978308 /nfs/dbraw/zinc/97/83/08/1016978308.db2.gz CSAOKJDSZYDMFJ-UONOGXRCSA-N 1 0 312.370 0.683 20 5 DCBDRO CC[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC001564312539 1012522573 /nfs/dbraw/zinc/52/25/73/1012522573.db2.gz BOQNKYVRPVQBQW-NSHDSACASA-N 1 0 310.358 0.527 20 5 DCBDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001460406888 1012904205 /nfs/dbraw/zinc/90/42/05/1012904205.db2.gz QMOZFYUPONYNAX-RAIGVLPGSA-N 1 0 312.370 0.984 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001546315173 1017333025 /nfs/dbraw/zinc/33/30/25/1017333025.db2.gz KEEPZMZBCLZTGC-UHFFFAOYSA-N 1 0 313.358 0.221 20 5 DCBDRO COc1cccc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001521788543 1017406999 /nfs/dbraw/zinc/40/69/99/1017406999.db2.gz JKFBZWZACWFJAB-OAHLLOKOSA-N 1 0 323.349 0.742 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000298177368 529772273 /nfs/dbraw/zinc/77/22/73/529772273.db2.gz WUICKLWWVROMIM-UHFFFAOYSA-N 1 0 307.354 0.154 20 5 DCBDRO COc1ccc(S(=O)(=O)NC2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000036265749 545645592 /nfs/dbraw/zinc/64/55/92/545645592.db2.gz OEWZTSJKUFVFRQ-UHFFFAOYSA-N 1 0 301.324 0.371 20 5 DCBDRO CCc1n[nH]c(C(=O)NCC[N@H+](C)CCCOC)c1[N+](=O)[O-] ZINC000173563089 198227820 /nfs/dbraw/zinc/22/78/20/198227820.db2.gz TUSLVWLVIMVUJB-UHFFFAOYSA-N 1 0 313.358 0.578 20 5 DCBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173813083 198255638 /nfs/dbraw/zinc/25/56/38/198255638.db2.gz KAUFWLWTFFPLEJ-LBPRGKRZSA-N 1 0 309.370 0.982 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174501284 198342958 /nfs/dbraw/zinc/34/29/58/198342958.db2.gz YYLKCWRNRKXQST-GFCCVEGCSA-N 1 0 309.370 0.982 20 5 DCBDRO O=C(NC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1)C1CC1 ZINC000174820293 198389250 /nfs/dbraw/zinc/38/92/50/198389250.db2.gz YPRMDXGWEUHIPV-UHFFFAOYSA-N 1 0 307.354 0.782 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178726784 198917530 /nfs/dbraw/zinc/91/75/30/198917530.db2.gz KWZGLRPXFRZNQX-PWSUYJOCSA-N 1 0 320.349 0.581 20 5 DCBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000321662017 291257547 /nfs/dbraw/zinc/25/75/47/291257547.db2.gz QYXALIOMTAJCIS-YPMHNXCESA-N 1 0 319.365 0.636 20 5 DCBDRO [NH3+]CCCCn1cc(C(=O)NCc2ccccc2[N+](=O)[O-])nn1 ZINC000566170194 291276330 /nfs/dbraw/zinc/27/63/30/291276330.db2.gz MFHCQQAUAYPRQJ-UHFFFAOYSA-N 1 0 318.337 0.855 20 5 DCBDRO CCOc1cccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000566490496 291307937 /nfs/dbraw/zinc/30/79/37/291307937.db2.gz KBMXDAYOIUOPJX-QWRGUYRKSA-N 1 0 320.349 0.742 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000006671041 181368728 /nfs/dbraw/zinc/36/87/28/181368728.db2.gz BTUAGUOTHNYLLK-UHFFFAOYSA-N 1 0 303.340 0.443 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420475474 240039246 /nfs/dbraw/zinc/03/92/46/240039246.db2.gz WZAFYYPEKQAKHN-UHFFFAOYSA-N 1 0 315.351 0.714 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000489314103 241090426 /nfs/dbraw/zinc/09/04/26/241090426.db2.gz OBPJJVSMJGDPPC-GFCCVEGCSA-N 1 0 309.370 0.898 20 5 DCBDRO [NH3+]CCCn1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)nn1 ZINC000567665986 291367251 /nfs/dbraw/zinc/36/72/51/291367251.db2.gz AFLHEQFKOFVPEZ-UHFFFAOYSA-N 1 0 316.321 0.738 20 5 DCBDRO COC[C@](C)([NH3+])CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000265065935 204375923 /nfs/dbraw/zinc/37/59/23/204375923.db2.gz UNYLCEIRWHOORY-GFCCVEGCSA-N 1 0 317.367 0.774 20 5 DCBDRO NC(=O)[C@@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000572175395 291553186 /nfs/dbraw/zinc/55/31/86/291553186.db2.gz IMBIYYLKSDWDKN-CQSZACIVSA-N 1 0 322.321 0.157 20 5 DCBDRO CC(C)(CO)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000339726677 253134715 /nfs/dbraw/zinc/13/47/15/253134715.db2.gz RJQBJYFLWCFKLV-OLZOCXBDSA-N 1 0 312.370 0.539 20 5 DCBDRO C[NH+](C)C1CN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000272891084 210281060 /nfs/dbraw/zinc/28/10/60/210281060.db2.gz WWUYPBZZNNEUAA-AWEZNQCLSA-N 1 0 318.333 0.860 20 5 DCBDRO [NH3+]CCN(Cc1ccccc1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000343828900 253708309 /nfs/dbraw/zinc/70/83/09/253708309.db2.gz MNIJUXMKTMFNEJ-UHFFFAOYSA-N 1 0 304.310 0.174 20 5 DCBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347552188 254167084 /nfs/dbraw/zinc/16/70/84/254167084.db2.gz GOKMCTRMSOOROJ-ZWNOBZJWSA-N 1 0 321.337 0.907 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347610319 254171548 /nfs/dbraw/zinc/17/15/48/254171548.db2.gz WYKXWBGXAVRINR-LLVKDONJSA-N 1 0 307.354 0.843 20 5 DCBDRO Cc1c(C(=O)N[C@H](C)CC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000349933878 254304581 /nfs/dbraw/zinc/30/45/81/254304581.db2.gz FSEHNVWWMCZOGW-SECBINFHSA-N 1 0 318.337 0.951 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351582235 254349367 /nfs/dbraw/zinc/34/93/67/254349367.db2.gz XRWKSGQBLMJKSX-GFCCVEGCSA-N 1 0 320.349 0.421 20 5 DCBDRO COC(=O)CC[C@@H]([NH3+])C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000289731621 221187212 /nfs/dbraw/zinc/18/72/12/221187212.db2.gz GQNIXJHXSKZGDU-SECBINFHSA-N 1 0 321.293 0.690 20 5 DCBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366299403 296511113 /nfs/dbraw/zinc/51/11/13/296511113.db2.gz CKBLLZHXNNWXEA-MTBHXBHISA-N 1 0 317.754 0.744 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000010017280 395685784 /nfs/dbraw/zinc/68/57/84/395685784.db2.gz SCWFEIWEJYAVTK-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108300947 395788016 /nfs/dbraw/zinc/78/80/16/395788016.db2.gz AMJCRFJXLVFHEY-LBPRGKRZSA-N 1 0 320.349 0.357 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108328538 395789313 /nfs/dbraw/zinc/78/93/13/395789313.db2.gz YPZHCHQXPBLYQT-GFCCVEGCSA-N 1 0 309.370 0.948 20 5 DCBDRO CN(CC1CC[NH+](C)CC1)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000103450177 395773060 /nfs/dbraw/zinc/77/30/60/395773060.db2.gz MSDZNGDPKLXJCS-UHFFFAOYSA-N 1 0 309.370 0.982 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209474076 395835475 /nfs/dbraw/zinc/83/54/75/395835475.db2.gz YXAPWMSORFZXIY-PWSUYJOCSA-N 1 0 311.363 0.886 20 5 DCBDRO C[N@H+](CCCO)C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000115519421 395840374 /nfs/dbraw/zinc/84/03/74/395840374.db2.gz BLBWTLOEZCOFNV-UHFFFAOYSA-N 1 0 310.358 0.250 20 5 DCBDRO COCC[NH2+]CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237163951 395905234 /nfs/dbraw/zinc/90/52/34/395905234.db2.gz NIBVKYOCTAGAPH-UHFFFAOYSA-N 1 0 322.365 0.479 20 5 DCBDRO CCCN(CCC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000276370537 395990309 /nfs/dbraw/zinc/99/03/09/395990309.db2.gz NAKBVTACOYHOOG-UHFFFAOYSA-N 1 0 324.381 0.947 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248659294 395993262 /nfs/dbraw/zinc/99/32/62/395993262.db2.gz CMMOSDAVJQTRIK-QWRGUYRKSA-N 1 0 322.365 0.585 20 5 DCBDRO COC(=O)c1cnc(NC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000276811156 396029614 /nfs/dbraw/zinc/02/96/14/396029614.db2.gz SCXOOOMDMFYVHJ-ZDUSSCGKSA-N 1 0 312.326 0.501 20 5 DCBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000067807068 396033828 /nfs/dbraw/zinc/03/38/28/396033828.db2.gz AIOXXPFGBBVUOW-SECBINFHSA-N 1 0 309.322 0.935 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261854765 396072624 /nfs/dbraw/zinc/07/26/24/396072624.db2.gz FCNVGMTWOXAJTE-NSHDSACASA-N 1 0 307.354 0.590 20 5 DCBDRO CCC[NH2+]CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261688355 396056215 /nfs/dbraw/zinc/05/62/15/396056215.db2.gz RNVLGHUHTIWYJZ-UHFFFAOYSA-N 1 0 322.365 0.831 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000156466674 396061908 /nfs/dbraw/zinc/06/19/08/396061908.db2.gz UDXRDNCEGHRQJU-SKDRFNHKSA-N 1 0 315.351 0.332 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)CNc2ccccc2[N+](=O)[O-])CCO1 ZINC000163191049 396086147 /nfs/dbraw/zinc/08/61/47/396086147.db2.gz LNPAPRYUFGWTFP-MFKMUULPSA-N 1 0 308.338 0.581 20 5 DCBDRO COC(=O)COc1ccc(CN2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000262039342 396092021 /nfs/dbraw/zinc/09/20/21/396092021.db2.gz YDANZLRKTGKPJC-UHFFFAOYSA-N 1 0 323.349 0.942 20 5 DCBDRO CO[C@H](C[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000278209864 396112781 /nfs/dbraw/zinc/11/27/81/396112781.db2.gz PAMHSKULVQZCPT-AWEZNQCLSA-N 1 0 322.365 0.607 20 5 DCBDRO CO[C@H](C[NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262523123 396150221 /nfs/dbraw/zinc/15/02/21/396150221.db2.gz OLOQOLDBJKRIHM-CYBMUJFWSA-N 1 0 308.338 0.217 20 5 DCBDRO Cc1ccc(NCCCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c([N+](=O)[O-])c1 ZINC000262521422 396150225 /nfs/dbraw/zinc/15/02/25/396150225.db2.gz NWMRQUDXDCZAST-WCQYABFASA-N 1 0 322.365 0.544 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[N@@H+]1C1CC1 ZINC000177188931 396169466 /nfs/dbraw/zinc/16/94/66/396169466.db2.gz SBTOMTORYABSDP-WDEREUQCSA-N 1 0 320.349 0.498 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000075505707 396180919 /nfs/dbraw/zinc/18/09/19/396180919.db2.gz YMZFGXKJDORJLP-GFCCVEGCSA-N 1 0 322.369 0.663 20 5 DCBDRO Nc1nc(N2CCC(C[NH+]3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000076268262 396199755 /nfs/dbraw/zinc/19/97/55/396199755.db2.gz WSTNSVSTFAVOOH-UHFFFAOYSA-N 1 0 322.369 0.516 20 5 DCBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000264063356 396253022 /nfs/dbraw/zinc/25/30/22/396253022.db2.gz MKLDRKLYMSCECM-UHFFFAOYSA-N 1 0 322.365 0.557 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184443678 396295926 /nfs/dbraw/zinc/29/59/26/396295926.db2.gz RVAWZCLVECTZPL-UHFFFAOYSA-N 1 0 310.354 0.875 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000186243960 396346378 /nfs/dbraw/zinc/34/63/78/396346378.db2.gz AWLBNFWLALFIQN-UHFFFAOYSA-N 1 0 305.342 0.795 20 5 DCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000286241969 396382926 /nfs/dbraw/zinc/38/29/26/396382926.db2.gz YYTSMEQHZZNOIC-JTQLQIEISA-N 1 0 310.358 0.074 20 5 DCBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCO1 ZINC000286422385 396394525 /nfs/dbraw/zinc/39/45/25/396394525.db2.gz GJXXGOBNAIQUKF-SNVBAGLBSA-N 1 0 311.342 0.549 20 5 DCBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269208961 396394607 /nfs/dbraw/zinc/39/46/07/396394607.db2.gz OBRJVXHHGSXGQA-ZYHUDNBSSA-N 1 0 313.741 0.929 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000287966323 396434020 /nfs/dbraw/zinc/43/40/20/396434020.db2.gz HZGUXEZGRNSRBA-UHFFFAOYSA-N 1 0 323.353 0.063 20 5 DCBDRO O=C(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Nc1ccccc1 ZINC000580887654 396507858 /nfs/dbraw/zinc/50/78/58/396507858.db2.gz CMESHPLQQIYJPA-CYBMUJFWSA-N 1 0 319.321 0.381 20 5 DCBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000288423962 396446913 /nfs/dbraw/zinc/44/69/13/396446913.db2.gz NXQUNSPWKOTDAL-NWDGAFQWSA-N 1 0 307.354 0.877 20 5 DCBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000270279607 396464006 /nfs/dbraw/zinc/46/40/06/396464006.db2.gz VFIICTBSMDPDKG-CYBMUJFWSA-N 1 0 321.381 0.982 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290850014 396474130 /nfs/dbraw/zinc/47/41/30/396474130.db2.gz XGAVCUAJHIZCFB-GZMMTYOYSA-N 1 0 305.338 0.983 20 5 DCBDRO CON(C)C(=O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000291825283 396514567 /nfs/dbraw/zinc/51/45/67/396514567.db2.gz OAKVGJRXRQICKR-UHFFFAOYSA-N 1 0 311.342 0.523 20 5 DCBDRO CCN1C[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000580064433 396485307 /nfs/dbraw/zinc/48/53/07/396485307.db2.gz CXHJKLMHYZFEOL-AAEUAGOBSA-N 1 0 323.349 0.545 20 5 DCBDRO C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000595104047 396548800 /nfs/dbraw/zinc/54/88/00/396548800.db2.gz DAISHZKFPBOACT-VHSXEESVSA-N 1 0 314.367 0.656 20 5 DCBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373110615 396567132 /nfs/dbraw/zinc/56/71/32/396567132.db2.gz IWWKJUDCJJJXFA-WDEREUQCSA-N 1 0 322.321 0.288 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595276426 396577269 /nfs/dbraw/zinc/57/72/69/396577269.db2.gz ZDXUOUNTAFDSGD-NSHDSACASA-N 1 0 322.369 0.429 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+](C2CC2)C2(CO)CCC2)c1 ZINC000595532738 396626224 /nfs/dbraw/zinc/62/62/24/396626224.db2.gz ACGZGMOUOGGCLW-CYBMUJFWSA-N 1 0 310.354 0.532 20 5 DCBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000373963031 396627147 /nfs/dbraw/zinc/62/71/47/396627147.db2.gz GQBJXWIYCRXOKY-ZIAGYGMSSA-N 1 0 321.381 0.471 20 5 DCBDRO [NH3+]CCN(Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](O)CO ZINC000595902260 396679640 /nfs/dbraw/zinc/67/96/40/396679640.db2.gz PXOIMYIUHCMLHG-LLVKDONJSA-N 1 0 303.746 0.362 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860773 396695510 /nfs/dbraw/zinc/69/55/10/396695510.db2.gz LGNNASHSUNDVQG-LSDHHAIUSA-N 1 0 319.361 0.805 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860129 396695555 /nfs/dbraw/zinc/69/55/55/396695555.db2.gz DXSONEYXJHTPMU-KBPBESRZSA-N 1 0 319.361 0.805 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000588863870 396697169 /nfs/dbraw/zinc/69/71/69/396697169.db2.gz ZDAMTKYKEBCBQG-SECBINFHSA-N 1 0 301.730 0.901 20 5 DCBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000588869991 396697291 /nfs/dbraw/zinc/69/72/91/396697291.db2.gz RZYHSWKCOIMJKQ-JTQLQIEISA-N 1 0 311.313 0.920 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000595981955 396702922 /nfs/dbraw/zinc/70/29/22/396702922.db2.gz HRGXPMGNNQXUAN-VIFPVBQESA-N 1 0 318.337 0.822 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000595984583 396703354 /nfs/dbraw/zinc/70/33/54/396703354.db2.gz WCIVTCQHHNKETA-UWVGGRQHSA-N 1 0 308.338 0.437 20 5 DCBDRO COc1ncccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000314493734 396781683 /nfs/dbraw/zinc/78/16/83/396781683.db2.gz RWFCDLLDOXEJDT-GFCCVEGCSA-N 1 0 307.310 0.346 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000304288089 396728851 /nfs/dbraw/zinc/72/88/51/396728851.db2.gz BGKHRQANEWNLJY-UKRRQHHQSA-N 1 0 323.397 0.712 20 5 DCBDRO C[C@@H]1CN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000596224277 396736535 /nfs/dbraw/zinc/73/65/35/396736535.db2.gz YOTKKUMITIQINE-SNVBAGLBSA-N 1 0 310.354 0.977 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000610808395 396766195 /nfs/dbraw/zinc/76/61/95/396766195.db2.gz HMQIZKQDYLIHQO-CYBMUJFWSA-N 1 0 319.365 0.733 20 5 DCBDRO C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C)CC1 ZINC000610864259 396773704 /nfs/dbraw/zinc/77/37/04/396773704.db2.gz IIWGLDRDFLXQRN-NSHDSACASA-N 1 0 324.385 0.821 20 5 DCBDRO CN(C)C1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000317342396 396801642 /nfs/dbraw/zinc/80/16/42/396801642.db2.gz XKBZRPCLJULFQI-CYBMUJFWSA-N 1 0 311.386 0.616 20 5 DCBDRO O=C(C[NH2+]CC1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000319980092 396812825 /nfs/dbraw/zinc/81/28/25/396812825.db2.gz DJVFZVQLYVMWSD-UHFFFAOYSA-N 1 0 319.365 0.638 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000564854916 396883486 /nfs/dbraw/zinc/88/34/86/396883486.db2.gz QCJYOAPSEQPCFG-QWRGUYRKSA-N 1 0 311.338 0.401 20 5 DCBDRO [NH3+]C[C@@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591351758 396905736 /nfs/dbraw/zinc/90/57/36/396905736.db2.gz XONXCMDJFWSIOU-NSHDSACASA-N 1 0 308.338 0.964 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591361271 396910147 /nfs/dbraw/zinc/91/01/47/396910147.db2.gz PXTQKPBDPOXLOQ-SNVBAGLBSA-N 1 0 308.342 0.169 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCCC[NH2+]C1CC1 ZINC000571747582 396983601 /nfs/dbraw/zinc/98/36/01/396983601.db2.gz IQIFYUZJLPBPKF-UHFFFAOYSA-N 1 0 300.340 0.410 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)c1 ZINC000591735379 396994580 /nfs/dbraw/zinc/99/45/80/396994580.db2.gz YPKRDPSJFZOVHI-GXTWGEPZSA-N 1 0 309.370 0.226 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccn3ccnc3c2)c1 ZINC000591754398 396997140 /nfs/dbraw/zinc/99/71/40/396997140.db2.gz IYLVHRZAQYSCDT-ZDUSSCGKSA-N 1 0 316.321 0.590 20 5 DCBDRO COCC1(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000591768685 397001421 /nfs/dbraw/zinc/00/14/21/397001421.db2.gz YMJRIUXRNYZZSW-CYBMUJFWSA-N 1 0 312.370 0.949 20 5 DCBDRO CC(C)(C(=O)N[C@H]1CC12CC[NH2+]CC2)n1cc([N+](=O)[O-])cn1 ZINC000591685959 396977669 /nfs/dbraw/zinc/97/76/69/396977669.db2.gz DQDZYRUVEVAQTO-NSHDSACASA-N 1 0 307.354 0.785 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC000592130218 397102048 /nfs/dbraw/zinc/10/20/48/397102048.db2.gz BIGMDIJAJRYEOM-JTQLQIEISA-N 1 0 301.297 0.817 20 5 DCBDRO O=C(C[C@H]1C[NH2+]CCO1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000572997738 397122773 /nfs/dbraw/zinc/12/27/73/397122773.db2.gz LPPKHOQUWNHBAI-ZDUSSCGKSA-N 1 0 309.322 0.468 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000592284849 397141567 /nfs/dbraw/zinc/14/15/67/397141567.db2.gz ZWGYLCBOQGENMS-UHFFFAOYSA-N 1 0 320.349 0.501 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000592381549 397163426 /nfs/dbraw/zinc/16/34/26/397163426.db2.gz UFUQPYIRGIWRKB-UWVGGRQHSA-N 1 0 312.351 0.362 20 5 DCBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000592169788 397112927 /nfs/dbraw/zinc/11/29/27/397112927.db2.gz RZSIPOCWZCQNFY-UHFFFAOYSA-N 1 0 304.306 0.769 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000592477456 397187107 /nfs/dbraw/zinc/18/71/07/397187107.db2.gz WUELRSCUGUGESU-BXUZGUMPSA-N 1 0 323.349 0.938 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000592490522 397191915 /nfs/dbraw/zinc/19/19/15/397191915.db2.gz YWHDMUAPNAKFBU-CQSZACIVSA-N 1 0 323.349 0.811 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555575 397213328 /nfs/dbraw/zinc/21/33/28/397213328.db2.gz ZVKXCYHYOODPME-VXGBXAGGSA-N 1 0 322.369 0.425 20 5 DCBDRO Cc1ccc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1[N+](=O)[O-] ZINC000598715097 397283717 /nfs/dbraw/zinc/28/37/17/397283717.db2.gz MYFAQGIJSSBADX-IAZYJMLFSA-N 1 0 311.363 0.708 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)C2CCCCC2)c1 ZINC000386388351 397287883 /nfs/dbraw/zinc/28/78/83/397287883.db2.gz STUNWFMBJGVFKT-ZIAGYGMSSA-N 1 0 312.370 0.683 20 5 DCBDRO COc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000386878165 397290986 /nfs/dbraw/zinc/29/09/86/397290986.db2.gz DZJJIJSVMYHWMM-CYBMUJFWSA-N 1 0 306.322 0.951 20 5 DCBDRO O=C(NC[C@H]1CCC[NH2+]C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598916473 397307509 /nfs/dbraw/zinc/30/75/09/397307509.db2.gz ZJWHDGUGSDCLGP-JTQLQIEISA-N 1 0 306.322 0.649 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602125906 397310963 /nfs/dbraw/zinc/31/09/63/397310963.db2.gz SYYRSIXKRYHGAQ-CYBMUJFWSA-N 1 0 307.354 0.924 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000577443597 397332221 /nfs/dbraw/zinc/33/22/21/397332221.db2.gz UIXZEVAABCBQPT-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098871 397335636 /nfs/dbraw/zinc/33/56/36/397335636.db2.gz ZSYDUOUFZXTEBM-RKDXNWHRSA-N 1 0 317.371 0.219 20 5 DCBDRO Cc1ccc(S(=O)(=O)N(C)CCOCC[NH3+])cc1[N+](=O)[O-] ZINC000599110930 397341457 /nfs/dbraw/zinc/34/14/57/397341457.db2.gz HIUHKOXDFIMBPO-UHFFFAOYSA-N 1 0 317.367 0.499 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000599131334 397345348 /nfs/dbraw/zinc/34/53/48/397345348.db2.gz UVSKPYQZVHPGEH-JTQLQIEISA-N 1 0 309.326 0.447 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000577999501 397377772 /nfs/dbraw/zinc/37/77/72/397377772.db2.gz NKGYCDFHVPYANT-LBPRGKRZSA-N 1 0 306.322 0.161 20 5 DCBDRO CN(CC[NH+]1CCCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000593884576 397466754 /nfs/dbraw/zinc/46/67/54/397466754.db2.gz RRWHLUTYABLJRQ-UHFFFAOYSA-N 1 0 322.365 0.701 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000602782888 397483602 /nfs/dbraw/zinc/48/36/02/397483602.db2.gz BKKABEKCNYBBDM-LBPRGKRZSA-N 1 0 322.369 0.589 20 5 DCBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000593914600 397478141 /nfs/dbraw/zinc/47/81/41/397478141.db2.gz KZVHYVKYLBZBBB-NHYWBVRUSA-N 1 0 320.349 0.344 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000578910968 397501946 /nfs/dbraw/zinc/50/19/46/397501946.db2.gz YUKYIJDRYUMULD-MRXNPFEDSA-N 1 0 319.361 0.710 20 5 DCBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC[NH+](C)CC1 ZINC000599985306 397557892 /nfs/dbraw/zinc/55/78/92/397557892.db2.gz BWHDMEXRFZYAPK-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](CO)C1 ZINC000602904100 397519273 /nfs/dbraw/zinc/51/92/73/397519273.db2.gz ISVICUMOEUFGIF-AWEZNQCLSA-N 1 0 322.365 0.532 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2cccnc2[N+](=O)[O-])C1 ZINC000608885515 397758382 /nfs/dbraw/zinc/75/83/82/397758382.db2.gz WUPGTYCEASDFLE-LLVKDONJSA-N 1 0 307.354 0.989 20 5 DCBDRO COc1cccc(N2CCC[C@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-] ZINC000261950599 286456712 /nfs/dbraw/zinc/45/67/12/286456712.db2.gz WHPQCXANTRNKAG-NSHDSACASA-N 1 0 322.365 0.895 20 5 DCBDRO CC(C)C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[NH+](C)C ZINC000073527660 158055035 /nfs/dbraw/zinc/05/50/35/158055035.db2.gz OEUIRFPWMVCFLT-CYBMUJFWSA-N 1 0 324.381 0.849 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000122898015 158225396 /nfs/dbraw/zinc/22/53/96/158225396.db2.gz FVCCUJNGIOOHIS-SECBINFHSA-N 1 0 315.351 0.634 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000132932873 158315666 /nfs/dbraw/zinc/31/56/66/158315666.db2.gz WBRQHWWRBGMILR-CQSZACIVSA-N 1 0 321.337 0.556 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000165632278 158364621 /nfs/dbraw/zinc/36/46/21/158364621.db2.gz CBPIQSROZWPOPB-NSHDSACASA-N 1 0 315.351 0.251 20 5 DCBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261888470 158750244 /nfs/dbraw/zinc/75/02/44/158750244.db2.gz NIPPCTJAKWDBPX-CYBMUJFWSA-N 1 0 322.340 0.854 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000318437070 159006694 /nfs/dbraw/zinc/00/66/94/159006694.db2.gz XTVMZIVLIRETQZ-JTQLQIEISA-N 1 0 305.338 0.882 20 5 DCBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151656007 287035184 /nfs/dbraw/zinc/03/51/84/287035184.db2.gz CSRGCLYZLAMIJS-LBPRGKRZSA-N 1 0 324.385 0.822 20 5 DCBDRO COC(=O)C[C@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246453900 287083480 /nfs/dbraw/zinc/08/34/80/287083480.db2.gz FCLGNOYTVILFRD-ZYHUDNBSSA-N 1 0 312.326 0.180 20 5 DCBDRO COC[C@]1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357269004 287204907 /nfs/dbraw/zinc/20/49/07/287204907.db2.gz IFGQMDNFKDBBBF-OAHLLOKOSA-N 1 0 323.349 0.858 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000418946832 287256425 /nfs/dbraw/zinc/25/64/25/287256425.db2.gz OVSYVRYGOUUTPI-UHFFFAOYSA-N 1 0 324.337 0.073 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)c1ccccc1[N+](=O)[O-] ZINC000419147754 287268566 /nfs/dbraw/zinc/26/85/66/287268566.db2.gz JRYJKZDKZVHNJR-SNVBAGLBSA-N 1 0 320.349 0.770 20 5 DCBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1[NH3+] ZINC000332003394 415209904 /nfs/dbraw/zinc/20/99/04/415209904.db2.gz PQUAHXHXHUROGT-SCZZXKLOSA-N 1 0 307.306 0.785 20 5 DCBDRO C[NH+](C)CC1(CNC(=O)Cn2cnc([N+](=O)[O-])n2)CCCC1 ZINC000352609513 415247885 /nfs/dbraw/zinc/24/78/85/415247885.db2.gz IKDUPVSQSPUBEW-UHFFFAOYSA-N 1 0 310.358 0.425 20 5 DCBDRO C[N@H+](CCC(N)=O)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000353192261 415468500 /nfs/dbraw/zinc/46/85/00/415468500.db2.gz LCFIDBOGWIYSRY-GFCCVEGCSA-N 1 0 306.322 0.507 20 5 DCBDRO CCn1cc(S(=O)(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c([N+](=O)[O-])n1 ZINC000353498255 415566472 /nfs/dbraw/zinc/56/64/72/415566472.db2.gz ZCCIGTIYWSJXKA-RKDXNWHRSA-N 1 0 317.371 0.182 20 5 DCBDRO [NH3+]C1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000353760001 415647110 /nfs/dbraw/zinc/64/71/10/415647110.db2.gz PAKLENLSUXKRDZ-UHFFFAOYSA-N 1 0 305.294 0.918 20 5 DCBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000343383241 415582374 /nfs/dbraw/zinc/58/23/74/415582374.db2.gz HQZINXBREVMBCV-KGLIPLIRSA-N 1 0 312.370 0.947 20 5 DCBDRO CN(CC[NH+](C)C)S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000107049315 415655450 /nfs/dbraw/zinc/65/54/50/415655450.db2.gz OHVICGQTDUDJTQ-UHFFFAOYSA-N 1 0 301.368 0.918 20 5 DCBDRO CO[C@@H]1C[C@H](CN(C)c2cccc(C(N)=O)c2[N+](=O)[O-])[N@H+](C)C1 ZINC000343876908 415761475 /nfs/dbraw/zinc/76/14/75/415761475.db2.gz WGNZMXOIPLWWSM-GHMZBOCLSA-N 1 0 322.365 0.849 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000127852540 415892030 /nfs/dbraw/zinc/89/20/30/415892030.db2.gz BVADPJGUAHOFDG-WDEREUQCSA-N 1 0 307.354 0.885 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000124902439 415852615 /nfs/dbraw/zinc/85/26/15/415852615.db2.gz CJMVGKHRAUGJFG-SNVBAGLBSA-N 1 0 316.321 0.609 20 5 DCBDRO COC[C@](C)([NH3+])CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345158084 416055387 /nfs/dbraw/zinc/05/53/87/416055387.db2.gz DDBRAMXMGVWKTM-GFCCVEGCSA-N 1 0 317.367 0.774 20 5 DCBDRO C[N@H+](CCc1cnccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357046102 416025087 /nfs/dbraw/zinc/02/50/87/416025087.db2.gz ULZJQVGDHMOYPY-ZDUSSCGKSA-N 1 0 306.326 0.117 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000358041191 416175406 /nfs/dbraw/zinc/17/54/06/416175406.db2.gz GCXVXGQZLRNLDX-HNNXBMFYSA-N 1 0 318.333 0.873 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CCC[C@@H](OCCO)C1 ZINC000179215037 416184908 /nfs/dbraw/zinc/18/49/08/416184908.db2.gz CISKMQLAVQGWJN-CYBMUJFWSA-N 1 0 311.338 0.230 20 5 DCBDRO CC[NH+](CC)CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000183709889 416248481 /nfs/dbraw/zinc/24/84/81/416248481.db2.gz GCOYXVHSUNVUHU-UHFFFAOYSA-N 1 0 316.383 0.996 20 5 DCBDRO NS(=O)(=O)c1cccc(NCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000183728527 416248764 /nfs/dbraw/zinc/24/87/64/416248764.db2.gz JRGKMNDRBYUSFL-UHFFFAOYSA-N 1 0 314.367 0.750 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358421061 416235985 /nfs/dbraw/zinc/23/59/85/416235985.db2.gz CQVGFAILECXHNF-CQSZACIVSA-N 1 0 324.337 0.792 20 5 DCBDRO CO[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000359246698 416315609 /nfs/dbraw/zinc/31/56/09/416315609.db2.gz SXVVYFBCHIEKFN-PWSUYJOCSA-N 1 0 311.342 0.146 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359313186 416321060 /nfs/dbraw/zinc/32/10/60/416321060.db2.gz UKRFIWDRJKZPDJ-VXGBXAGGSA-N 1 0 304.350 0.993 20 5 DCBDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000352112547 416289184 /nfs/dbraw/zinc/28/91/84/416289184.db2.gz UFRVTVVYEPZTNG-OAHLLOKOSA-N 1 0 309.366 0.956 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358889031 416289431 /nfs/dbraw/zinc/28/94/31/416289431.db2.gz SDXLDNGIXGKTIK-UHFFFAOYSA-N 1 0 307.354 0.784 20 5 DCBDRO COc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000415445572 416343743 /nfs/dbraw/zinc/34/37/43/416343743.db2.gz SIVAULQDXLSJHE-JTQLQIEISA-N 1 0 310.310 0.713 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000415520303 416346307 /nfs/dbraw/zinc/34/63/07/416346307.db2.gz QWMWQJCKLQYSGC-UHFFFAOYSA-N 1 0 324.337 0.658 20 5 DCBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415626797 416350193 /nfs/dbraw/zinc/35/01/93/416350193.db2.gz RIGFOTZRIXDFED-PELKAZGASA-N 1 0 324.312 0.787 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000416496116 416372344 /nfs/dbraw/zinc/37/23/44/416372344.db2.gz NVESDHZHPGRSBB-LBPRGKRZSA-N 1 0 313.379 0.966 20 5 DCBDRO O=C(NCC1C[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418491881 416387422 /nfs/dbraw/zinc/38/74/22/416387422.db2.gz SXYATJKQZLBEDE-UHFFFAOYSA-N 1 0 319.365 0.646 20 5 DCBDRO [NH3+][C@H](CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418868079 416392289 /nfs/dbraw/zinc/39/22/89/416392289.db2.gz MZSOWPBXWZTICQ-CYBMUJFWSA-N 1 0 320.349 0.107 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000419761647 416409687 /nfs/dbraw/zinc/40/96/87/416409687.db2.gz QKOJWBQMDHMSAK-GFCCVEGCSA-N 1 0 320.349 0.340 20 5 DCBDRO CN(CC[NH3+])C(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423103377 416467032 /nfs/dbraw/zinc/46/70/32/416467032.db2.gz PGVHYGCBSBNRFW-UHFFFAOYSA-N 1 0 320.349 0.503 20 5 DCBDRO COC(=O)C[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423285783 416486025 /nfs/dbraw/zinc/48/60/25/416486025.db2.gz YRHABSWAQLTIKQ-KOLCDFICSA-N 1 0 309.322 0.971 20 5 DCBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000532677772 416450704 /nfs/dbraw/zinc/45/07/04/416450704.db2.gz RTZBGQYBDNWXMO-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCOC[C@@H]2c2ccco2)c1 ZINC000361944072 416528448 /nfs/dbraw/zinc/52/84/48/416528448.db2.gz OBXOKDYBDMGPAM-CHWSQXEVSA-N 1 0 322.321 0.819 20 5 DCBDRO [NH3+][C@H](C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000423723567 416549449 /nfs/dbraw/zinc/54/94/49/416549449.db2.gz LRSKHKLMJICUOJ-LBPRGKRZSA-N 1 0 319.321 1.164 20 5 DCBDRO CC[NH+](CC)CCCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000594209058 416557877 /nfs/dbraw/zinc/55/78/77/416557877.db2.gz JZCWMNRAYBMTDN-UHFFFAOYSA-N 1 0 309.370 1.493 20 5 DCBDRO CNc1nccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000594236376 416558490 /nfs/dbraw/zinc/55/84/90/416558490.db2.gz NDMKCWYKDNORAR-QWRGUYRKSA-N 1 0 319.365 1.388 20 5 DCBDRO Nc1nccc(C(=O)NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000597589058 416596038 /nfs/dbraw/zinc/59/60/38/416596038.db2.gz SPXLKTYQXXXVLZ-UHFFFAOYSA-N 1 0 305.338 0.930 20 5 DCBDRO C[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000424013915 416604918 /nfs/dbraw/zinc/60/49/18/416604918.db2.gz LAXQMORQUAFTLL-GHMZBOCLSA-N 1 0 309.370 0.970 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000440827816 416649579 /nfs/dbraw/zinc/64/95/79/416649579.db2.gz ANUYGVKIPKDOON-UHFFFAOYSA-N 1 0 317.367 0.418 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000514744703 416674596 /nfs/dbraw/zinc/67/45/96/416674596.db2.gz NYKWBSPCJPRFJS-SNVBAGLBSA-N 1 0 323.353 0.094 20 5 DCBDRO CC(C)[NH+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000426980712 416791202 /nfs/dbraw/zinc/79/12/02/416791202.db2.gz LWVZROWATOBVHV-UHFFFAOYSA-N 1 0 310.358 0.527 20 5 DCBDRO C[NH2+]C[C@](C)(O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381889 416803002 /nfs/dbraw/zinc/80/30/02/416803002.db2.gz PBPVYCYBCDCLDA-RISCZKNCSA-N 1 0 309.370 0.446 20 5 DCBDRO CC(C)([NH3+])c1nocc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000517392027 416805789 /nfs/dbraw/zinc/80/57/89/416805789.db2.gz ZOUPQAMMZOPYMQ-UHFFFAOYSA-N 1 0 308.298 0.403 20 5 DCBDRO C[NH2+]CCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000428112446 416876297 /nfs/dbraw/zinc/87/62/97/416876297.db2.gz LNXURXVUEXPXKS-UHFFFAOYSA-N 1 0 308.338 0.440 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])n1 ZINC000445548782 416891834 /nfs/dbraw/zinc/89/18/34/416891834.db2.gz MBIYIRLWFHWGGK-IUCAKERBSA-N 1 0 317.371 0.359 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@H](C)[NH3+] ZINC000429041044 416943899 /nfs/dbraw/zinc/94/38/99/416943899.db2.gz NYHXADYEXVWTHL-WPRPVWTQSA-N 1 0 312.374 0.681 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565239888 416955298 /nfs/dbraw/zinc/95/52/98/416955298.db2.gz NMWBLBPILRZDFH-RYUDHWBXSA-N 1 0 324.768 0.992 20 5 DCBDRO C[NH2+][C@@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430614690 417051398 /nfs/dbraw/zinc/05/13/98/417051398.db2.gz ZXJHUIMMZCCAEH-BXUZGUMPSA-N 1 0 304.350 0.994 20 5 DCBDRO Cc1nc(N2CCN(c3ccc(N)nc3)CC2)ncc1[N+](=O)[O-] ZINC000295587679 225019937 /nfs/dbraw/zinc/01/99/37/225019937.db2.gz SOIAXMIYWWCAIU-UHFFFAOYSA-N 1 0 315.337 0.997 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N(C)CCC[NH3+] ZINC000568488036 417141349 /nfs/dbraw/zinc/14/13/49/417141349.db2.gz QNQWZGOJIHYGPA-UHFFFAOYSA-N 1 0 308.338 0.957 20 5 DCBDRO C[C@H]1CC[N@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000525804194 417151413 /nfs/dbraw/zinc/15/14/13/417151413.db2.gz LROCQNOPEVTFDA-NSHDSACASA-N 1 0 308.338 0.215 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000568899156 417192766 /nfs/dbraw/zinc/19/27/66/417192766.db2.gz PAYVEDXEPNOVLH-LLVKDONJSA-N 1 0 319.365 1.342 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000449697871 417167985 /nfs/dbraw/zinc/16/79/85/417167985.db2.gz MJPNAUDKYXBHFK-SNVBAGLBSA-N 1 0 312.757 0.882 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000414659562 417292738 /nfs/dbraw/zinc/29/27/38/417292738.db2.gz TURHZKNZDUAEDR-JTQLQIEISA-N 1 0 310.310 0.713 20 5 DCBDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415286496 417356359 /nfs/dbraw/zinc/35/63/59/417356359.db2.gz UAOWQYWBNXHCTA-NSHDSACASA-N 1 0 320.349 0.991 20 5 DCBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(=O)N(C)C ZINC000570201923 417324999 /nfs/dbraw/zinc/32/49/99/417324999.db2.gz NMAIOLABFIVNSE-PWSUYJOCSA-N 1 0 311.338 0.401 20 5 DCBDRO COc1cc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000570223788 417326768 /nfs/dbraw/zinc/32/67/68/417326768.db2.gz FKQNIJCKVZAMBK-RYUDHWBXSA-N 1 0 309.322 0.350 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415320308 417365708 /nfs/dbraw/zinc/36/57/08/417365708.db2.gz BDRDBVDLPJYFSS-SNVBAGLBSA-N 1 0 306.322 0.628 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415387137 417378171 /nfs/dbraw/zinc/37/81/71/417378171.db2.gz XLWSMUBYAVGNFD-NSHDSACASA-N 1 0 306.322 0.710 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415387091 417378856 /nfs/dbraw/zinc/37/88/56/417378856.db2.gz XGMNSNIYOPUURB-SNVBAGLBSA-N 1 0 306.322 0.710 20 5 DCBDRO Cn1c(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452376954 417478074 /nfs/dbraw/zinc/47/80/74/417478074.db2.gz PPSWTTNWDYYUBS-NSHDSACASA-N 1 0 310.354 0.510 20 5 DCBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccncc1[N+](=O)[O-] ZINC000455032280 417590613 /nfs/dbraw/zinc/59/06/13/417590613.db2.gz BIJOTVDWCHJCBO-LLVKDONJSA-N 1 0 323.353 0.380 20 5 DCBDRO CC(=O)NCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576224949 417593177 /nfs/dbraw/zinc/59/31/77/417593177.db2.gz MCDLFXJREXHAAN-ZDUSSCGKSA-N 1 0 311.338 0.402 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000531155715 417608925 /nfs/dbraw/zinc/60/89/25/417608925.db2.gz KPHYCVQXLLTXFX-LBPRGKRZSA-N 1 0 322.365 0.728 20 5 DCBDRO COc1cccc(C(=O)N2CCCO[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000580549895 417713218 /nfs/dbraw/zinc/71/32/18/417713218.db2.gz QQTDNVQZGLTDLO-SNVBAGLBSA-N 1 0 309.322 0.793 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444201818 287418953 /nfs/dbraw/zinc/41/89/53/287418953.db2.gz ZNBFJUPRBVHATR-CYBMUJFWSA-N 1 0 318.333 0.241 20 5 DCBDRO Cc1nc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cs1 ZINC000226386270 261153302 /nfs/dbraw/zinc/15/33/02/261153302.db2.gz LTSHEDPQCBDQFN-GFCCVEGCSA-N 1 0 311.367 0.749 20 5 DCBDRO CCC(CC)[C@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000230565706 261154164 /nfs/dbraw/zinc/15/41/64/261154164.db2.gz FKELXRIIZWAGOZ-QWHCGFSZSA-N 1 0 300.359 0.539 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000237300759 261159652 /nfs/dbraw/zinc/15/96/52/261159652.db2.gz BLHRNQCURCHCAQ-GHMZBOCLSA-N 1 0 322.365 0.685 20 5 DCBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)CN1CCOCC1 ZINC000412085089 262181619 /nfs/dbraw/zinc/18/16/19/262181619.db2.gz CYAXUYSEGKTNNG-UHFFFAOYSA-N 1 0 311.386 0.834 20 5 DCBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417904721 262264664 /nfs/dbraw/zinc/26/46/64/262264664.db2.gz AIIZIPKRQCQKQI-LBPRGKRZSA-N 1 0 324.385 0.869 20 5 DCBDRO Cc1c(CNC(=O)N2CCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000418079920 262269098 /nfs/dbraw/zinc/26/90/98/262269098.db2.gz LPMFCIDWCGREBQ-LBPRGKRZSA-N 1 0 308.338 0.772 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000418927452 262299080 /nfs/dbraw/zinc/29/90/80/262299080.db2.gz WZQQTENLIWOYSK-GFCCVEGCSA-N 1 0 320.349 0.074 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000419152588 262313665 /nfs/dbraw/zinc/31/36/65/262313665.db2.gz ORERAWCHDRILCO-MNOVXSKESA-N 1 0 320.349 0.592 20 5 DCBDRO COC(=O)Cc1ccc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420284367 262368836 /nfs/dbraw/zinc/36/88/36/262368836.db2.gz YGRKPCUFNQOPKE-GFCCVEGCSA-N 1 0 322.365 0.626 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000363886165 271207230 /nfs/dbraw/zinc/20/72/30/271207230.db2.gz JQWPSGGFRRFUFX-CYBMUJFWSA-N 1 0 310.354 0.655 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418508424 271247528 /nfs/dbraw/zinc/24/75/28/271247528.db2.gz DVWCNCGGBHBYSB-LLVKDONJSA-N 1 0 307.354 0.774 20 5 DCBDRO [NH3+]CCNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000419829632 271330579 /nfs/dbraw/zinc/33/05/79/271330579.db2.gz DVTZKZMLVDJDEF-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO C[C@@H](CC[NH3+])NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420430817 271367935 /nfs/dbraw/zinc/36/79/35/271367935.db2.gz WGKSTPIWIJVHCW-JTQLQIEISA-N 1 0 301.368 0.794 20 5 DCBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000420440746 271369533 /nfs/dbraw/zinc/36/95/33/271369533.db2.gz NVEREEUGNSTDAC-SSDOTTSWSA-N 1 0 321.330 0.758 20 5 DCBDRO [NH3+]C[C@@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420442057 271370571 /nfs/dbraw/zinc/37/05/71/271370571.db2.gz DMBMTYQWXWVXKZ-CYBMUJFWSA-N 1 0 313.379 0.794 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000449694858 271858755 /nfs/dbraw/zinc/85/87/55/271858755.db2.gz HKSWZICYKDGDTO-JTQLQIEISA-N 1 0 318.337 0.105 20 5 DCBDRO NS(=O)(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488721536 272048542 /nfs/dbraw/zinc/04/85/42/272048542.db2.gz MKTIJOUUIZNEIH-UHFFFAOYSA-N 1 0 317.371 0.107 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000492561459 272134988 /nfs/dbraw/zinc/13/49/88/272134988.db2.gz KGSNVYBKOOIFJX-LLYBFZRZSA-N 1 0 305.334 0.791 20 5 DCBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)[C@@H]1COC[C@H]1O ZINC000512231037 272397638 /nfs/dbraw/zinc/39/76/38/272397638.db2.gz XSEHSIRKXSGZFL-ZWKOPEQDSA-N 1 0 309.322 0.613 20 5 DCBDRO CC(C)(NC(=O)c1cn(CC[NH3+])nn1)c1ccc([N+](=O)[O-])cc1 ZINC000518219149 272481974 /nfs/dbraw/zinc/48/19/74/272481974.db2.gz YSSDLELSUNUGAU-UHFFFAOYSA-N 1 0 318.337 0.810 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000106479220 276199288 /nfs/dbraw/zinc/19/92/88/276199288.db2.gz BBWMYUFIJRVTCU-LLVKDONJSA-N 1 0 321.385 0.183 20 5 DCBDRO C[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)NCC[NH+](C)C ZINC000564353525 288740006 /nfs/dbraw/zinc/74/00/06/288740006.db2.gz CZYHSZNRSKQRKS-LLVKDONJSA-N 1 0 322.365 0.320 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000565434361 288852520 /nfs/dbraw/zinc/85/25/20/288852520.db2.gz ZGAJTJYXMINRJZ-QWRGUYRKSA-N 1 0 306.322 0.352 20 5 DCBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000374631915 293698482 /nfs/dbraw/zinc/69/84/82/293698482.db2.gz RLTLMGHZMYINKP-HBNTYKKESA-N 1 0 307.354 0.836 20 5 DCBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000580833500 332910940 /nfs/dbraw/zinc/91/09/40/332910940.db2.gz ROWXUBJLBAFKHX-ZDUSSCGKSA-N 1 0 313.379 0.761 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000570464696 332759901 /nfs/dbraw/zinc/75/99/01/332759901.db2.gz TYOPFNGINVMEDN-GHMZBOCLSA-N 1 0 318.333 0.287 20 5 DCBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000571209975 333684544 /nfs/dbraw/zinc/68/45/44/333684544.db2.gz CJKHUZXFTLKUKX-SWKMLJDHSA-N 1 0 320.349 0.389 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000580368956 336260942 /nfs/dbraw/zinc/26/09/42/336260942.db2.gz PBGSMWHRXCMHRW-OAHLLOKOSA-N 1 0 320.349 0.364 20 5 DCBDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000583083034 337237442 /nfs/dbraw/zinc/23/74/42/337237442.db2.gz IKWSXQGAGBPYDL-CMPLNLGQSA-N 1 0 307.354 0.953 20 5 DCBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000583323491 337315872 /nfs/dbraw/zinc/31/58/72/337315872.db2.gz SAJGEEBPSFDNFS-ZDUSSCGKSA-N 1 0 322.365 0.651 20 5 DCBDRO CC(C)([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236778541 519293045 /nfs/dbraw/zinc/29/30/45/519293045.db2.gz DJPZWFVXBHZGAV-UHFFFAOYSA-N 1 0 320.349 0.617 20 5 DCBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000268041777 520292882 /nfs/dbraw/zinc/29/28/82/520292882.db2.gz YEEXRWDHOCLMHV-JTQLQIEISA-N 1 0 313.358 0.713 20 5 DCBDRO C[NH+](C)CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000131088116 521782942 /nfs/dbraw/zinc/78/29/42/521782942.db2.gz KDSOQKBXQVROBI-UHFFFAOYSA-N 1 0 304.306 0.728 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000237774027 526315377 /nfs/dbraw/zinc/31/53/77/526315377.db2.gz YYUGTHLNOXBLMN-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO O=[N+]([O-])c1cnc2ccc(NCC3CC[NH+](CCO)CC3)nn21 ZINC000159420659 527412309 /nfs/dbraw/zinc/41/23/09/527412309.db2.gz CCUQCDHJAAESND-UHFFFAOYSA-N 1 0 320.353 0.754 20 5 DCBDRO NC(=O)c1cccc(NCC[N@@H+]2CCCOCC2)c1[N+](=O)[O-] ZINC000342964398 546124643 /nfs/dbraw/zinc/12/46/43/546124643.db2.gz XEODPQQXECYBOY-UHFFFAOYSA-N 1 0 308.338 0.828 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000158647255 658538683 /nfs/dbraw/zinc/53/86/83/658538683.db2.gz NAKFWKGXXSENEO-AAEUAGOBSA-N 1 0 314.363 0.795 20 5 DCBDRO Cc1ncsc1CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063966 658817775 /nfs/dbraw/zinc/81/77/75/658817775.db2.gz RFMZTXBZGWCGFW-WRWGMCAJSA-N 1 0 324.406 0.896 20 5 DCBDRO Cc1ncccc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776090 659556763 /nfs/dbraw/zinc/55/67/63/659556763.db2.gz XCTOTJZVXWLYMD-QMIVOQANSA-N 1 0 316.361 0.602 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000893754074 661404655 /nfs/dbraw/zinc/40/46/55/661404655.db2.gz VVKXTFQLLBBMNU-OLZOCXBDSA-N 1 0 322.369 0.669 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000841195798 661951149 /nfs/dbraw/zinc/95/11/49/661951149.db2.gz DCSYMCBAMHXTET-ZETCQYMHSA-N 1 0 312.301 0.692 20 5 DCBDRO CN(CC[N@H+](C)CCO)c1cc(F)c([N+](=O)[O-])cc1CO ZINC000894590561 661985174 /nfs/dbraw/zinc/98/51/74/661985174.db2.gz HUERSYSHOFEHKJ-UHFFFAOYSA-N 1 0 301.318 0.587 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983650920 661998244 /nfs/dbraw/zinc/99/82/44/661998244.db2.gz YIZCDSLQXJCPCR-AAVRWANBSA-N 1 0 304.350 0.731 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1cccnc1 ZINC001029305175 662098708 /nfs/dbraw/zinc/09/87/08/662098708.db2.gz UPVFNRLMMMKRIA-LXTVHRRPSA-N 1 0 316.361 0.922 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC000896580130 662295215 /nfs/dbraw/zinc/29/52/15/662295215.db2.gz KOFGWRVIINSSHR-BXUZGUMPSA-N 1 0 306.366 0.959 20 5 DCBDRO C[C@H]([NH2+]C[C@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285311 663451201 /nfs/dbraw/zinc/45/12/01/663451201.db2.gz IRTAEYJUVVYHFS-WFASDCNBSA-N 1 0 309.366 0.939 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903832029 663488093 /nfs/dbraw/zinc/48/80/93/663488093.db2.gz ZACSNISLRAQPKK-GFCCVEGCSA-N 1 0 322.365 0.844 20 5 DCBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C12CC(C1)C[NH2+]2 ZINC000911973158 664128831 /nfs/dbraw/zinc/12/88/31/664128831.db2.gz FVZCLJVTBCTAFU-UHFFFAOYSA-N 1 0 316.361 0.995 20 5 DCBDRO Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997773245 665336708 /nfs/dbraw/zinc/33/67/08/665336708.db2.gz VIQHYZZKRYWJTA-ZIAGYGMSSA-N 1 0 322.365 0.976 20 5 DCBDRO Cc1c(C[NH2+]C[C@]2(CO)COCCN2C)cccc1[N+](=O)[O-] ZINC000922533828 666476656 /nfs/dbraw/zinc/47/66/56/666476656.db2.gz FFGPTQUEQADION-HNNXBMFYSA-N 1 0 309.366 0.686 20 5 DCBDRO Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000996439521 666786109 /nfs/dbraw/zinc/78/61/09/666786109.db2.gz DVPDKBCFMDQGDS-ZIAGYGMSSA-N 1 0 319.365 0.531 20 5 DCBDRO Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1C ZINC000996428701 666790515 /nfs/dbraw/zinc/79/05/15/666790515.db2.gz GLMHJONOLYFGME-ZIAGYGMSSA-N 1 0 321.381 0.474 20 5 DCBDRO Cn1nccc1CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428492 666790584 /nfs/dbraw/zinc/79/05/84/666790584.db2.gz FVMAHMLHJKUCSD-ZIAGYGMSSA-N 1 0 321.381 0.208 20 5 DCBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644145 667089660 /nfs/dbraw/zinc/08/96/60/667089660.db2.gz CYPSUGIUXYVQPR-CNVPUSNMSA-N 1 0 309.326 0.252 20 5 DCBDRO CN(C(=O)C(N)=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001005913607 667460724 /nfs/dbraw/zinc/46/07/24/667460724.db2.gz HYOXVGIHTDTSIQ-UHFFFAOYSA-N 1 0 320.349 0.503 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000923361400 667519454 /nfs/dbraw/zinc/51/94/54/667519454.db2.gz QLPHEKZUZYCUHP-ZLDLUXBVSA-N 1 0 307.350 0.628 20 5 DCBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(O)(COCCO)CC2)cc1 ZINC000886736719 667793897 /nfs/dbraw/zinc/79/38/97/667793897.db2.gz IIDSCZXOZGJNAT-UHFFFAOYSA-N 1 0 310.350 0.931 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC1(C)C ZINC000871154128 667797855 /nfs/dbraw/zinc/79/78/55/667797855.db2.gz ZJBJIZRWPCBBPR-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000743261104 667805577 /nfs/dbraw/zinc/80/55/77/667805577.db2.gz JSFQQWLIQUYPEK-KGLIPLIRSA-N 1 0 324.312 0.615 20 5 DCBDRO Cc1nn(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000872731447 667934489 /nfs/dbraw/zinc/93/44/89/667934489.db2.gz GBOQBVLCRKDWIS-UHFFFAOYSA-N 1 0 322.413 0.769 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764664 667993413 /nfs/dbraw/zinc/99/34/13/667993413.db2.gz SUPCNPSILUWLSP-KBPBESRZSA-N 1 0 320.349 0.661 20 5 DCBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CN(S(C)(=O)=O)C1 ZINC000929165292 668660106 /nfs/dbraw/zinc/66/01/06/668660106.db2.gz QHGUODJZFMTWLG-UHFFFAOYSA-N 1 0 313.379 0.918 20 5 DCBDRO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131190 669162715 /nfs/dbraw/zinc/16/27/15/669162715.db2.gz IBQOXTKYINJHHK-BFHYXJOUSA-N 1 0 309.370 0.321 20 5 DCBDRO CO[C@@H]1CCOC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000934039201 669562557 /nfs/dbraw/zinc/56/25/57/669562557.db2.gz BNVCRPGZKBBQLP-ZIAGYGMSSA-N 1 0 323.349 0.951 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934277115 669590367 /nfs/dbraw/zinc/59/03/67/669590367.db2.gz YQILRAAWGNWPRJ-KGLIPLIRSA-N 1 0 323.397 0.631 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000818535176 671029284 /nfs/dbraw/zinc/02/92/84/671029284.db2.gz DOMOYIIZLRHWMR-UHFFFAOYSA-N 1 0 317.349 0.917 20 5 DCBDRO CS(=O)(=O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000818963504 671080660 /nfs/dbraw/zinc/08/06/60/671080660.db2.gz UWHAPNIKQQIZRD-UHFFFAOYSA-N 1 0 315.351 0.558 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000819178383 671100857 /nfs/dbraw/zinc/10/08/57/671100857.db2.gz WSWOQKPECLQHNE-NILFDRSVSA-N 1 0 309.366 0.937 20 5 DCBDRO O=C(NCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC000819217150 671102951 /nfs/dbraw/zinc/10/29/51/671102951.db2.gz QTPGKHZUAJDLRW-ZDUSSCGKSA-N 1 0 319.321 0.371 20 5 DCBDRO CN(CC1C[NH+](C)C1)Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000853553472 671243637 /nfs/dbraw/zinc/24/36/37/671243637.db2.gz OROJNFOEOIPRNC-UHFFFAOYSA-N 1 0 306.322 0.954 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000827264417 671520183 /nfs/dbraw/zinc/52/01/83/671520183.db2.gz BQXFBZYSIKMFEG-GHMZBOCLSA-N 1 0 307.354 0.977 20 5 DCBDRO [NH3+][C@H](CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000834400946 671758350 /nfs/dbraw/zinc/75/83/50/671758350.db2.gz NFRZQZKOZPXFBO-GFCCVEGCSA-N 1 0 303.322 0.798 20 5 DCBDRO C[NH+]1CC2(C1)CCN(C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000834522886 671769538 /nfs/dbraw/zinc/76/95/38/671769538.db2.gz WERPROXHUPMTIY-ZDUSSCGKSA-N 1 0 305.334 0.792 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000841160831 671915848 /nfs/dbraw/zinc/91/58/48/671915848.db2.gz HDMCFKHOVLZJOU-ZETCQYMHSA-N 1 0 312.713 0.746 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000841981864 671970729 /nfs/dbraw/zinc/97/07/29/671970729.db2.gz FFBRHNLXZZFXBJ-JTQLQIEISA-N 1 0 308.342 0.169 20 5 DCBDRO CN(CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000842475178 672013460 /nfs/dbraw/zinc/01/34/60/672013460.db2.gz LBLGNTMSCSKXAQ-SECBINFHSA-N 1 0 316.745 0.438 20 5 DCBDRO CCOC(=O)C[C@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843078364 672059493 /nfs/dbraw/zinc/05/94/93/672059493.db2.gz YEDQGLOMCKQJKD-YPMHNXCESA-N 1 0 312.322 0.532 20 5 DCBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H]3C[NH2+]CCO3)n2)n1C ZINC000843221894 672071677 /nfs/dbraw/zinc/07/16/77/672071677.db2.gz NCIWRQGBXISZPI-QMMMGPOBSA-N 1 0 308.298 0.218 20 5 DCBDRO C[NH+](C)CCN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1=O ZINC000844375066 672178321 /nfs/dbraw/zinc/17/83/21/672178321.db2.gz CQBIQTZANNRESQ-UHFFFAOYSA-N 1 0 324.356 0.940 20 5 DCBDRO C[NH+](C)CC[C@@H](N)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000844912500 672209368 /nfs/dbraw/zinc/20/93/68/672209368.db2.gz IBHYUZQFPKHCGI-LLVKDONJSA-N 1 0 306.326 0.915 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(CC[NH+](C)C)C(=O)C2)n1 ZINC000845635701 672267959 /nfs/dbraw/zinc/26/79/59/672267959.db2.gz PNCFTNWCMHMYJO-UHFFFAOYSA-N 1 0 307.354 0.508 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccon2)C1 ZINC001020008139 693644249 /nfs/dbraw/zinc/64/42/49/693644249.db2.gz JNMMDACJHYXORY-KYZUINATSA-N 1 0 320.309 0.367 20 5 DCBDRO Cc1cccnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139152 693709787 /nfs/dbraw/zinc/70/97/87/693709787.db2.gz TZEYKBOQTWRBPN-HKUMRIAESA-N 1 0 304.350 0.792 20 5 DCBDRO CCNC(=O)CC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001691299330 1157634225 /nfs/dbraw/zinc/63/42/25/1157634225.db2.gz SIVOVPBCRDLQFE-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnnn1C ZINC001691303581 1157636113 /nfs/dbraw/zinc/63/61/13/1157636113.db2.gz ADUMIIFJSUKYAF-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO CN(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520607 1159057456 /nfs/dbraw/zinc/05/74/56/1159057456.db2.gz YFICNNIKCZEFMH-FRRDWIJNSA-N 1 0 311.386 0.471 20 5 DCBDRO CC(C)OCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001566607863 1160091943 /nfs/dbraw/zinc/09/19/43/1160091943.db2.gz ARFQAVKMTKDVHO-ZIAGYGMSSA-N 1 0 313.398 0.999 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnon1 ZINC001567577873 1160428093 /nfs/dbraw/zinc/42/80/93/1160428093.db2.gz HXDJSKNVVAYNRX-UHFFFAOYSA-N 1 0 305.294 0.840 20 5 DCBDRO C[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])C[C@@H](O)C[NH2+]1 ZINC001573596595 1163513130 /nfs/dbraw/zinc/51/31/30/1163513130.db2.gz IVPXENKOPIUXIL-QMTHXVAHSA-N 1 0 308.338 0.236 20 5 DCBDRO CC(C)(C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001575092458 1163889906 /nfs/dbraw/zinc/88/99/06/1163889906.db2.gz NFXHFFNPNGNCHW-LLVKDONJSA-N 1 0 307.350 0.977 20 5 DCBDRO CC1(NC(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)C[NH2+]C1 ZINC001576535316 1164383185 /nfs/dbraw/zinc/38/31/85/1164383185.db2.gz RXCNJAMWRWZBJG-UHFFFAOYSA-N 1 0 306.322 0.193 20 5 DCBDRO C[C@]1(NC(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]C1 ZINC001576534621 1164383204 /nfs/dbraw/zinc/38/32/04/1164383204.db2.gz HNKYOLBBYNUXST-HIFRSBDPSA-N 1 0 318.333 0.956 20 5 DCBDRO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC001578942658 1165164387 /nfs/dbraw/zinc/16/43/87/1165164387.db2.gz DNKGHXKBOYWCKO-HIFRSBDPSA-N 1 0 322.365 0.890 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001578989259 1165180936 /nfs/dbraw/zinc/18/09/36/1165180936.db2.gz NGYSDBSWQISAAX-QWHCGFSZSA-N 1 0 309.322 0.075 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@]3(CC[NH2+]C3)C2)c1 ZINC001579242571 1165247452 /nfs/dbraw/zinc/24/74/52/1165247452.db2.gz SRKMUCFSNIMONB-HNNXBMFYSA-N 1 0 321.333 0.808 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)C1 ZINC001580198456 1165535391 /nfs/dbraw/zinc/53/53/91/1165535391.db2.gz HGVFINWYKUTGCB-FOGDFJRCSA-N 1 0 323.353 0.676 20 5 DCBDRO O=C(NC[C@H]1CCC2(C[NH2+]C2)O1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001580645509 1165672776 /nfs/dbraw/zinc/67/27/76/1165672776.db2.gz DZSJPENHHBVMSJ-ZCFIWIBFSA-N 1 0 315.717 0.222 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001580718175 1165698669 /nfs/dbraw/zinc/69/86/69/1165698669.db2.gz FLBKHXXYSLJLMW-AWEZNQCLSA-N 1 0 304.306 0.719 20 5 DCBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)N1CC2(C[NH2+]C2)C1 ZINC001580825426 1165727178 /nfs/dbraw/zinc/72/71/78/1165727178.db2.gz QWEGTEWTXLOWAZ-UHFFFAOYSA-N 1 0 313.317 0.826 20 5 DCBDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590167046 1166796829 /nfs/dbraw/zinc/79/68/29/1166796829.db2.gz BLPYDFMHFZLRCW-SKDRFNHKSA-N 1 0 318.337 0.978 20 5 DCBDRO C[N@H+]1C[C@H]2CN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])C[C@H]2C1 ZINC001591196800 1167148872 /nfs/dbraw/zinc/14/88/72/1167148872.db2.gz ZXRVNVSTYJDLTL-PHIMTYICSA-N 1 0 315.337 0.773 20 5 DCBDRO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591775970 1167373759 /nfs/dbraw/zinc/37/37/59/1167373759.db2.gz PGTHMWQIWJHAMB-UFBFGSQYSA-N 1 0 304.310 0.730 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001596787873 1167996276 /nfs/dbraw/zinc/99/62/76/1167996276.db2.gz MNQYXRHLJWRKKU-SCVCMEIPSA-N 1 0 323.353 0.642 20 5 DCBDRO C[NH+](C)C[C@@H](O)CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001604680938 1169654669 /nfs/dbraw/zinc/65/46/69/1169654669.db2.gz RPUSUVQKPRKLOV-VIFPVBQESA-N 1 0 307.314 0.109 20 5 DCBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001604686582 1169656547 /nfs/dbraw/zinc/65/65/47/1169656547.db2.gz QLQWQBZEGUNEBL-UHFFFAOYSA-N 1 0 306.330 0.355 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001607079145 1170382830 /nfs/dbraw/zinc/38/28/30/1170382830.db2.gz KETUEEYANRFQDT-UWVGGRQHSA-N 1 0 301.310 0.431 20 5 DCBDRO C[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[C@H]1O ZINC001609172886 1170841070 /nfs/dbraw/zinc/84/10/70/1170841070.db2.gz BCERFRYXTVVLJI-TVQRCGJNSA-N 1 0 318.337 0.978 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CN(C)CCO1 ZINC001622416687 1171424905 /nfs/dbraw/zinc/42/49/05/1171424905.db2.gz ZWVIOXUFZASNHU-NOZJJQNGSA-N 1 0 308.338 0.626 20 5 DCBDRO CCO[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])C[NH+](C)C ZINC001623261461 1171434831 /nfs/dbraw/zinc/43/48/31/1171434831.db2.gz RECVBJQPUIKDJT-JTQLQIEISA-N 1 0 311.342 0.500 20 5 DCBDRO CC[N@@H+]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC001645342178 1172038655 /nfs/dbraw/zinc/03/86/55/1172038655.db2.gz XGUMCYYCALZPPM-GFCCVEGCSA-N 1 0 322.365 0.603 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001648402127 1173073298 /nfs/dbraw/zinc/07/32/98/1173073298.db2.gz IVTSRODAEKZLFQ-QWRGUYRKSA-N 1 0 309.322 0.859 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001661403584 1174122918 /nfs/dbraw/zinc/12/29/18/1174122918.db2.gz NEFRXHJHBNSWMM-XYPYZODXSA-N 1 0 306.322 0.207 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001675047064 1175321326 /nfs/dbraw/zinc/32/13/26/1175321326.db2.gz ZDXSSGBOGAHXSR-SECBINFHSA-N 1 0 307.310 0.519 20 5 DCBDRO Cc1cc(C)n(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001699650880 1178239768 /nfs/dbraw/zinc/23/97/68/1178239768.db2.gz HLPVRNSUMBTYLR-CHWSQXEVSA-N 1 0 321.381 0.404 20 5 DCBDRO COc1ccc(CC[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001714704552 1181492187 /nfs/dbraw/zinc/49/21/87/1181492187.db2.gz SFAPBEYVQGXJLM-HUUCEWRRSA-N 1 0 321.377 0.951 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1nnc[nH]1 ZINC001714781608 1181542424 /nfs/dbraw/zinc/54/24/24/1181542424.db2.gz QKXTVNAYASGFBZ-UHFFFAOYSA-N 1 0 318.337 0.504 20 5 DCBDRO CC(C)[N@H+](CCCNC(=O)C(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001714831011 1181566529 /nfs/dbraw/zinc/56/65/29/1181566529.db2.gz ZKYDYLBBKAPHPZ-UHFFFAOYSA-N 1 0 322.365 0.797 20 5 DCBDRO O=C(C1CC1)N(CCO)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001717043532 1182641363 /nfs/dbraw/zinc/64/13/63/1182641363.db2.gz NWXBUARISBIYQT-UHFFFAOYSA-N 1 0 307.350 0.915 20 5 DCBDRO Cc1c[nH]cc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001731983310 1185623976 /nfs/dbraw/zinc/62/39/76/1185623976.db2.gz DXROMEQYLNGVAW-UHFFFAOYSA-N 1 0 320.353 0.827 20 5 DCBDRO Cc1ccncc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732850566 1186012082 /nfs/dbraw/zinc/01/20/82/1186012082.db2.gz XAMGMHSTGQXWRY-GWSUEFFPSA-N 1 0 304.350 0.817 20 5 DCBDRO NC(=O)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001753667936 1188637459 /nfs/dbraw/zinc/63/74/59/1188637459.db2.gz ONYIPDBOWGJOAZ-UHFFFAOYSA-N 1 0 320.349 0.599 20 5 DCBDRO COCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001754843019 1188945689 /nfs/dbraw/zinc/94/56/89/1188945689.db2.gz XAXKXGUFOUIMHY-XJFOESAGSA-N 1 0 311.382 0.468 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC001164666310 719375175 /nfs/dbraw/zinc/37/51/75/719375175.db2.gz DVMQZBJBFQRHQA-NWDGAFQWSA-N 1 0 322.321 0.296 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC000342703476 719486213 /nfs/dbraw/zinc/48/62/13/719486213.db2.gz KIDVSVIPUVXEGK-RYUDHWBXSA-N 1 0 322.321 0.296 20 5 DCBDRO CCOc1cc([N+](=O)[O-])ccc1N(CC[NH3+])S(C)(=O)=O ZINC001162128795 754012394 /nfs/dbraw/zinc/01/23/94/754012394.db2.gz KTAVJWULUHECQR-UHFFFAOYSA-N 1 0 303.340 0.718 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001167189168 747016561 /nfs/dbraw/zinc/01/65/61/747016561.db2.gz JGHWSJGLUOEQJP-USUYBEQLSA-N 1 0 322.321 0.186 20 5 DCBDRO Cn1nccc1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001126393002 748691606 /nfs/dbraw/zinc/69/16/06/748691606.db2.gz IGHFZBGCVVIAHK-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168985091 760530729 /nfs/dbraw/zinc/53/07/29/760530729.db2.gz CUBNAZBNSQIMAY-NAKRPEOUSA-N 1 0 301.343 0.088 20 5 DCBDRO COC(=O)C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168957385 760532296 /nfs/dbraw/zinc/53/22/96/760532296.db2.gz GOWUJFVJUYFNME-VXGBXAGGSA-N 1 0 300.355 0.991 20 5 DCBDRO CCOC(=O)[C@@H]1CCOC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168991546 760538011 /nfs/dbraw/zinc/53/80/11/760538011.db2.gz HIHFTFQISRYDQI-LOWDOPEQSA-N 1 0 300.355 0.990 20 5 DCBDRO CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001169018958 760559228 /nfs/dbraw/zinc/55/92/28/760559228.db2.gz FRTHXUIETCMLNB-RYMFRWLXSA-N 1 0 311.382 0.752 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2cncc2C[C@@H]([NH3+])CO)c1 ZINC001169074290 760573589 /nfs/dbraw/zinc/57/35/89/760573589.db2.gz JEEORJFJLBAQQP-SNVBAGLBSA-N 1 0 320.305 0.429 20 5 DCBDRO COC1CC[NH+](CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001148628019 768026239 /nfs/dbraw/zinc/02/62/39/768026239.db2.gz XZGWVYVHLSXFPR-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO COc1nc(C)c(NCCOCCOCC[NH3+])cc1[N+](=O)[O-] ZINC001170511005 763443980 /nfs/dbraw/zinc/44/39/80/763443980.db2.gz JUWYDHRNPONUEE-UHFFFAOYSA-N 1 0 314.342 0.711 20 5 DCBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1cc([N+](=O)[O-])c(C)c[n+]1[O-] ZINC001170513849 763491363 /nfs/dbraw/zinc/49/13/63/763491363.db2.gz DAURYWGJTZCZRE-UHFFFAOYSA-N 1 0 322.321 0.759 20 5 DCBDRO CCCC(=O)NCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124304649 768210856 /nfs/dbraw/zinc/21/08/56/768210856.db2.gz ATPVXTHDVGSHOC-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170775054 765699753 /nfs/dbraw/zinc/69/97/53/765699753.db2.gz XVDZIOMQQWOVTA-SFYZADRCSA-N 1 0 313.745 0.908 20 5 DCBDRO Nc1nccnc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001125029398 768341799 /nfs/dbraw/zinc/34/17/99/768341799.db2.gz UBVJLHVTXVNMMA-UHFFFAOYSA-N 1 0 316.321 0.487 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118032475 766200146 /nfs/dbraw/zinc/20/01/46/766200146.db2.gz PPEKFXNCWZJUGN-CQSZACIVSA-N 1 0 320.349 0.999 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncc(F)c(C)c1[N+](=O)[O-] ZINC001170991988 766368754 /nfs/dbraw/zinc/36/87/54/766368754.db2.gz HEYRUWYZRPTHKY-UHFFFAOYSA-N 1 0 300.290 0.766 20 5 DCBDRO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2[C@@H]3C[NH2+]C[C@H]23)cs1 ZINC001580874817 1165746939 /nfs/dbraw/zinc/74/69/39/1165746939.db2.gz KCYZIZQSNWYVOZ-BRPSZJMVSA-N 1 0 303.365 0.400 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001120289979 766956741 /nfs/dbraw/zinc/95/67/41/766956741.db2.gz LOHLYVCITTVSDB-IJLUTSLNSA-N 1 0 322.369 0.375 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC001122010482 767695912 /nfs/dbraw/zinc/69/59/12/767695912.db2.gz QCQLEKLNYRADRO-UHFFFAOYSA-N 1 0 307.354 0.702 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H]1C[NH2+]CC12CC2 ZINC001122498418 767818034 /nfs/dbraw/zinc/81/80/34/767818034.db2.gz MXMHUAHFDQJQOK-LBPRGKRZSA-N 1 0 309.297 0.981 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001149204478 768716042 /nfs/dbraw/zinc/71/60/42/768716042.db2.gz HBDBKIRUCMYSLF-UHFFFAOYSA-N 1 0 321.337 0.467 20 5 DCBDRO CC[N@H+](C)CCC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093840309 768741958 /nfs/dbraw/zinc/74/19/58/768741958.db2.gz GPCWLSSFUWPJML-UHFFFAOYSA-N 1 0 311.342 0.565 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001173216875 769563573 /nfs/dbraw/zinc/56/35/73/769563573.db2.gz JVTLSKFDMVODSB-WTIZUCLUSA-N 1 0 310.350 0.218 20 5 DCBDRO C[C@@H]1Cc2n[nH]cc2C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001176143845 770031923 /nfs/dbraw/zinc/03/19/23/770031923.db2.gz AXHHRAAELKXCJV-MFKMUULPSA-N 1 0 320.353 0.570 20 5 DCBDRO Cc1cc(C)n(CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)n1 ZINC001154789038 770296276 /nfs/dbraw/zinc/29/62/76/770296276.db2.gz UXNFWPPLUWXZOS-UHFFFAOYSA-N 1 0 317.353 0.997 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ncc([N+](=O)[O-])cc1F ZINC001155077379 770387116 /nfs/dbraw/zinc/38/71/16/770387116.db2.gz BNBDSPDSYOZDMH-UHFFFAOYSA-N 1 0 309.257 0.950 20 5 DCBDRO CC(C)Oc1nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001155581862 770555389 /nfs/dbraw/zinc/55/53/89/770555389.db2.gz VMWRSIBQKGPZTB-HZMBPMFUSA-N 1 0 321.337 0.767 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001155620541 770567790 /nfs/dbraw/zinc/56/77/90/770567790.db2.gz LMJAAMFNEIMWBE-FZMZJTMJSA-N 1 0 308.338 0.860 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)/C=C/C1CC1 ZINC001156166008 770737280 /nfs/dbraw/zinc/73/72/80/770737280.db2.gz RGFCZNSOOHKLRM-AATRIKPKSA-N 1 0 307.354 0.890 20 5 DCBDRO O=C(CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1)N1CCCC1 ZINC001156350859 770792971 /nfs/dbraw/zinc/79/29/71/770792971.db2.gz JULJEKMPYBAHSI-UHFFFAOYSA-N 1 0 306.326 0.106 20 5 DCBDRO COC(=O)C1(Nc2ccc([N+](=O)[O-])c(OC)n2)CC[NH2+]CC1 ZINC001156529423 770847069 /nfs/dbraw/zinc/84/70/69/770847069.db2.gz RHANUSCWWFYFIN-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO CN(Cc1ccno1)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157350939 771592257 /nfs/dbraw/zinc/59/22/57/771592257.db2.gz SOMWSYUFHCCMFK-UHFFFAOYSA-N 1 0 319.325 0.419 20 5 DCBDRO CC(C)(C)n1ncnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767506 771665947 /nfs/dbraw/zinc/66/59/47/771665947.db2.gz PIBQSTXABIWJHD-GHMZBOCLSA-N 1 0 324.385 0.294 20 5 DCBDRO COc1cnc(N2CC([N@H+](C)[C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001158731778 771815725 /nfs/dbraw/zinc/81/57/25/771815725.db2.gz YKLZQNBSFNHLOM-JTQLQIEISA-N 1 0 308.338 0.908 20 5 DCBDRO CNC(=O)NCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001159341084 771898873 /nfs/dbraw/zinc/89/88/73/771898873.db2.gz JTZAMMAYYBEAHC-UHFFFAOYSA-N 1 0 323.353 0.120 20 5 DCBDRO CN1CC[NH+](CC2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC001159367136 771902242 /nfs/dbraw/zinc/90/22/42/771902242.db2.gz WMTFITHVEIVMHN-UHFFFAOYSA-N 1 0 307.354 0.242 20 5 DCBDRO [NH3+]CCOCCOCCNc1nc(Cl)ncc1[N+](=O)[O-] ZINC001159443824 771910616 /nfs/dbraw/zinc/91/06/16/771910616.db2.gz ZWTSVFDJNAATJJ-UHFFFAOYSA-N 1 0 305.722 0.442 20 5 DCBDRO C[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])[C@H]1C[NH2+]CCO1 ZINC001159500212 771920461 /nfs/dbraw/zinc/92/04/61/771920461.db2.gz QXRVEFPBOIQKRQ-VXNVDRBHSA-N 1 0 302.718 0.670 20 5 DCBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001159672409 771942673 /nfs/dbraw/zinc/94/26/73/771942673.db2.gz POBTWUJAQYDEEP-MUWHJKNJSA-N 1 0 322.699 0.862 20 5 DCBDRO C[C@H]1COCC[C@H]1Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001159709078 771947648 /nfs/dbraw/zinc/94/76/48/771947648.db2.gz NPEAQNAXJGEMAN-WDEREUQCSA-N 1 0 322.369 0.631 20 5 DCBDRO COC(=O)C[C@H](C)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160526308 772057922 /nfs/dbraw/zinc/05/79/22/772057922.db2.gz VIMXFGMDDYGUFX-VIFPVBQESA-N 1 0 324.341 0.158 20 5 DCBDRO CC(=O)NC[C@H](C)CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001160660827 772089614 /nfs/dbraw/zinc/08/96/14/772089614.db2.gz QFTFCDNIASUBGD-QMMMGPOBSA-N 1 0 308.342 0.256 20 5 DCBDRO COc1nc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)ncc1[N+](=O)[O-] ZINC001161275193 772195410 /nfs/dbraw/zinc/19/54/10/772195410.db2.gz NNVUEEYVCWDQSG-MGCOHNPYSA-N 1 0 323.353 0.869 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@H](O)c2ccncc2)nc1C1C[NH2+]C1 ZINC001162551011 772391134 /nfs/dbraw/zinc/39/11/34/772391134.db2.gz CCJKNOCELGZSSJ-LBPRGKRZSA-N 1 0 316.321 0.612 20 5 DCBDRO NC(=O)c1nc(NC[C@]2(F)CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001162573769 772393879 /nfs/dbraw/zinc/39/38/79/772393879.db2.gz UIMAXIHXKXPGAX-ZDUSSCGKSA-N 1 0 311.317 0.982 20 5 DCBDRO Cc1cnc(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c(=O)[nH]1 ZINC001162717474 772410929 /nfs/dbraw/zinc/41/09/29/772410929.db2.gz KUQJSUDAJDKQSO-UHFFFAOYSA-N 1 0 303.282 0.207 20 5 DCBDRO COc1cc(NCc2nnc3n2CCC[NH2+]C3)cnc1[N+](=O)[O-] ZINC001163022016 772445280 /nfs/dbraw/zinc/44/52/80/772445280.db2.gz LAKREBCODYIRKZ-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO O=[N+]([O-])c1cc(NCC[C@@H]2CCOC23C[NH2+]C3)cn2cnnc12 ZINC001163094091 772460561 /nfs/dbraw/zinc/46/05/61/772460561.db2.gz GDKACJVYWBMIDB-SNVBAGLBSA-N 1 0 318.337 0.818 20 5 DCBDRO COc1nc(C)nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001163095036 772461015 /nfs/dbraw/zinc/46/10/15/772461015.db2.gz VWKPXBWHYNHGKY-OPRDCNLKSA-N 1 0 309.326 0.348 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cccc3ncc([N+](=O)[O-])n32)N1 ZINC001163252621 772491857 /nfs/dbraw/zinc/49/18/57/772491857.db2.gz ASTCSMNKHNZQHB-ISVAXAHUSA-N 1 0 302.294 0.233 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])c3nccn3c2)N1 ZINC001163252059 772492008 /nfs/dbraw/zinc/49/20/08/772492008.db2.gz TXNADQIMRBOZGL-GWCFXTLKSA-N 1 0 302.294 0.233 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163347567 772510449 /nfs/dbraw/zinc/51/04/49/772510449.db2.gz FFNRILCAZNSJDF-QRTLGDNMSA-N 1 0 308.294 0.318 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cnco1 ZINC001163529416 772536148 /nfs/dbraw/zinc/53/61/48/772536148.db2.gz ZKYFQAIUXHDMFC-UHFFFAOYSA-N 1 0 308.298 0.226 20 5 DCBDRO CN(c1ccc2cc([N+](=O)[O-])ccc2n1)S(=O)(=O)CC[NH3+] ZINC001164287238 772637252 /nfs/dbraw/zinc/63/72/52/772637252.db2.gz NXBFJDAVMRNBOV-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC001165437266 772737095 /nfs/dbraw/zinc/73/70/95/772737095.db2.gz QIHBWGLSVWDFAT-SECBINFHSA-N 1 0 300.702 0.594 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001166702628 772844122 /nfs/dbraw/zinc/84/41/22/772844122.db2.gz ZUKXCRNUABPXPJ-JTQLQIEISA-N 1 0 316.321 0.626 20 5 DCBDRO COc1ncnc(-n2ccc([C@H]3CCC[NH2+]3)nc2=N)c1[N+](=O)[O-] ZINC001166702280 772844127 /nfs/dbraw/zinc/84/41/27/772844127.db2.gz XEZQVISRFPNNKJ-MRVPVSSYSA-N 1 0 317.309 0.483 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H](CCO)C2)nc1C1C[NH2+]C1 ZINC001166852776 772871301 /nfs/dbraw/zinc/87/13/01/772871301.db2.gz XWYUZLLMFSQDQH-JTQLQIEISA-N 1 0 307.354 0.670 20 5 DCBDRO COC(=O)C1(Nc2nc(OC)ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166922787 772880412 /nfs/dbraw/zinc/88/04/12/772880412.db2.gz IEJYRXYWGSOOMG-UHFFFAOYSA-N 1 0 311.298 0.101 20 5 DCBDRO NC(=O)C(=O)NCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001166923867 772880984 /nfs/dbraw/zinc/88/09/84/772880984.db2.gz QSRASFPRHVLERC-UHFFFAOYSA-N 1 0 320.349 0.456 20 5 DCBDRO COC(=O)C1(Nc2cnc([N+](=O)[O-])c(OC)c2)CC[NH2+]CC1 ZINC001166954195 772888439 /nfs/dbraw/zinc/88/84/39/772888439.db2.gz DFASSCGTFWLJHV-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO CS(=O)(=O)N(c1cc(Cl)cc([N+](=O)[O-])n1)C1C[NH2+]C1 ZINC001166969462 772893292 /nfs/dbraw/zinc/89/32/92/772893292.db2.gz SRBJAXMQGBNEST-UHFFFAOYSA-N 1 0 306.731 0.381 20 5 DCBDRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001205168226 772981517 /nfs/dbraw/zinc/98/15/17/772981517.db2.gz BBYQCTBSIAQCBT-WDSKDSINSA-N 1 0 324.272 0.703 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC001205237669 772984217 /nfs/dbraw/zinc/98/42/17/772984217.db2.gz MJNBANAFABYNLC-CQSZACIVSA-N 1 0 306.322 0.892 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)cc1CNN ZINC001218223459 774218446 /nfs/dbraw/zinc/21/84/46/774218446.db2.gz HMSCFYKRBVPMPJ-GFCCVEGCSA-N 1 0 316.809 0.666 20 5 DCBDRO CC(C)(C)OC(=O)NCCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224655472 775593318 /nfs/dbraw/zinc/59/33/18/775593318.db2.gz CDLNUXGIZHKJBD-GFCCVEGCSA-O 1 0 319.422 0.902 20 5 DCBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2c1NC(=O)C2 ZINC001225412955 775676439 /nfs/dbraw/zinc/67/64/39/775676439.db2.gz KXPPBIZWHNVAOC-GFCCVEGCSA-O 1 0 307.370 0.852 20 5 DCBDRO COC(=O)c1sccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226264649 775790388 /nfs/dbraw/zinc/79/03/88/775790388.db2.gz BEMVBKXPALDAMK-SECBINFHSA-N 1 0 302.372 0.897 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1n[nH]c(=O)c2c1CCCC2 ZINC001229224969 776171049 /nfs/dbraw/zinc/17/10/49/776171049.db2.gz POCKCLZOHMUWAG-SNVBAGLBSA-O 1 0 310.374 0.424 20 5 DCBDRO CN(CC[NH2+]Cc1cccc(Cl)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317586093 945087400 /nfs/dbraw/zinc/08/74/00/945087400.db2.gz XUYURBCLDGHNDS-GHMZBOCLSA-N 1 0 312.757 0.948 20 5 DCBDRO Cc1nnc(CN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C(C)C)[nH]1 ZINC001267257830 939405790 /nfs/dbraw/zinc/40/57/90/939405790.db2.gz WZNSFEWOAIBCFN-VXGBXAGGSA-N 1 0 324.385 0.495 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cccnc1 ZINC001267341422 939429168 /nfs/dbraw/zinc/42/91/68/939429168.db2.gz SMECLQSPIRBJIU-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO CC(=O)N(C)CC(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001481208135 939627580 /nfs/dbraw/zinc/62/75/80/939627580.db2.gz CSFJFSZTIOHHFX-UHFFFAOYSA-N 1 0 322.365 0.621 20 5 DCBDRO C[C@H](O)C[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001460294938 942487969 /nfs/dbraw/zinc/48/79/69/942487969.db2.gz IWVHHARKRMPKTN-JTQLQIEISA-N 1 0 317.367 0.186 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246905550 945514823 /nfs/dbraw/zinc/51/48/23/945514823.db2.gz PJQAYPSTJNIKJM-XBFCOCLRSA-N 1 0 305.334 0.637 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001319591277 945626784 /nfs/dbraw/zinc/62/67/84/945626784.db2.gz GDGPBCXROMBNKY-RYUDHWBXSA-N 1 0 320.349 0.500 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001320009693 945718337 /nfs/dbraw/zinc/71/83/37/945718337.db2.gz KJSDPNURTYVWMR-GFCCVEGCSA-N 1 0 320.349 0.357 20 5 DCBDRO O=C(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC001254580730 946412642 /nfs/dbraw/zinc/41/26/42/946412642.db2.gz DZNMLFIKZHMBCS-ZDUSSCGKSA-N 1 0 305.334 0.510 20 5 DCBDRO CC(C)[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nncn1C ZINC001323546400 947122494 /nfs/dbraw/zinc/12/24/94/947122494.db2.gz TYGWBWXHUPEDTL-VXGBXAGGSA-N 1 0 323.357 0.268 20 5 DCBDRO COC(=O)C[N@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001323798635 947209207 /nfs/dbraw/zinc/20/92/07/947209207.db2.gz TYFIFEPMLWOCNU-GFCCVEGCSA-N 1 0 314.342 0.283 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001261379624 947266409 /nfs/dbraw/zinc/26/64/09/947266409.db2.gz IARYWQJFUWUDGC-SSDOTTSWSA-N 1 0 314.729 0.328 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001261475277 947308496 /nfs/dbraw/zinc/30/84/96/947308496.db2.gz SKRINBWNBMJICZ-NSHDSACASA-N 1 0 308.338 0.826 20 5 DCBDRO O=C(CCc1cccc([N+](=O)[O-])c1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001263155682 947814096 /nfs/dbraw/zinc/81/40/96/947814096.db2.gz CPONTNCDJSOIOH-LBPRGKRZSA-N 1 0 305.334 0.775 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])o3)C[C@H]2[NH3+])cn1 ZINC001326049576 948031919 /nfs/dbraw/zinc/03/19/19/948031919.db2.gz ILTKEPGFSIPSBA-VHSXEESVSA-N 1 0 305.294 0.488 20 5 DCBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)n1C ZINC001328643771 949006400 /nfs/dbraw/zinc/00/64/00/949006400.db2.gz TUNHGIQITNTODD-SDBXPKJASA-N 1 0 320.309 0.174 20 5 DCBDRO [NH3+]CCCNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001328744798 949065020 /nfs/dbraw/zinc/06/50/20/949065020.db2.gz BFJSBUDHYPTBIG-UHFFFAOYSA-N 1 0 314.729 0.329 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001331486903 951138806 /nfs/dbraw/zinc/13/88/06/951138806.db2.gz IARYWQJFUWUDGC-ZETCQYMHSA-N 1 0 314.729 0.328 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331772718 951304250 /nfs/dbraw/zinc/30/42/50/951304250.db2.gz AFNPKGDIOFXBCX-SNVBAGLBSA-N 1 0 320.349 0.285 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001332122166 951487060 /nfs/dbraw/zinc/48/70/60/951487060.db2.gz MHAYTVQSMSYFOC-NEPJUHHUSA-N 1 0 320.349 0.167 20 5 DCBDRO CN1CCN(C)[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC001333350641 952016283 /nfs/dbraw/zinc/01/62/83/952016283.db2.gz CVZSSFFZOYAMIE-BPCQOVAHSA-N 1 0 308.386 0.330 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340863619 953200544 /nfs/dbraw/zinc/20/05/44/953200544.db2.gz UYRLFWPCKZVFJW-IHRRRGAJSA-N 1 0 307.350 0.737 20 5 DCBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCNCC[NH2+]CC1 ZINC001341108527 953211279 /nfs/dbraw/zinc/21/12/79/953211279.db2.gz GVOOGRGXORVLDD-UHFFFAOYSA-N 1 0 324.406 0.708 20 5 DCBDRO Cc1cc(F)cc(C(=O)N2CCNCC[NH2+]CC2)c1[N+](=O)[O-] ZINC001341223450 953218242 /nfs/dbraw/zinc/21/82/42/953218242.db2.gz USBKXVROEZYROW-UHFFFAOYSA-N 1 0 310.329 0.677 20 5 DCBDRO O=C(N1CCN(c2cccc([N+](=O)[O-])c2)CC1)C12CC(C1)C[NH2+]2 ZINC001341571630 953238143 /nfs/dbraw/zinc/23/81/43/953238143.db2.gz SWAPOISHFUJIJF-UHFFFAOYSA-N 1 0 316.361 0.995 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC001348973504 954552244 /nfs/dbraw/zinc/55/22/44/954552244.db2.gz SCZVUJJTFIYHMF-KOLCDFICSA-N 1 0 306.326 0.022 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001354461830 956397348 /nfs/dbraw/zinc/39/73/48/956397348.db2.gz JMGASPCGYJWBTQ-NSHDSACASA-N 1 0 315.757 0.829 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001471214610 1016545313 /nfs/dbraw/zinc/54/53/13/1016545313.db2.gz JUMICWTUKGDRJK-KOLCDFICSA-N 1 0 305.338 0.738 20 5 DCBDRO COc1c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001456303359 1010181749 /nfs/dbraw/zinc/18/17/49/1010181749.db2.gz LRSBXGYYZAZAEU-JTQLQIEISA-N 1 0 321.333 0.806 20 5 DCBDRO CC(C)[NH+]1CCC(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC001534306667 1011567119 /nfs/dbraw/zinc/56/71/19/1011567119.db2.gz MCUUVUGCRNHXNM-UHFFFAOYSA-N 1 0 324.385 0.813 20 5 DCBDRO COC(=O)c1cnc(NC[C@@H]2CSCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001458563163 1012218041 /nfs/dbraw/zinc/21/80/41/1012218041.db2.gz JQUVADJNOFZUFN-SECBINFHSA-N 1 0 312.351 0.893 20 5 DCBDRO Cc1cc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC001558042605 1012314812 /nfs/dbraw/zinc/31/48/12/1012314812.db2.gz FNKPUTORQXSGMO-HNNXBMFYSA-N 1 0 322.365 0.624 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCCC[C@@]23CCOC3)c1 ZINC001560232850 1012443500 /nfs/dbraw/zinc/44/35/00/1012443500.db2.gz JTPHQIMQPOSTMP-KBPBESRZSA-N 1 0 310.354 0.797 20 5 DCBDRO NC(=O)Cn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1 ZINC001560426520 1012450259 /nfs/dbraw/zinc/45/02/59/1012450259.db2.gz NPYPQCWUEWFDIT-UHFFFAOYSA-N 1 0 304.310 0.004 20 5 DCBDRO COC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278749660 214374497 /nfs/dbraw/zinc/37/44/97/214374497.db2.gz ASZAHGQKNHANEJ-GXTWGEPZSA-N 1 0 323.349 0.977 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322202 185290976 /nfs/dbraw/zinc/29/09/76/185290976.db2.gz STJRDWRDQOJIAH-PHIMTYICSA-N 1 0 311.363 0.743 20 5 DCBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000184602227 529965708 /nfs/dbraw/zinc/96/57/08/529965708.db2.gz FMYCVCROGBNMAX-JTQLQIEISA-N 1 0 307.354 0.986 20 5 DCBDRO C[NH2+][C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053204776 290812390 /nfs/dbraw/zinc/81/23/90/290812390.db2.gz GUNFAIGXPRYJBP-SECBINFHSA-N 1 0 314.367 0.430 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000331746439 234074752 /nfs/dbraw/zinc/07/47/52/234074752.db2.gz ZHGZJIJXNYAQNL-ZFWWWQNUSA-N 1 0 324.381 0.901 20 5 DCBDRO CNC(=O)[C@@H](C)C[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000081526476 192284057 /nfs/dbraw/zinc/28/40/57/192284057.db2.gz IYRIFLLQGLVCBW-NSHDSACASA-N 1 0 322.365 0.872 20 5 DCBDRO NC(=O)NC(=O)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373273197 283301515 /nfs/dbraw/zinc/30/15/15/283301515.db2.gz IZNZUWYBFMWFAT-UHFFFAOYSA-N 1 0 324.341 0.403 20 5 DCBDRO Cc1c(NC(=O)C(=O)N(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000154830297 291216186 /nfs/dbraw/zinc/21/61/86/291216186.db2.gz FAPNXZNVYNFJBG-UHFFFAOYSA-N 1 0 308.338 0.862 20 5 DCBDRO CC[C@H](C)[N@@H+](CC(=O)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281527728 216361678 /nfs/dbraw/zinc/36/16/78/216361678.db2.gz ZUJFIQGISVKLRE-CMPLNLGQSA-N 1 0 314.342 0.426 20 5 DCBDRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415299281 239546776 /nfs/dbraw/zinc/54/67/76/239546776.db2.gz HYHPMSJZXDEFRV-UHFFFAOYSA-N 1 0 324.312 0.870 20 5 DCBDRO COCC1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC[NH2+]CC1 ZINC000566795321 291323590 /nfs/dbraw/zinc/32/35/90/291323590.db2.gz JTWTUIIASJOIIL-UHFFFAOYSA-N 1 0 324.337 0.441 20 5 DCBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000421704301 240099032 /nfs/dbraw/zinc/09/90/32/240099032.db2.gz OEXRKTJLGUNSOY-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423535845 240200554 /nfs/dbraw/zinc/20/05/54/240200554.db2.gz FPDCZLYMWUVSME-JTQLQIEISA-N 1 0 309.322 0.793 20 5 DCBDRO [NH3+]CCN(CCc1ccccc1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000423658189 240233994 /nfs/dbraw/zinc/23/39/94/240233994.db2.gz XIDULNPFITXPMW-UHFFFAOYSA-N 1 0 303.322 0.962 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000567470914 291356997 /nfs/dbraw/zinc/35/69/97/291356997.db2.gz VMUPNXZMGXFDON-SNVBAGLBSA-N 1 0 314.367 0.658 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000493763928 241152014 /nfs/dbraw/zinc/15/20/14/241152014.db2.gz YIVYXTBGFZLIDK-NSDHSQQOSA-N 1 0 305.334 0.741 20 5 DCBDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000567671328 291367610 /nfs/dbraw/zinc/36/76/10/291367610.db2.gz QZUBUPLHQKMGAV-NSHDSACASA-N 1 0 308.338 0.261 20 5 DCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000567880954 291387387 /nfs/dbraw/zinc/38/73/87/291387387.db2.gz PWISBJYSTJKUNE-QWRGUYRKSA-N 1 0 322.365 0.795 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000264867340 204222524 /nfs/dbraw/zinc/22/25/24/204222524.db2.gz GBAFBBYOMIBQEN-UHFFFAOYSA-N 1 0 306.366 0.962 20 5 DCBDRO CC[N@H+](C)CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264894021 204247673 /nfs/dbraw/zinc/24/76/73/204247673.db2.gz KIFPNEUKSOIXFG-UHFFFAOYSA-N 1 0 322.365 0.783 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000574318935 291688162 /nfs/dbraw/zinc/68/81/62/291688162.db2.gz JRPQIIBPRNBIGX-VIFPVBQESA-N 1 0 309.322 0.951 20 5 DCBDRO Cc1cnc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000574803026 291716542 /nfs/dbraw/zinc/71/65/42/291716542.db2.gz DWXHWLHJZLWGOV-LBPRGKRZSA-N 1 0 306.326 0.083 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCCC[NH+](C)C ZINC000048606138 183670480 /nfs/dbraw/zinc/67/04/80/183670480.db2.gz GQLZZBZYGZGTHR-UHFFFAOYSA-N 1 0 324.337 0.610 20 5 DCBDRO C[N@@H+]1CC[C@H](CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000109848441 194292670 /nfs/dbraw/zinc/29/26/70/194292670.db2.gz CRRVFIGRHLDHKV-LLVKDONJSA-N 1 0 320.349 0.393 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000063170830 184275583 /nfs/dbraw/zinc/27/55/83/184275583.db2.gz BJNQZOUASAUYDB-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000066139886 184392506 /nfs/dbraw/zinc/39/25/06/184392506.db2.gz KCYWZUULFSDJLW-LLVKDONJSA-N 1 0 310.354 0.603 20 5 DCBDRO [NH3+][C@H]1CCc2ncc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2C1 ZINC000349053885 254271108 /nfs/dbraw/zinc/27/11/08/254271108.db2.gz NCUNSIWFEIIRAE-VIFPVBQESA-N 1 0 317.309 0.036 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000349962268 254306534 /nfs/dbraw/zinc/30/65/34/254306534.db2.gz MYFSJTGHAMKRPX-QMMMGPOBSA-N 1 0 315.351 0.465 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000349989886 254307684 /nfs/dbraw/zinc/30/76/84/254307684.db2.gz NYOOJWAOAIPXTM-VIFPVBQESA-N 1 0 304.310 0.643 20 5 DCBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285385653 131163361 /nfs/dbraw/zinc/16/33/61/131163361.db2.gz BQQFNNAQQQHGKO-UHFFFAOYSA-N 1 0 324.385 0.321 20 5 DCBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000285746667 131198745 /nfs/dbraw/zinc/19/87/45/131198745.db2.gz YKADUNYRCRJETJ-IACUBPJLSA-N 1 0 312.322 0.026 20 5 DCBDRO [NH3+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(Br)c1 ZINC000122456623 132166716 /nfs/dbraw/zinc/16/67/16/132166716.db2.gz NKCRFYKBQLVPDT-UHFFFAOYSA-N 1 0 324.156 0.594 20 5 DCBDRO C[NH+]1CCC(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000102356645 395769563 /nfs/dbraw/zinc/76/95/63/395769563.db2.gz BDFFJDODXUCTPM-UHFFFAOYSA-N 1 0 309.370 0.984 20 5 DCBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193586883 395772627 /nfs/dbraw/zinc/77/26/27/395772627.db2.gz ABPJABGSZBUFGF-UHIISALHSA-N 1 0 323.349 0.449 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000112918178 395825670 /nfs/dbraw/zinc/82/56/70/395825670.db2.gz VNMORTWVSQBPKF-UHFFFAOYSA-N 1 0 321.381 0.544 20 5 DCBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1ncc([N+](=O)[O-])cn1 ZINC000273620306 395934625 /nfs/dbraw/zinc/93/46/25/395934625.db2.gz ONHUOAJBOMHWIN-GFCCVEGCSA-N 1 0 322.369 0.739 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000061648888 395969470 /nfs/dbraw/zinc/96/94/70/395969470.db2.gz JRPRLNYFROGAJJ-NWDGAFQWSA-N 1 0 323.353 0.079 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000156483810 396061783 /nfs/dbraw/zinc/06/17/83/396061783.db2.gz UREBOZNYCDMVBN-JOYOIKCWSA-N 1 0 315.351 0.332 20 5 DCBDRO CN(CCC[NH3+])C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000158749455 396064898 /nfs/dbraw/zinc/06/48/98/396064898.db2.gz GMLDXMODFGFJKG-SNVBAGLBSA-N 1 0 324.337 0.600 20 5 DCBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261830691 396070161 /nfs/dbraw/zinc/07/01/61/396070161.db2.gz IAQYAYPEURTWES-GFCCVEGCSA-N 1 0 322.340 0.854 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)CNc2ccccc2[N+](=O)[O-])CC1 ZINC000170920172 396101445 /nfs/dbraw/zinc/10/14/45/396101445.db2.gz MUFIREIGPCVBAN-UHFFFAOYSA-N 1 0 321.381 0.370 20 5 DCBDRO O=C(C[C@@H]1COCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000262333244 396125261 /nfs/dbraw/zinc/12/52/61/396125261.db2.gz DWGROQMHXKSLCW-CYBMUJFWSA-N 1 0 305.334 0.858 20 5 DCBDRO COc1cc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c([N+](=O)[O-])cc1O ZINC000278576046 396132603 /nfs/dbraw/zinc/13/26/03/396132603.db2.gz FGNJNXMAMYZIOE-OTYXRUKQSA-N 1 0 312.322 0.939 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262406964 396136899 /nfs/dbraw/zinc/13/68/99/396136899.db2.gz QERKTICWWWSXJB-GFCCVEGCSA-N 1 0 316.321 0.190 20 5 DCBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)CN1CCOCC1 ZINC000176824083 396161914 /nfs/dbraw/zinc/16/19/14/396161914.db2.gz AKJZRLLGVWVQPI-LLVKDONJSA-N 1 0 322.365 0.875 20 5 DCBDRO CC(C)C[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000075586606 396181758 /nfs/dbraw/zinc/18/17/58/396181758.db2.gz AULGLODJEXWWCR-AWEZNQCLSA-N 1 0 311.386 0.426 20 5 DCBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075752025 396186181 /nfs/dbraw/zinc/18/61/81/396186181.db2.gz XPLBSDDBVGCSFJ-IHRRRGAJSA-N 1 0 312.370 0.778 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000264443306 396280350 /nfs/dbraw/zinc/28/03/50/396280350.db2.gz OGSSCFJXILRSGM-LBPRGKRZSA-N 1 0 306.366 0.961 20 5 DCBDRO C[NH+](C)[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000264495886 396285044 /nfs/dbraw/zinc/28/50/44/396285044.db2.gz XDEYCEOGGNMBLG-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000184384808 396293301 /nfs/dbraw/zinc/29/33/01/396293301.db2.gz NKKBWXHJMSKOGG-NSHDSACASA-N 1 0 310.354 0.944 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C(N)=O)c([N+](=O)[O-])c1 ZINC000184845363 396308881 /nfs/dbraw/zinc/30/88/81/396308881.db2.gz CSSGFZJNQMBAFM-NEPJUHHUSA-N 1 0 320.349 0.827 20 5 DCBDRO CC1(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)COC1 ZINC000285871394 396359461 /nfs/dbraw/zinc/35/94/61/396359461.db2.gz JATMOQXTZMKEHF-UHFFFAOYSA-N 1 0 314.363 0.995 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000269274701 396402892 /nfs/dbraw/zinc/40/28/92/396402892.db2.gz NZKIQUHBTWBAPZ-LLVKDONJSA-N 1 0 318.337 0.889 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000288003867 396436717 /nfs/dbraw/zinc/43/67/17/396436717.db2.gz BNVMGXMXCMUWOH-JTQLQIEISA-N 1 0 308.338 0.908 20 5 DCBDRO CCN1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000580064435 396485414 /nfs/dbraw/zinc/48/54/14/396485414.db2.gz CXHJKLMHYZFEOL-WCQYABFASA-N 1 0 323.349 0.545 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581777507 396583134 /nfs/dbraw/zinc/58/31/34/396583134.db2.gz OTWVASOIMBLTII-NSHDSACASA-N 1 0 322.369 0.559 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C[C@@H]1O ZINC000519615614 396521503 /nfs/dbraw/zinc/52/15/03/396521503.db2.gz QWFXMBPURSUIPH-QWRGUYRKSA-N 1 0 323.305 0.070 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000581250243 396538091 /nfs/dbraw/zinc/53/80/91/396538091.db2.gz FEZUDUWKWLJVDN-NXEZZACHSA-N 1 0 314.367 0.738 20 5 DCBDRO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372748798 396543404 /nfs/dbraw/zinc/54/34/04/396543404.db2.gz LFQSLHDWIVFYME-SUHUHFCYSA-N 1 0 320.349 0.342 20 5 DCBDRO CC[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000595108473 396549199 /nfs/dbraw/zinc/54/91/99/396549199.db2.gz PWMSNJUWTVGSGT-GXSJLCMTSA-N 1 0 314.367 0.738 20 5 DCBDRO CCn1cc(S(=O)(=O)N(C)CC(C)(C)[NH3+])c([N+](=O)[O-])n1 ZINC000595116569 396551592 /nfs/dbraw/zinc/55/15/92/396551592.db2.gz SNWHPIBUEKVBMO-UHFFFAOYSA-N 1 0 305.360 0.169 20 5 DCBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372956100 396556409 /nfs/dbraw/zinc/55/64/09/396556409.db2.gz OOPWZRGBZXJSJN-VXGBXAGGSA-N 1 0 321.333 0.893 20 5 DCBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)C2)C1 ZINC000293957065 396644332 /nfs/dbraw/zinc/64/43/32/396644332.db2.gz SRAIAONPHFRIFD-CQSZACIVSA-N 1 0 306.322 0.863 20 5 DCBDRO CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000595353759 396594287 /nfs/dbraw/zinc/59/42/87/396594287.db2.gz KDVDJLHIPRJWAY-SNVBAGLBSA-N 1 0 314.367 0.752 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000595932071 396685552 /nfs/dbraw/zinc/68/55/52/396685552.db2.gz KQQRNKDYNLTDTH-AAEUAGOBSA-N 1 0 309.322 0.583 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000595935619 396686885 /nfs/dbraw/zinc/68/68/85/396686885.db2.gz GVHVOACGEOQZEN-OLZOCXBDSA-N 1 0 309.322 0.454 20 5 DCBDRO C[C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000562993579 396691451 /nfs/dbraw/zinc/69/14/51/396691451.db2.gz JSPUQJWPHQLQEJ-SNVBAGLBSA-N 1 0 302.352 0.996 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596052170 396711915 /nfs/dbraw/zinc/71/19/15/396711915.db2.gz TXLIRHOPOJAWFZ-LBPRGKRZSA-N 1 0 315.351 0.634 20 5 DCBDRO CC[NH+]1CCN(CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000596073829 396715005 /nfs/dbraw/zinc/71/50/05/396715005.db2.gz BILRMJAZWSWQMO-UHFFFAOYSA-N 1 0 321.381 0.743 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596124925 396720616 /nfs/dbraw/zinc/72/06/16/396720616.db2.gz ZZFNFOOBPZELLU-GFCCVEGCSA-N 1 0 321.381 0.912 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(c3cc[nH]c(=O)c3[N+](=O)[O-])C2)CC1 ZINC000596124926 396720713 /nfs/dbraw/zinc/72/07/13/396720713.db2.gz ZZFNFOOBPZELLU-LBPRGKRZSA-N 1 0 321.381 0.912 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CC[NH2+]CC1 ZINC000314217389 396777515 /nfs/dbraw/zinc/77/75/15/396777515.db2.gz AVAHTXRNRZQEFJ-UHFFFAOYSA-N 1 0 306.366 0.928 20 5 DCBDRO C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC[C@H]1O ZINC000563810610 396782189 /nfs/dbraw/zinc/78/21/89/396782189.db2.gz IVUHURAWNXFVGB-BFHYXJOUSA-N 1 0 312.370 0.683 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563438383 396736597 /nfs/dbraw/zinc/73/65/97/396736597.db2.gz CZXPKKSARFZORE-QWHCGFSZSA-N 1 0 320.349 0.347 20 5 DCBDRO COC(=O)Cc1ccc(N[C@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596242340 396742537 /nfs/dbraw/zinc/74/25/37/396742537.db2.gz DQKMVRFDXZRMQS-NSHDSACASA-N 1 0 311.338 0.645 20 5 DCBDRO COc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000321611222 396817197 /nfs/dbraw/zinc/81/71/97/396817197.db2.gz LVGVZGYRZUFBNQ-CQSZACIVSA-N 1 0 320.349 0.993 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600537337 396887389 /nfs/dbraw/zinc/88/73/89/396887389.db2.gz ZTOZNSFJPGHMKH-LLVKDONJSA-N 1 0 323.349 0.790 20 5 DCBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000591306269 396899988 /nfs/dbraw/zinc/89/99/88/396899988.db2.gz HDIMMDXNLDQSDW-CABZTGNLSA-N 1 0 324.312 0.692 20 5 DCBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1COCCN1 ZINC000600678704 396915693 /nfs/dbraw/zinc/91/56/93/396915693.db2.gz SSSLSEGYSWQPDQ-WCQYABFASA-N 1 0 322.365 0.890 20 5 DCBDRO CCN(CC[NH3+])CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000600717437 396928461 /nfs/dbraw/zinc/92/84/61/396928461.db2.gz AFRVYHCLVVKETD-UHFFFAOYSA-N 1 0 301.368 0.649 20 5 DCBDRO C[NH+]1CCC2(CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000376637376 396955394 /nfs/dbraw/zinc/95/53/94/396955394.db2.gz RFCPSYDNUVVPPD-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO CN1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000571743775 396982039 /nfs/dbraw/zinc/98/20/39/396982039.db2.gz QFXRROIXFFKTBV-GFCCVEGCSA-N 1 0 311.317 0.841 20 5 DCBDRO O=C(CC[NH2+]CCn1cc([N+](=O)[O-])cn1)Nc1cccnc1 ZINC000591756709 396996979 /nfs/dbraw/zinc/99/69/79/396996979.db2.gz SPWZOCXHAPTRKI-UHFFFAOYSA-N 1 0 304.310 0.805 20 5 DCBDRO Cc1c(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000572016422 397014361 /nfs/dbraw/zinc/01/43/61/397014361.db2.gz VDVVJHJHOQIMCI-OLZOCXBDSA-N 1 0 304.350 0.647 20 5 DCBDRO C[NH+](C)C1(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000597752751 397089125 /nfs/dbraw/zinc/08/91/25/397089125.db2.gz GTHFNNMCOKOFCG-UHFFFAOYSA-N 1 0 319.365 0.733 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000619488980 397137829 /nfs/dbraw/zinc/13/78/29/397137829.db2.gz VJZZZJSSSRGVAL-UHFFFAOYSA-N 1 0 317.367 0.786 20 5 DCBDRO CNc1ccc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592310769 397150565 /nfs/dbraw/zinc/15/05/65/397150565.db2.gz YNFSDBNRPMYHOT-RNCFNFMXSA-N 1 0 308.338 0.825 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613014674 397180038 /nfs/dbraw/zinc/18/00/38/397180038.db2.gz UVJJEPPUKJMPAA-OAHLLOKOSA-N 1 0 323.349 0.522 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](O)C(F)(F)F ZINC000592431368 397175000 /nfs/dbraw/zinc/17/50/00/397175000.db2.gz XPXKADYIAFWSGR-ZQARSLAVSA-N 1 0 312.248 0.054 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475120 397185198 /nfs/dbraw/zinc/18/51/98/397185198.db2.gz SIBKPGJUORIJPY-RISCZKNCSA-N 1 0 322.365 0.606 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000592491273 397191377 /nfs/dbraw/zinc/19/13/77/397191377.db2.gz IYPFFTKSLPAWJH-ZDUSSCGKSA-N 1 0 323.349 0.940 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592552683 397212233 /nfs/dbraw/zinc/21/22/33/397212233.db2.gz GKYJREOXSCWAEO-LLVKDONJSA-N 1 0 322.321 0.154 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000592555603 397213616 /nfs/dbraw/zinc/21/36/16/397213616.db2.gz XTFFWBCGRXZXML-SECBINFHSA-N 1 0 313.335 0.633 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364082606 397180520 /nfs/dbraw/zinc/18/05/20/397180520.db2.gz FZSJYJUWFXVXKL-RYUDHWBXSA-N 1 0 307.354 0.843 20 5 DCBDRO [NH3+]C[C@@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598662501 397270336 /nfs/dbraw/zinc/27/03/36/397270336.db2.gz PRLBMRKEKFCOOI-JTQLQIEISA-N 1 0 321.337 0.524 20 5 DCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598668198 397272748 /nfs/dbraw/zinc/27/27/48/397272748.db2.gz MPBHAOVMVLJQDT-ZJUUUORDSA-N 1 0 323.353 0.958 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)c([N+](=O)[O-])c1 ZINC000385055615 397282875 /nfs/dbraw/zinc/28/28/75/397282875.db2.gz UANBXMGDVOLALT-UHFFFAOYSA-N 1 0 315.351 0.714 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598901913 397305550 /nfs/dbraw/zinc/30/55/50/397305550.db2.gz VODIOGLQPVVCDC-UHFFFAOYSA-N 1 0 323.353 0.736 20 5 DCBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914064 397306725 /nfs/dbraw/zinc/30/67/25/397306725.db2.gz WUHGWKKXKUFMQL-ZJUUUORDSA-N 1 0 306.322 0.729 20 5 DCBDRO [NH3+][C@H]1C[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598913274 397306849 /nfs/dbraw/zinc/30/68/49/397306849.db2.gz HQSUQASPLBDELR-RYUDHWBXSA-N 1 0 318.333 0.919 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000598915190 397307854 /nfs/dbraw/zinc/30/78/54/397307854.db2.gz JURQVJNBXWPAIU-GFCCVEGCSA-N 1 0 318.333 0.792 20 5 DCBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCC2)ncnc1N1CCOCC1 ZINC000598588936 397251579 /nfs/dbraw/zinc/25/15/79/397251579.db2.gz LZNWPMRUNKBPMY-UHFFFAOYSA-N 1 0 322.369 0.729 20 5 DCBDRO CCCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828308 397259260 /nfs/dbraw/zinc/25/92/60/397259260.db2.gz GFKGERIDWHPEMM-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO CN(CC[NH+]1CCCCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000593882405 397466909 /nfs/dbraw/zinc/46/69/09/397466909.db2.gz FZGNJFVPIQLEBY-UHFFFAOYSA-N 1 0 322.365 0.701 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000602773456 397480861 /nfs/dbraw/zinc/48/08/61/397480861.db2.gz TWWMVCBLAODCKS-KBPBESRZSA-N 1 0 323.397 0.631 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cn1C ZINC000578913059 397501830 /nfs/dbraw/zinc/50/18/30/397501830.db2.gz JUOBTUFQIMOEQO-UHFFFAOYSA-N 1 0 311.386 0.547 20 5 DCBDRO [NH3+][C@H](CNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000578986769 397509583 /nfs/dbraw/zinc/50/95/83/397509583.db2.gz XWEZILFYVSKXOL-LLVKDONJSA-N 1 0 307.306 0.833 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cnc2sc([N+](=O)[O-])cc2c1=O)C1CC1 ZINC000578988291 397509646 /nfs/dbraw/zinc/50/96/46/397509646.db2.gz JQKXPBLOCZQRMN-VIFPVBQESA-N 1 0 324.362 0.821 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1 ZINC000579375659 397562801 /nfs/dbraw/zinc/56/28/01/397562801.db2.gz QBTYSLDFNYYNQY-ZYHUDNBSSA-N 1 0 318.333 0.287 20 5 DCBDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000579467465 397571469 /nfs/dbraw/zinc/57/14/69/397571469.db2.gz GPOKJURSHBWSBD-ZDUSSCGKSA-N 1 0 320.349 0.469 20 5 DCBDRO O=[N+]([O-])c1cccc(Cn2cc(CN3CC[NH2+]CC3)nn2)c1 ZINC000603161414 397577151 /nfs/dbraw/zinc/57/71/51/397577151.db2.gz JNYJGEKQYGETFV-UHFFFAOYSA-N 1 0 302.338 0.640 20 5 DCBDRO COc1ccc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000599770600 397524659 /nfs/dbraw/zinc/52/46/59/397524659.db2.gz OSYPSASZGVCLCO-NSHDSACASA-N 1 0 324.337 0.792 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000131513994 158302733 /nfs/dbraw/zinc/30/27/33/158302733.db2.gz QKWYCWJJCPOYHG-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000169186983 158373672 /nfs/dbraw/zinc/37/36/72/158373672.db2.gz YMNJARHRCVEBMH-MFKMUULPSA-N 1 0 307.354 0.986 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171453620 158383173 /nfs/dbraw/zinc/38/31/73/158383173.db2.gz GVHGVWUHEXSOBT-GFCCVEGCSA-N 1 0 307.354 0.796 20 5 DCBDRO Nc1c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806258 159011825 /nfs/dbraw/zinc/01/18/25/159011825.db2.gz YHWIKHHBYHWKDM-WDEREUQCSA-N 1 0 320.349 0.770 20 5 DCBDRO CC[N@@H+]1C[C@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000330588480 159198415 /nfs/dbraw/zinc/19/84/15/159198415.db2.gz UEDCRTRZWWYGCB-SGMGOOAPSA-N 1 0 311.386 0.567 20 5 DCBDRO COc1ccc(NC(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000359267804 159258250 /nfs/dbraw/zinc/25/82/50/159258250.db2.gz AWXOGNQFNIJDRD-GHMZBOCLSA-N 1 0 320.349 0.693 20 5 DCBDRO O=C1[C@@H](N2C[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000359273951 159259547 /nfs/dbraw/zinc/25/95/47/159259547.db2.gz JWQIZNVWJVDDIL-ZOWXZIJZSA-N 1 0 316.361 0.851 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000368404212 159392261 /nfs/dbraw/zinc/39/22/61/159392261.db2.gz KIHDZTBJACZHEP-OLZOCXBDSA-N 1 0 309.370 0.322 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+]Cc2cc[nH]c2)c1 ZINC000086252007 286930882 /nfs/dbraw/zinc/93/08/82/286930882.db2.gz HMBTUYAWFSQDFH-UHFFFAOYSA-N 1 0 324.362 0.991 20 5 DCBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246453892 287083588 /nfs/dbraw/zinc/08/35/88/287083588.db2.gz FCLGNOYTVILFRD-CMPLNLGQSA-N 1 0 312.326 0.180 20 5 DCBDRO COC[C@@]1(CNC(=O)COc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000357269003 287204856 /nfs/dbraw/zinc/20/48/56/287204856.db2.gz IFGQMDNFKDBBBF-HNNXBMFYSA-N 1 0 323.349 0.858 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419241328 287276617 /nfs/dbraw/zinc/27/66/17/287276617.db2.gz BVEGJRAHABKNOR-QWRGUYRKSA-N 1 0 322.365 0.886 20 5 DCBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352646545 415264908 /nfs/dbraw/zinc/26/49/08/415264908.db2.gz POSSNMNQGGCEJC-JTQLQIEISA-N 1 0 311.342 0.501 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000353021376 415409217 /nfs/dbraw/zinc/40/92/17/415409217.db2.gz JTDVFVVYBUUGCW-KOLCDFICSA-N 1 0 320.296 0.713 20 5 DCBDRO C[C@H](CN1CCOCC1)NC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000068203337 415387872 /nfs/dbraw/zinc/38/78/72/415387872.db2.gz YKELJTUJAYLNOZ-GFCCVEGCSA-N 1 0 322.365 0.844 20 5 DCBDRO COCC[N@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075637735 415449808 /nfs/dbraw/zinc/44/98/08/415449808.db2.gz NZQHMFGSMMNSCR-ZDUSSCGKSA-N 1 0 300.359 0.757 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000108328401 415678230 /nfs/dbraw/zinc/67/82/30/415678230.db2.gz XOWWAUGTSKODEY-NSHDSACASA-N 1 0 309.370 0.984 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000290368005 415797862 /nfs/dbraw/zinc/79/78/62/415797862.db2.gz ASLPLCZTUNEIBA-UHFFFAOYSA-N 1 0 323.397 0.790 20 5 DCBDRO C[NH+]1CCC(n2ccc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n2)CC1 ZINC000355505535 415864287 /nfs/dbraw/zinc/86/42/87/415864287.db2.gz RFDLDVPWYWDRDC-UHFFFAOYSA-N 1 0 319.325 1.033 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153148237 415977575 /nfs/dbraw/zinc/97/75/75/415977575.db2.gz GHOVTTKUWNYVTJ-HNNXBMFYSA-N 1 0 324.381 0.703 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000356727042 415977638 /nfs/dbraw/zinc/97/76/38/415977638.db2.gz BXPJPMWQVSZKMX-MNOVXSKESA-N 1 0 307.354 0.885 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000153297109 415979194 /nfs/dbraw/zinc/97/91/94/415979194.db2.gz SZDBKMZIRQUSCZ-CQSZACIVSA-N 1 0 321.337 0.514 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000356738564 415980299 /nfs/dbraw/zinc/98/02/99/415980299.db2.gz MUINSLXKRCTYFC-LLVKDONJSA-N 1 0 323.353 0.123 20 5 DCBDRO C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1C[NH2+]C1 ZINC000357237884 416049396 /nfs/dbraw/zinc/04/93/96/416049396.db2.gz HOJQBMVNHKHMLG-PWSUYJOCSA-N 1 0 319.365 0.858 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000299921927 416070538 /nfs/dbraw/zinc/07/05/38/416070538.db2.gz RBUBNGYMZBNWNF-GXFFZTMASA-N 1 0 311.363 0.967 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000302123195 416097780 /nfs/dbraw/zinc/09/77/80/416097780.db2.gz HFDMKPMWRNZFSL-SECBINFHSA-N 1 0 314.367 0.748 20 5 DCBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357925126 416154110 /nfs/dbraw/zinc/15/41/10/416154110.db2.gz MVQZDDMWPFKFHW-GFCCVEGCSA-N 1 0 324.385 0.957 20 5 DCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000345967335 416177070 /nfs/dbraw/zinc/17/70/70/416177070.db2.gz SAVVFXMKRWJVOR-RYUDHWBXSA-N 1 0 322.365 0.698 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000358043830 416177292 /nfs/dbraw/zinc/17/72/92/416177292.db2.gz AWRXVHGETFYJAJ-HNNXBMFYSA-N 1 0 318.333 0.873 20 5 DCBDRO CC(C)c1n[nH]c(C(=O)NCCOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000345970695 416177497 /nfs/dbraw/zinc/17/74/97/416177497.db2.gz XPQKBVLLQXYWFC-UHFFFAOYSA-N 1 0 313.358 0.749 20 5 DCBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000178937852 416177729 /nfs/dbraw/zinc/17/77/29/416177729.db2.gz ZQEAPGVDDAUQEZ-MRVPVSSYSA-N 1 0 305.381 0.886 20 5 DCBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@@H](C[NH3+])C1 ZINC000358129025 416197381 /nfs/dbraw/zinc/19/73/81/416197381.db2.gz UIJOBBFAEHJHQU-MNOVXSKESA-N 1 0 308.338 0.581 20 5 DCBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331295264 416305465 /nfs/dbraw/zinc/30/54/65/416305465.db2.gz SJNHHSNFBGFALP-MHDGFBEUSA-N 1 0 312.370 0.634 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000192471556 416305671 /nfs/dbraw/zinc/30/56/71/416305671.db2.gz FSNOACBKLYVQAB-BETUJISGSA-N 1 0 321.381 0.818 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3N)C[C@H]2C1 ZINC000192515248 416307532 /nfs/dbraw/zinc/30/75/32/416307532.db2.gz GJWLQFTUOAVNSX-DTORHVGOSA-N 1 0 308.313 0.950 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415409843 416341584 /nfs/dbraw/zinc/34/15/84/416341584.db2.gz DVHBWTWKKBGJJR-SNVBAGLBSA-N 1 0 320.349 0.970 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415415219 416342098 /nfs/dbraw/zinc/34/20/98/416342098.db2.gz HOKATXWBJMLLFD-VIFPVBQESA-N 1 0 308.338 0.901 20 5 DCBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415731984 416352460 /nfs/dbraw/zinc/35/24/60/416352460.db2.gz VVHPRHSPRNBVGG-RDDDGLTNSA-N 1 0 310.285 0.621 20 5 DCBDRO C[NH+](C)[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@H]1O ZINC000359965989 416367029 /nfs/dbraw/zinc/36/70/29/416367029.db2.gz ILDOJNMEIMUTJS-NWDGAFQWSA-N 1 0 303.322 0.649 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000419763711 416409514 /nfs/dbraw/zinc/40/95/14/416409514.db2.gz VCNCZWOEYUCRML-LBPRGKRZSA-N 1 0 320.349 0.373 20 5 DCBDRO [NH3+][C@@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H]1c1ccccc1 ZINC000423600994 416524091 /nfs/dbraw/zinc/52/40/91/416524091.db2.gz BLIRBZOCGUPKIT-WDEREUQCSA-N 1 0 301.306 0.885 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435246649 416515992 /nfs/dbraw/zinc/51/59/92/416515992.db2.gz RTBYCOJGWFBSQK-LLVKDONJSA-N 1 0 306.322 0.109 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435245791 416516605 /nfs/dbraw/zinc/51/66/05/416516605.db2.gz DNSVUWXGOYQQFS-GFCCVEGCSA-N 1 0 307.354 0.843 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595952983 416573141 /nfs/dbraw/zinc/57/31/41/416573141.db2.gz VYEBPTDHOWCTOT-KWQFWETISA-N 1 0 305.294 0.773 20 5 DCBDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000440747867 416646391 /nfs/dbraw/zinc/64/63/91/416646391.db2.gz NQEJCZSZULJKDB-MRVPVSSYSA-N 1 0 310.335 0.769 20 5 DCBDRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000442180086 416688470 /nfs/dbraw/zinc/68/84/70/416688470.db2.gz BHLQACOARCAOKB-UHFFFAOYSA-N 1 0 324.337 0.276 20 5 DCBDRO CN1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000516465381 416724803 /nfs/dbraw/zinc/72/48/03/416724803.db2.gz UICPBIUZCZRYAZ-GFCCVEGCSA-N 1 0 308.338 0.075 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000370044782 416873604 /nfs/dbraw/zinc/87/36/04/416873604.db2.gz HPFFUELJKSKINL-GFCCVEGCSA-N 1 0 309.370 0.482 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCN(C3CCCC3)C2)c1 ZINC000520396785 416961610 /nfs/dbraw/zinc/96/16/10/416961610.db2.gz LYHKYILAXJRTMN-DOMZBBRYSA-N 1 0 323.397 0.759 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000429032100 416941120 /nfs/dbraw/zinc/94/11/20/416941120.db2.gz WFAVJCYGXUNWSH-QWRGUYRKSA-N 1 0 324.385 0.634 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000565330695 416966974 /nfs/dbraw/zinc/96/69/74/416966974.db2.gz BHLHXJFYQFLIKU-NWDGAFQWSA-N 1 0 307.354 0.795 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373884108 416967641 /nfs/dbraw/zinc/96/76/41/416967641.db2.gz CLJAACZDLVPESM-GHMZBOCLSA-N 1 0 311.363 0.967 20 5 DCBDRO O=C(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)NCC1CC1 ZINC000520799583 416977194 /nfs/dbraw/zinc/97/71/94/416977194.db2.gz PKCZVFIQVUFUIZ-ZDUSSCGKSA-N 1 0 323.349 0.450 20 5 DCBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1CC[NH2+]C1 ZINC000565535017 416987434 /nfs/dbraw/zinc/98/74/34/416987434.db2.gz YJLDEYKHXPLMII-SECBINFHSA-N 1 0 307.306 0.800 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000565950280 417036599 /nfs/dbraw/zinc/03/65/99/417036599.db2.gz AWECCNQJLUJZTJ-SKDRFNHKSA-N 1 0 309.326 0.286 20 5 DCBDRO CC1(C(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)C[NH2+]C1 ZINC000566169583 417041565 /nfs/dbraw/zinc/04/15/65/417041565.db2.gz KNCGCDYBPRLGBT-UHFFFAOYSA-N 1 0 301.306 1.533 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000381446275 417087810 /nfs/dbraw/zinc/08/78/10/417087810.db2.gz GBMRFPLKSGNOAD-JGVFFNPUSA-N 1 0 303.340 0.617 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](C[NH3+])C1 ZINC000430958733 417092877 /nfs/dbraw/zinc/09/28/77/417092877.db2.gz ZFZLTNOTNOKDHC-SNVBAGLBSA-N 1 0 308.338 0.823 20 5 DCBDRO C[N@H+](CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000525641179 417141176 /nfs/dbraw/zinc/14/11/76/417141176.db2.gz YPCGZLRENAMAQJ-UHFFFAOYSA-N 1 0 300.340 0.362 20 5 DCBDRO Cc1nc(NC[C@@H](O)C[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000450329873 417215811 /nfs/dbraw/zinc/21/58/11/417215811.db2.gz SBQWEQLDFNVEIU-GFCCVEGCSA-N 1 0 309.370 1.198 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000449698022 417167247 /nfs/dbraw/zinc/16/72/47/417167247.db2.gz MXZIXSONGLNXHN-NSHDSACASA-N 1 0 307.354 0.027 20 5 DCBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415269628 417350111 /nfs/dbraw/zinc/35/01/11/417350111.db2.gz LLFUGUMDXDJLNV-VIFPVBQESA-N 1 0 310.285 0.622 20 5 DCBDRO COC(=O)COc1ccc(CNC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414884491 417313197 /nfs/dbraw/zinc/31/31/97/417313197.db2.gz FJPYXDJERFSYEX-GFCCVEGCSA-N 1 0 323.349 0.974 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000415387090 417378641 /nfs/dbraw/zinc/37/86/41/417378641.db2.gz XGMNSNIYOPUURB-JTQLQIEISA-N 1 0 306.322 0.710 20 5 DCBDRO CC(C)[N@@H+]1CC[C@H](N(C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000452111961 417455479 /nfs/dbraw/zinc/45/54/79/417455479.db2.gz DKNGGVZXLDPMRN-JSGCOSHPSA-N 1 0 311.386 0.567 20 5 DCBDRO C[N@@H+]1CCC[C@H](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000572377529 417458269 /nfs/dbraw/zinc/45/82/69/417458269.db2.gz HLMILYKPURDCOG-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000575332048 417529411 /nfs/dbraw/zinc/52/94/11/417529411.db2.gz MLVVYNMVPAROIM-UWVGGRQHSA-N 1 0 306.322 0.250 20 5 DCBDRO CN(C)C(=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000576220223 417590672 /nfs/dbraw/zinc/59/06/72/417590672.db2.gz HGSMDIIZZVRNGF-NSHDSACASA-N 1 0 311.338 0.402 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000576450763 417608504 /nfs/dbraw/zinc/60/85/04/417608504.db2.gz RCQQODXHBHPCSX-SNVBAGLBSA-N 1 0 308.338 0.325 20 5 DCBDRO NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCC1 ZINC000299276565 229022809 /nfs/dbraw/zinc/02/28/09/229022809.db2.gz ZPTDCHQXLJHLKJ-UHFFFAOYSA-N 1 0 314.367 0.750 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000355333829 261332145 /nfs/dbraw/zinc/33/21/45/261332145.db2.gz IASCGQIGRFXLOW-UHFFFAOYSA-N 1 0 307.354 0.868 20 5 DCBDRO CCOCC[N@@H+]1CCN(Cc2c([N+](=O)[O-])ncn2C)C[C@H]1C ZINC000355941074 261377809 /nfs/dbraw/zinc/37/78/09/261377809.db2.gz YTQHDJHLXZWKJC-GFCCVEGCSA-N 1 0 311.386 0.871 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360831803 261880996 /nfs/dbraw/zinc/88/09/96/261880996.db2.gz IHHPTRSPTHCABG-CQSZACIVSA-N 1 0 307.354 0.702 20 5 DCBDRO CCc1n[nH]c(C(=O)NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000362346316 262023716 /nfs/dbraw/zinc/02/37/16/262023716.db2.gz LHQWHWCKMMQCAZ-UHFFFAOYSA-N 1 0 324.385 0.248 20 5 DCBDRO [NH3+]C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000417905852 262264769 /nfs/dbraw/zinc/26/47/69/262264769.db2.gz DERZYWNCEDHVOB-ZDUSSCGKSA-N 1 0 324.385 0.998 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418757734 262287658 /nfs/dbraw/zinc/28/76/58/262287658.db2.gz DYKVHUSFAGPSIW-AWEZNQCLSA-N 1 0 320.349 0.651 20 5 DCBDRO [NH3+]C[C@H](NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418862426 262293656 /nfs/dbraw/zinc/29/36/56/262293656.db2.gz GCNFSCJCEZEPAQ-ZDUSSCGKSA-N 1 0 320.349 0.107 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419132258 262312234 /nfs/dbraw/zinc/31/22/34/262312234.db2.gz DTPUWWZFOVDPIF-SKDRFNHKSA-N 1 0 320.349 0.626 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000420141516 262362976 /nfs/dbraw/zinc/36/29/76/262362976.db2.gz JHHIXEABFJCSLD-JTQLQIEISA-N 1 0 320.349 0.204 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000420276974 262368536 /nfs/dbraw/zinc/36/85/36/262368536.db2.gz PTAUTYDINCVJNG-NSHDSACASA-N 1 0 319.365 0.795 20 5 DCBDRO CO[C@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359242351 271110827 /nfs/dbraw/zinc/11/08/27/271110827.db2.gz PPCCLPBIWHOGJP-NEPJUHHUSA-N 1 0 323.349 0.938 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000449564811 271852396 /nfs/dbraw/zinc/85/23/96/271852396.db2.gz DDIOZVGSAIWRCR-RTUWITSCSA-N 1 0 319.317 0.243 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557675 272134906 /nfs/dbraw/zinc/13/49/06/272134906.db2.gz DBGKVTULNMSUIN-SZTZYQKNSA-N 1 0 305.334 0.791 20 5 DCBDRO O=[N+]([O-])c1c(N2CCC[N@@H+](CCO)CC2)nc2sccn21 ZINC000071349554 275032689 /nfs/dbraw/zinc/03/26/89/275032689.db2.gz OOAQCRMFESFSIU-UHFFFAOYSA-N 1 0 311.367 0.808 20 5 DCBDRO C[NH+](C)CCOC1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000330598514 276791914 /nfs/dbraw/zinc/79/19/14/276791914.db2.gz DKLFKTOVJIXKTC-UHFFFAOYSA-N 1 0 311.342 0.501 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422747927 279971259 /nfs/dbraw/zinc/97/12/59/279971259.db2.gz RENCCVHBJPEPAB-NSHDSACASA-N 1 0 320.349 0.523 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](C)C ZINC000552083216 288264238 /nfs/dbraw/zinc/26/42/38/288264238.db2.gz WRCBGAJBBAJVRN-SNVBAGLBSA-N 1 0 308.338 0.391 20 5 DCBDRO CNc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000554295668 288317509 /nfs/dbraw/zinc/31/75/09/288317509.db2.gz VXRGVACOKTXGGK-UHFFFAOYSA-N 1 0 321.381 0.662 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2COCCO2)c1 ZINC000555575437 288357282 /nfs/dbraw/zinc/35/72/82/288357282.db2.gz JWOKNEDPMAPTNO-OCCSQVGLSA-N 1 0 312.322 0.340 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000563899343 288713935 /nfs/dbraw/zinc/71/39/35/288713935.db2.gz UEUPQIRVHFUCII-WPRPVWTQSA-N 1 0 324.312 0.491 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000565832218 288881537 /nfs/dbraw/zinc/88/15/37/288881537.db2.gz HZILBJAHGCAVPJ-NWDGAFQWSA-N 1 0 315.333 0.895 20 5 DCBDRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000050241887 303470106 /nfs/dbraw/zinc/47/01/06/303470106.db2.gz ZRZZDORBITZUBN-MRVPVSSYSA-N 1 0 305.743 0.970 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCN1CC[NH2+]CC1 ZINC000314262443 303522424 /nfs/dbraw/zinc/52/24/24/303522424.db2.gz MNPGEPILNAAPNB-UTCJRWHESA-N 1 0 304.350 0.629 20 5 DCBDRO CC(C)(CC(N)=O)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000186261209 332919574 /nfs/dbraw/zinc/91/95/74/332919574.db2.gz XSQJPIVNPGVHPT-JTQLQIEISA-N 1 0 311.338 0.578 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000381446276 332656315 /nfs/dbraw/zinc/65/63/15/332656315.db2.gz GBMRFPLKSGNOAD-SFYZADRCSA-N 1 0 303.340 0.617 20 5 DCBDRO [NH3+][C@H](CO)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001574261974 1159245190 /nfs/dbraw/zinc/24/51/90/1159245190.db2.gz HVHZEPWULYTXRU-SECBINFHSA-N 1 0 307.228 0.549 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000584465016 337346741 /nfs/dbraw/zinc/34/67/41/337346741.db2.gz PEQIGCLYGKOJMU-AWEZNQCLSA-N 1 0 309.370 0.369 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000584520109 337354548 /nfs/dbraw/zinc/35/45/48/337354548.db2.gz BIQZEOUFBSAGNZ-SNVBAGLBSA-N 1 0 320.349 0.191 20 5 DCBDRO Cn1cncc1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000584586757 337369643 /nfs/dbraw/zinc/36/96/43/337369643.db2.gz WQGJPBDRHMXFOI-CYBMUJFWSA-N 1 0 306.322 0.858 20 5 DCBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415626798 534090920 /nfs/dbraw/zinc/09/09/20/534090920.db2.gz RIGFOTZRIXDFED-PRHODGIISA-N 1 0 324.312 0.787 20 5 DCBDRO CC[NH2+]CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000236997737 519922252 /nfs/dbraw/zinc/92/22/52/519922252.db2.gz ZLKWGRMLELFBQT-UHFFFAOYSA-N 1 0 304.310 0.515 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000266448745 520250870 /nfs/dbraw/zinc/25/08/70/520250870.db2.gz WZBABBTWWXLTOV-GFCCVEGCSA-N 1 0 322.365 0.557 20 5 DCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000237941123 534635140 /nfs/dbraw/zinc/63/51/40/534635140.db2.gz SKFOJQALEOKLJH-NSHDSACASA-N 1 0 320.349 0.522 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000266309223 524170654 /nfs/dbraw/zinc/17/06/54/524170654.db2.gz DFXJBDHWFOHGPV-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161410014 524895869 /nfs/dbraw/zinc/89/58/69/524895869.db2.gz MALFJCVRCFPHRP-YPMHNXCESA-N 1 0 324.385 0.773 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247442156 524900007 /nfs/dbraw/zinc/90/00/07/524900007.db2.gz MALFJCVRCFPHRP-DGCLKSJQSA-N 1 0 324.385 0.773 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237359025 525007460 /nfs/dbraw/zinc/00/74/60/525007460.db2.gz UCGJGHIQONTEDD-PWSUYJOCSA-N 1 0 308.338 0.485 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237550457 525345088 /nfs/dbraw/zinc/34/50/88/525345088.db2.gz CQWPKPJTHBSKKH-MWLCHTKSSA-N 1 0 306.322 0.273 20 5 DCBDRO O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CC[NH2+]CC1 ZINC000237884840 526657173 /nfs/dbraw/zinc/65/71/73/526657173.db2.gz FAGMSEWFVFPAHI-UHFFFAOYSA-N 1 0 301.306 0.826 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000157712941 527347114 /nfs/dbraw/zinc/34/71/14/527347114.db2.gz PLIQQRPAJOEIJG-LLVKDONJSA-N 1 0 316.321 0.739 20 5 DCBDRO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736764987 598601971 /nfs/dbraw/zinc/60/19/71/598601971.db2.gz SOBKFMZLCOTJBY-SNVBAGLBSA-N 1 0 303.326 0.915 20 5 DCBDRO C[NH+](C)[C@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C1CC1 ZINC000821581835 606708170 /nfs/dbraw/zinc/70/81/70/606708170.db2.gz VWWYJYWNQHEKKA-SNVBAGLBSA-N 1 0 318.341 0.922 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CCn2cccn2)CC1 ZINC000981137638 661085049 /nfs/dbraw/zinc/08/50/49/661085049.db2.gz BHZYRPOREHOKMC-CHWSQXEVSA-N 1 0 307.354 0.083 20 5 DCBDRO CC(C)n1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001022064173 658821409 /nfs/dbraw/zinc/82/14/09/658821409.db2.gz ZHAZHSDRANLPAR-LYIQGSDWSA-N 1 0 322.369 0.261 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C2(C)CC2)C1 ZINC001022117170 658874387 /nfs/dbraw/zinc/87/43/87/658874387.db2.gz QJMWKEXGYDUACM-AOOOYVTPSA-N 1 0 307.354 0.865 20 5 DCBDRO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sn1 ZINC001025778543 659555240 /nfs/dbraw/zinc/55/52/40/659555240.db2.gz UJKQTLYQBGFHTQ-LBELIVKGSA-N 1 0 322.390 0.663 20 5 DCBDRO COCC[NH+]1CCC(C2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001000151296 665757977 /nfs/dbraw/zinc/75/79/77/665757977.db2.gz SPQFXYXTYVWSMZ-CHWSQXEVSA-N 1 0 311.382 0.659 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@H]1C[C@@H](O)C[N@H+]1C ZINC000924975292 661822686 /nfs/dbraw/zinc/82/26/86/661822686.db2.gz DGBGHDVZAVDHGI-NXEZZACHSA-N 1 0 311.313 0.837 20 5 DCBDRO Cn1nccc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983648459 661997031 /nfs/dbraw/zinc/99/70/31/661997031.db2.gz IZKTUYZFCFGAOJ-FPQZTECRSA-N 1 0 307.354 0.070 20 5 DCBDRO Cc1cnc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nc1 ZINC000983655689 662000954 /nfs/dbraw/zinc/00/09/54/662000954.db2.gz UREYXVDTQCBQPD-FDYHWXHSSA-N 1 0 319.365 0.435 20 5 DCBDRO CCc1nn(C)c(N2CCC(O)(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000894955961 662036597 /nfs/dbraw/zinc/03/65/97/662036597.db2.gz LNBTWOMZNWGTPE-UHFFFAOYSA-N 1 0 311.386 0.784 20 5 DCBDRO NC(=O)C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000984724603 662290846 /nfs/dbraw/zinc/29/08/46/662290846.db2.gz DMPAQFFCBPZXRY-HOMQSWHASA-N 1 0 306.322 0.065 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000237371571 662821525 /nfs/dbraw/zinc/82/15/25/662821525.db2.gz RCPMBGHTUAUCOU-QMMMGPOBSA-N 1 0 315.351 0.323 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1CCN(C(=O)C(F)F)CC1 ZINC000989828041 662982543 /nfs/dbraw/zinc/98/25/43/662982543.db2.gz OWVPXFBGPKVIRO-UHFFFAOYSA-N 1 0 317.296 0.674 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898836037 663109624 /nfs/dbraw/zinc/10/96/24/663109624.db2.gz QFSSYXDJAZTFSV-WDEREUQCSA-N 1 0 307.354 0.931 20 5 DCBDRO CN1CC[C@H]1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905547085 663563387 /nfs/dbraw/zinc/56/33/87/663563387.db2.gz SGWVNRZKAJZOLZ-LBPRGKRZSA-N 1 0 313.379 0.662 20 5 DCBDRO C[C@@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]1 ZINC000911811386 664112031 /nfs/dbraw/zinc/11/20/31/664112031.db2.gz ONKADPGKVBHESA-QMTHXVAHSA-N 1 0 318.333 0.908 20 5 DCBDRO Cn1c(C(=O)N(CCO)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000911936216 664126822 /nfs/dbraw/zinc/12/68/22/664126822.db2.gz ZRFRFXKGZXZWRF-UHFFFAOYSA-N 1 0 310.354 0.462 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C(C)(C)C ZINC000912030945 664133108 /nfs/dbraw/zinc/13/31/08/664133108.db2.gz JMAAOHGARQBUME-JTQLQIEISA-N 1 0 310.358 0.375 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913285200 664297949 /nfs/dbraw/zinc/29/79/49/664297949.db2.gz RWCUWLVVEQQFKE-KBPBESRZSA-N 1 0 307.354 0.742 20 5 DCBDRO O=C(C[NH+]1CCCC1)NC1CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC001031389366 665130766 /nfs/dbraw/zinc/13/07/66/665130766.db2.gz MMNFTXHLBCWQGA-UHFFFAOYSA-N 1 0 318.377 0.991 20 5 DCBDRO Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001031662509 665273426 /nfs/dbraw/zinc/27/34/26/665273426.db2.gz FLDZGLBENITIDG-VXGBXAGGSA-N 1 0 324.406 0.707 20 5 DCBDRO Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC000997770934 665336159 /nfs/dbraw/zinc/33/61/59/665336159.db2.gz CPROWRMYWINWIL-VXGBXAGGSA-N 1 0 322.369 0.107 20 5 DCBDRO CN(CCCC[NH+]1CCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000922330713 666415280 /nfs/dbraw/zinc/41/52/80/666415280.db2.gz YWJUFMDKUCEDDJ-UHFFFAOYSA-N 1 0 324.385 0.911 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C[C@H]21 ZINC000863451175 667146637 /nfs/dbraw/zinc/14/66/37/667146637.db2.gz XFEHYMNDTMZALS-JZYVYDRUSA-N 1 0 317.392 0.837 20 5 DCBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@@H](O)C[NH+](C)C ZINC000865435882 667325343 /nfs/dbraw/zinc/32/53/43/667325343.db2.gz QSUHESLBWPDKDB-ZCFIWIBFSA-N 1 0 311.264 0.682 20 5 DCBDRO Cc1cc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])s1 ZINC000866768074 667396306 /nfs/dbraw/zinc/39/63/06/667396306.db2.gz NBDAHFVBMBZMBY-BDAKNGLRSA-N 1 0 317.392 0.947 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH2+]CCC23CCC3)c1 ZINC000923426227 667531002 /nfs/dbraw/zinc/53/10/02/667531002.db2.gz LTTLXWKFGMSZCE-CYBMUJFWSA-N 1 0 309.370 0.370 20 5 DCBDRO C[C@]12C[NH2+]C[C@H]1CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2 ZINC000923425775 667531053 /nfs/dbraw/zinc/53/10/53/667531053.db2.gz MTWVIPCDSHBDAM-JGGQBBKZSA-N 1 0 321.377 0.876 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000924977302 668257928 /nfs/dbraw/zinc/25/79/28/668257928.db2.gz QBRUQAWQCHMSCU-WDEREUQCSA-N 1 0 311.313 0.458 20 5 DCBDRO CN(C)C(=O)O[C@H]1CCCN(Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000877560345 668628978 /nfs/dbraw/zinc/62/89/78/668628978.db2.gz OBTXQCGWVGBYPS-NSHDSACASA-N 1 0 311.342 0.991 20 5 DCBDRO Cn1cc([C@H](CO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000778135748 668894488 /nfs/dbraw/zinc/89/44/88/668894488.db2.gz FALPUQHJRGQTEZ-UONOGXRCSA-N 1 0 306.322 0.685 20 5 DCBDRO C[C@@](CO)(NC[C@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000879273064 669007259 /nfs/dbraw/zinc/00/72/59/669007259.db2.gz GXTANQQFLKAAIT-HOTGVXAUSA-N 1 0 323.393 0.849 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577161 669067706 /nfs/dbraw/zinc/06/77/06/669067706.db2.gz HCDMRODRQNVWNZ-JSGCOSHPSA-N 1 0 306.366 0.783 20 5 DCBDRO C[NH+](C)C1(C)CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000931351022 669184601 /nfs/dbraw/zinc/18/46/01/669184601.db2.gz DZGCZBPEYFCDCA-CYBMUJFWSA-N 1 0 311.386 0.568 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000932705082 669405788 /nfs/dbraw/zinc/40/57/88/669405788.db2.gz QRNHNFGILHZIJP-UHFFFAOYSA-N 1 0 309.370 0.900 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000935980322 669806316 /nfs/dbraw/zinc/80/63/16/669806316.db2.gz HWOLFMMAXBYOBU-KWCYVHTRSA-N 1 0 307.350 0.737 20 5 DCBDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819066186 671091342 /nfs/dbraw/zinc/09/13/42/671091342.db2.gz ZNMRGMGGIINZKE-SKDRFNHKSA-N 1 0 302.352 0.651 20 5 DCBDRO C[C@H](O)c1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819129835 671097715 /nfs/dbraw/zinc/09/77/15/671097715.db2.gz BXUXFQNBLGZDSW-XHDPSFHLSA-N 1 0 320.349 0.995 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@H]2CCc3nnnn3CC2)cc1 ZINC000819372392 671115064 /nfs/dbraw/zinc/11/50/64/671115064.db2.gz BAFXWOCESWTUNF-AAEUAGOBSA-N 1 0 318.337 0.609 20 5 DCBDRO CC(C)(CCC(=O)NC[C@H](O)C[NH+]1CCCCC1)[N+](=O)[O-] ZINC000823727827 671406533 /nfs/dbraw/zinc/40/65/33/671406533.db2.gz OGXIFGNKDKHTQH-LBPRGKRZSA-N 1 0 301.387 0.785 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827340089 671523735 /nfs/dbraw/zinc/52/37/35/671523735.db2.gz XMGVKGMWFYTQLO-QWRGUYRKSA-N 1 0 307.354 0.803 20 5 DCBDRO CC(C)(CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N+](=O)[O-] ZINC000827342763 671523741 /nfs/dbraw/zinc/52/37/41/671523741.db2.gz OGXIFGNKDKHTQH-GFCCVEGCSA-N 1 0 301.387 0.785 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834825397 671783064 /nfs/dbraw/zinc/78/30/64/671783064.db2.gz CVQALQZICGUEEL-LLVKDONJSA-N 1 0 322.365 0.899 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000841165762 671916927 /nfs/dbraw/zinc/91/69/27/671916927.db2.gz ZBDJPBCAIRKBCE-SECBINFHSA-N 1 0 324.312 0.849 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841200458 671919412 /nfs/dbraw/zinc/91/94/12/671919412.db2.gz BXIGVHZFVIZPRE-SNVBAGLBSA-N 1 0 324.312 0.834 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841989646 671971218 /nfs/dbraw/zinc/97/12/18/671971218.db2.gz VYLXDDTWLGCNGS-NSHDSACASA-N 1 0 307.354 0.774 20 5 DCBDRO Cc1ccccc1[C@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843072086 672058958 /nfs/dbraw/zinc/05/89/58/672058958.db2.gz AAVUTOPCXCKYNI-DZGCQCFKSA-N 1 0 320.349 0.784 20 5 DCBDRO Cn1cc([C@@H](O)C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843094541 672061405 /nfs/dbraw/zinc/06/14/05/672061405.db2.gz UZJRZBDQMMSJSF-KGLIPLIRSA-N 1 0 306.322 0.685 20 5 DCBDRO Cn1cc(C[C@@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000843117453 672063823 /nfs/dbraw/zinc/06/38/23/672063823.db2.gz XYHWXYKORYBSCP-DZGCQCFKSA-N 1 0 320.349 0.555 20 5 DCBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)n1C ZINC000843221884 672071711 /nfs/dbraw/zinc/07/17/11/672071711.db2.gz NCIWRQGBXISZPI-MRVPVSSYSA-N 1 0 308.298 0.218 20 5 DCBDRO Cc1ncccc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001569400036 1161046849 /nfs/dbraw/zinc/04/68/49/1161046849.db2.gz FMFPYJANOYXSNI-CHWSQXEVSA-N 1 0 304.350 0.794 20 5 DCBDRO CC[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](CC)C[NH2+]1 ZINC001573717730 1163540046 /nfs/dbraw/zinc/54/00/46/1163540046.db2.gz HJJCARCQHJUSFE-RYUDHWBXSA-N 1 0 322.365 0.746 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1=NOC2(C[NH2+]C2)C1 ZINC001578496856 1165033423 /nfs/dbraw/zinc/03/34/23/1165033423.db2.gz WYILTPALSDKXAL-UHFFFAOYSA-N 1 0 304.306 0.672 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C1CC1)C1C[NH2+]C1 ZINC001579179295 1165231886 /nfs/dbraw/zinc/23/18/86/1165231886.db2.gz FLDLOZKJYYPIKP-UHFFFAOYSA-N 1 0 320.349 0.978 20 5 DCBDRO NC(=O)c1ccnc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001580107176 1165506138 /nfs/dbraw/zinc/50/61/38/1165506138.db2.gz RHJKNFVLOFPMJX-GHMZBOCLSA-N 1 0 319.365 0.915 20 5 DCBDRO [NH3+][C@@]1(CO)CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC001580154752 1165522099 /nfs/dbraw/zinc/52/20/99/1165522099.db2.gz LZXBJVPIYDIGDD-QZDDGCDVSA-N 1 0 305.334 0.920 20 5 DCBDRO NC[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230060 1165542517 /nfs/dbraw/zinc/54/25/17/1165542517.db2.gz XWKVGZXWVWQAKX-UONOGXRCSA-N 1 0 311.386 0.649 20 5 DCBDRO [NH3+]CC[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc21 ZINC001580289048 1165559763 /nfs/dbraw/zinc/55/97/63/1165559763.db2.gz JQMPQLYZPYWWIX-JTQLQIEISA-N 1 0 316.321 0.666 20 5 DCBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001580569752 1165641151 /nfs/dbraw/zinc/64/11/51/1165641151.db2.gz CZFGXILJLRZDDX-NSHDSACASA-N 1 0 309.297 0.524 20 5 DCBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH2+]C[C@H]1CO ZINC001580810251 1165724901 /nfs/dbraw/zinc/72/49/01/1165724901.db2.gz OSVNBIGORCLHHV-VIFPVBQESA-N 1 0 304.306 0.482 20 5 DCBDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590167039 1166794871 /nfs/dbraw/zinc/79/48/71/1166794871.db2.gz BLPYDFMHFZLRCW-BXKDBHETSA-N 1 0 318.337 0.978 20 5 DCBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001591011497 1167078119 /nfs/dbraw/zinc/07/81/19/1167078119.db2.gz CELROVYMTOAEEG-SECBINFHSA-N 1 0 307.314 0.109 20 5 DCBDRO CN(CC[NH+](C)C)c1cc(F)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591017907 1167082848 /nfs/dbraw/zinc/08/28/48/1167082848.db2.gz WSCVMTIVTQARCP-UHFFFAOYSA-N 1 0 309.305 0.912 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001591181315 1167133830 /nfs/dbraw/zinc/13/38/30/1167133830.db2.gz YJZGPAGZVAYUOK-ZDUSSCGKSA-N 1 0 319.325 0.253 20 5 DCBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001591196794 1167147163 /nfs/dbraw/zinc/14/71/63/1167147163.db2.gz ZLHRXZNSNKIGEW-AOOOYVTPSA-N 1 0 315.337 0.773 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC001593480544 1167869312 /nfs/dbraw/zinc/86/93/12/1167869312.db2.gz BNGOCMDEKJEDDN-LKFCYVNXSA-N 1 0 316.321 0.589 20 5 DCBDRO C[NH+](C)C[C@H](O)CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604681194 1169654163 /nfs/dbraw/zinc/65/41/63/1169654163.db2.gz VFQRLHXKGQRPEW-SECBINFHSA-N 1 0 307.314 0.109 20 5 DCBDRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[C@H]1C[C@@H](O)C1 ZINC001604807818 1169692029 /nfs/dbraw/zinc/69/20/29/1169692029.db2.gz VNGMWVSXQAOCON-WVSHTKLVSA-N 1 0 318.337 0.978 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3cc(-c4nn[nH]n4)ccc3[N+](=O)[O-])C[C@@H]21 ZINC001604867428 1169718879 /nfs/dbraw/zinc/71/88/79/1169718879.db2.gz HQHYDPCCKIFGRC-MFKMUULPSA-N 1 0 315.337 0.915 20 5 DCBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1nn(C)cc1[N+](=O)[O-] ZINC001611904984 1171358149 /nfs/dbraw/zinc/35/81/49/1171358149.db2.gz BHTYROHMRRHWMN-NSHDSACASA-N 1 0 324.385 0.683 20 5 DCBDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1nn(C)cc1[N+](=O)[O-] ZINC001611904979 1171358284 /nfs/dbraw/zinc/35/82/84/1171358284.db2.gz BHTYROHMRRHWMN-LLVKDONJSA-N 1 0 324.385 0.683 20 5 DCBDRO C[C@H]1[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001612939396 1171366389 /nfs/dbraw/zinc/36/63/89/1171366389.db2.gz CHMAUODMQVSLQV-WCBMZHEXSA-N 1 0 314.367 0.747 20 5 DCBDRO C[C@](CO)([NH2+]CCN1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC001620495165 1171403416 /nfs/dbraw/zinc/40/34/16/1171403416.db2.gz HOLWLVBBRQTTFC-CQSZACIVSA-N 1 0 308.338 0.417 20 5 DCBDRO C[C@@H]1[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCS1(=O)=O ZINC001621474790 1171410891 /nfs/dbraw/zinc/41/08/91/1171410891.db2.gz IRYZCBZIKCPRHQ-ANONENCNSA-N 1 0 314.367 0.660 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001628312310 1171524691 /nfs/dbraw/zinc/52/46/91/1171524691.db2.gz HLXJPCLFVXYIAD-SNVBAGLBSA-N 1 0 310.358 0.074 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]32)c(F)c1 ZINC000043592357 1171547084 /nfs/dbraw/zinc/54/70/84/1171547084.db2.gz FNERTXFIEGLAPK-GZMMTYOYSA-N 1 0 315.326 0.716 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@]12CC[N@H+](C1)CCC2 ZINC001631561303 1171595694 /nfs/dbraw/zinc/59/56/94/1171595694.db2.gz JAIIRFXEGZOMET-CQSZACIVSA-N 1 0 305.338 0.788 20 5 DCBDRO C[NH+](C)C[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001638353480 1171795602 /nfs/dbraw/zinc/79/56/02/1171795602.db2.gz QWDHTZJZQOFTAG-NSHDSACASA-N 1 0 308.338 0.167 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001642432044 1171945466 /nfs/dbraw/zinc/94/54/66/1171945466.db2.gz GBOUBXIXWARDBT-JTQLQIEISA-N 1 0 310.354 0.508 20 5 DCBDRO CC[NH+]1CCN(C2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC001647289706 1172786636 /nfs/dbraw/zinc/78/66/36/1172786636.db2.gz HZIDPOYNJZKVTH-UHFFFAOYSA-N 1 0 307.354 0.385 20 5 DCBDRO Cn1cnnc1CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001648374847 1173074186 /nfs/dbraw/zinc/07/41/86/1173074186.db2.gz UMPZUTHVWMVVHF-UHFFFAOYSA-N 1 0 319.369 0.875 20 5 DCBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)CS(N)(=O)=O ZINC001651432932 1173748918 /nfs/dbraw/zinc/74/89/18/1173748918.db2.gz LEJUSINNMXVFPZ-UHFFFAOYSA-N 1 0 301.368 0.999 20 5 DCBDRO O=c1[nH]ccc(N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001651495590 1173749144 /nfs/dbraw/zinc/74/91/44/1173749144.db2.gz XATGLNMDMTUIRQ-GHMZBOCLSA-N 1 0 308.338 0.731 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H](CCO)CC2)c1 ZINC001654767414 1173810829 /nfs/dbraw/zinc/81/08/29/1173810829.db2.gz QVUBTSNPAWJDLC-OCCSQVGLSA-N 1 0 312.370 0.637 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H](CO)[C@@H]3CCCOC3)C2)c1 ZINC001659452866 1173932926 /nfs/dbraw/zinc/93/29/26/1173932926.db2.gz YVAWVPSZSYCNMU-NPZBDFSRSA-N 1 0 310.354 0.872 20 5 DCBDRO COC(=O)CNC(=O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC001660504513 1174002942 /nfs/dbraw/zinc/00/29/42/1174002942.db2.gz BWDAUJRNWNLRPP-LLVKDONJSA-N 1 0 323.349 0.795 20 5 DCBDRO CNC(=O)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090512019 1175412561 /nfs/dbraw/zinc/41/25/61/1175412561.db2.gz HEHVZWIROXANGH-UHFFFAOYSA-N 1 0 308.338 0.215 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cnnn1C ZINC001713587780 1180945604 /nfs/dbraw/zinc/94/56/04/1180945604.db2.gz FCUSUENIHZGHMR-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO O=C(NC/C=C/C[NH2+]CCc1ccns1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715817087 1182023698 /nfs/dbraw/zinc/02/36/98/1182023698.db2.gz PXNMVLIIIXGHFL-NUYITTKVSA-N 1 0 310.379 0.613 20 5 DCBDRO COC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001731894214 1185553522 /nfs/dbraw/zinc/55/35/22/1185553522.db2.gz YEHROLHLLLLJNG-UHFFFAOYSA-N 1 0 324.337 0.499 20 5 DCBDRO COc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732848775 1186010852 /nfs/dbraw/zinc/01/08/52/1186010852.db2.gz NPEZJAVRONAPHE-LLGAQUFESA-N 1 0 320.349 0.517 20 5 DCBDRO CC(C)COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001752843874 1188450190 /nfs/dbraw/zinc/45/01/90/1188450190.db2.gz KAGFHLLGQFTZCP-RGDJUOJXSA-N 1 0 311.382 0.371 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)n1 ZINC001164923552 721860326 /nfs/dbraw/zinc/86/03/26/721860326.db2.gz ASHXNNNMSWCWPR-STQMWFEESA-N 1 0 320.397 0.908 20 5 DCBDRO Cc1ccc(-c2ccc(N3C[C@@H](O)[C@@H]([NH3+])C3)nn2)cc1[N+](=O)[O-] ZINC001167093269 746971243 /nfs/dbraw/zinc/97/12/43/746971243.db2.gz RETXGYHQQIZQIB-SMDDNHRTSA-N 1 0 315.333 0.868 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c2c1CNC2=O ZINC001167900863 748475491 /nfs/dbraw/zinc/47/54/91/748475491.db2.gz GTUULOXXPCRGJC-SNVBAGLBSA-N 1 0 322.321 0.531 20 5 DCBDRO C[NH+](C)CCC(=O)N(CCO)CCNc1ccc([N+](=O)[O-])cc1 ZINC001111553747 761959725 /nfs/dbraw/zinc/95/97/25/761959725.db2.gz RVUIRSFAXIBLJG-UHFFFAOYSA-N 1 0 324.381 0.779 20 5 DCBDRO CCn1nncc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126726492 749672253 /nfs/dbraw/zinc/67/22/53/749672253.db2.gz BHHXMQJNVMWAFK-UHFFFAOYSA-N 1 0 318.337 0.726 20 5 DCBDRO CCn1nncc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126732147 749681438 /nfs/dbraw/zinc/68/14/38/749681438.db2.gz CQTADXIAVLPFAF-UHFFFAOYSA-N 1 0 318.337 0.726 20 5 DCBDRO O=C(NCC[NH2+]CCOc1ccccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938489 750151524 /nfs/dbraw/zinc/15/15/24/750151524.db2.gz BIEKNRLEWQEGFG-ZYHUDNBSSA-N 1 0 311.313 0.576 20 5 DCBDRO C[NH+]1CCN(C(=N)Nc2c[n+]([O-])c(Cl)cc2[N+](=O)[O-])CC1 ZINC001168735717 753974614 /nfs/dbraw/zinc/97/46/14/753974614.db2.gz FHLDWYCPZJIORV-UHFFFAOYSA-N 1 0 314.733 0.476 20 5 DCBDRO [NH3+][C@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]1O ZINC001165147442 757249002 /nfs/dbraw/zinc/24/90/02/757249002.db2.gz IPUYNMQWZLPLFJ-XPUUQOCRSA-N 1 0 308.672 0.696 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001154765909 758819036 /nfs/dbraw/zinc/81/90/36/758819036.db2.gz MCOGXYVDFQWODD-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnccn1 ZINC001122828023 767881175 /nfs/dbraw/zinc/88/11/75/767881175.db2.gz XURMWVWKYLAPQL-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO Cc1c(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)nnn1C ZINC001125170240 768367927 /nfs/dbraw/zinc/36/79/27/768367927.db2.gz STZZESXAEARLEA-UHFFFAOYSA-N 1 0 324.366 0.613 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccc(F)cn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363380 760101387 /nfs/dbraw/zinc/10/13/87/760101387.db2.gz QQIHLIUECOUBIP-ICGCDAGXSA-N 1 0 322.340 0.870 20 5 DCBDRO COc1nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)nc(C)c1[N+](=O)[O-] ZINC001168809811 760465893 /nfs/dbraw/zinc/46/58/93/760465893.db2.gz VRMXJFXKNRZFST-SECBINFHSA-N 1 0 304.310 0.704 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001168809218 760466094 /nfs/dbraw/zinc/46/60/94/760466094.db2.gz PKHXXGCKRHPVAF-MRVPVSSYSA-N 1 0 302.294 0.090 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnon1 ZINC001168876097 760493178 /nfs/dbraw/zinc/49/31/78/760493178.db2.gz YVPXDZJOETXTGJ-UHFFFAOYSA-N 1 0 305.294 0.888 20 5 DCBDRO CC(C)(C)OC(=O)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168998444 760540644 /nfs/dbraw/zinc/54/06/44/760540644.db2.gz NCBJOBDHCNSHCF-DCAQKATOSA-N 1 0 315.370 0.607 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cccnn1 ZINC001169007911 760542431 /nfs/dbraw/zinc/54/24/31/760542431.db2.gz FVACWYLXSSLILW-UHFFFAOYSA-N 1 0 319.325 0.028 20 5 DCBDRO O=C([C@@H]1CCCO1)N1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169009740 760543141 /nfs/dbraw/zinc/54/31/41/760543141.db2.gz XVOWEKGBPDOKMR-MJBXVCDLSA-N 1 0 311.382 0.755 20 5 DCBDRO Cn1cc(-n2nnc3ccc(C[NH3+])cc32)cc([N+](=O)[O-])c1=O ZINC001170024039 761566264 /nfs/dbraw/zinc/56/62/64/761566264.db2.gz SRDCPPKNTUCBKN-UHFFFAOYSA-N 1 0 300.278 0.486 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)C[N@H+](C)C1CCC1 ZINC001129526304 762951750 /nfs/dbraw/zinc/95/17/50/762951750.db2.gz ABOVHKAAKRKRIT-UHFFFAOYSA-N 1 0 324.385 0.018 20 5 DCBDRO CC(C)[N@H+](C)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001100149784 763354080 /nfs/dbraw/zinc/35/40/80/763354080.db2.gz QAGRCGBTRFTRIU-UHFFFAOYSA-N 1 0 309.370 0.882 20 5 DCBDRO CN(CCNC(=O)CCC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC001100286722 763460168 /nfs/dbraw/zinc/46/01/68/763460168.db2.gz LCPNLIPUKTVDBE-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO C[C@H](Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])[C@H]1C[NH2+]CCO1 ZINC001170563884 763840526 /nfs/dbraw/zinc/84/05/26/763840526.db2.gz NTHAZCCFPDHDFW-OIBJUYFYSA-N 1 0 302.718 0.670 20 5 DCBDRO Cn1c(=O)[nH]cc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001132367015 764407565 /nfs/dbraw/zinc/40/75/65/764407565.db2.gz JCBRUBRIPKZOBW-UHFFFAOYSA-N 1 0 319.321 0.554 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001116868796 765921578 /nfs/dbraw/zinc/92/15/78/765921578.db2.gz NKYYQLRAYDXHDJ-UHFFFAOYSA-N 1 0 318.377 0.975 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170872685 766178517 /nfs/dbraw/zinc/17/85/17/766178517.db2.gz UBMWHJJMGBGRDJ-GHMZBOCLSA-N 1 0 319.321 0.806 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001170875358 766194923 /nfs/dbraw/zinc/19/49/23/766194923.db2.gz WAKJAFWMBMEUKU-NXEZZACHSA-N 1 0 320.309 0.201 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC001119242326 766606824 /nfs/dbraw/zinc/60/68/24/766606824.db2.gz ZFCLKNNQZCHLLD-MNOVXSKESA-N 1 0 306.322 0.109 20 5 DCBDRO C[C@@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001120625857 767097938 /nfs/dbraw/zinc/09/79/38/767097938.db2.gz LJDJTQQQGHIFEH-GFCCVEGCSA-N 1 0 321.381 0.860 20 5 DCBDRO CC[N@@H+]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)C1 ZINC001233623968 769413240 /nfs/dbraw/zinc/41/32/40/769413240.db2.gz MLKIORJAODENNA-JTQLQIEISA-N 1 0 315.351 0.715 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2nnnc2C[NH3+])c1F ZINC001173181271 769556389 /nfs/dbraw/zinc/55/63/89/769556389.db2.gz CBIZDVAOVXFYHJ-SSDOTTSWSA-N 1 0 310.289 0.991 20 5 DCBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001173216869 769563683 /nfs/dbraw/zinc/56/36/83/769563683.db2.gz JVTLSKFDMVODSB-OANMRLRGSA-N 1 0 310.350 0.218 20 5 DCBDRO COC(=O)[C@@H](Nc1nc(Cl)ncc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155369454 770478814 /nfs/dbraw/zinc/47/88/14/770478814.db2.gz WDTMBKMRZQOJOQ-ZCFIWIBFSA-N 1 0 303.706 0.729 20 5 DCBDRO O=[N+]([O-])c1cnc(Cl)nc1NCc1nnn2c1C[NH2+]CCC2 ZINC001155391102 770488884 /nfs/dbraw/zinc/48/88/84/770488884.db2.gz UJQRUUZNMPBZKC-UHFFFAOYSA-N 1 0 324.732 0.735 20 5 DCBDRO Nc1nc(NCc2nnn3c2C[NH2+]CCC3)ccc1[N+](=O)[O-] ZINC001155397482 770491343 /nfs/dbraw/zinc/49/13/43/770491343.db2.gz LVTIXRYGQFBCGB-UHFFFAOYSA-N 1 0 304.314 0.269 20 5 DCBDRO Cc1nc(NCc2nnc3n2CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001155425133 770498649 /nfs/dbraw/zinc/49/86/49/770498649.db2.gz UKDZSCBAEDMLTO-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001155429497 770499985 /nfs/dbraw/zinc/49/99/85/770499985.db2.gz MEHIXNABSUXABB-UHFFFAOYSA-N 1 0 304.314 0.269 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2COCCC23C[NH2+]C3)n1 ZINC001155468240 770512103 /nfs/dbraw/zinc/51/21/03/770512103.db2.gz CSQKMWHYEAYNCQ-NSHDSACASA-N 1 0 322.321 0.567 20 5 DCBDRO COc1cc(C)nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001155483601 770519769 /nfs/dbraw/zinc/51/97/69/770519769.db2.gz XGDRVOOUVWSJSV-CKYFFXLPSA-N 1 0 308.338 0.953 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155506091 770529337 /nfs/dbraw/zinc/52/93/37/770529337.db2.gz QXCHYRQXXXFSAW-BWZBUEFSSA-N 1 0 300.702 0.280 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001155527866 770536460 /nfs/dbraw/zinc/53/64/60/770536460.db2.gz RWAJNYOSWXMXJC-WZRBSPASSA-N 1 0 308.338 0.573 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncnc3cccc([N+](=O)[O-])c32)N1 ZINC001155581873 770556540 /nfs/dbraw/zinc/55/65/40/770556540.db2.gz VQUMFIZVXPLJTM-YGRLFVJLSA-N 1 0 314.305 0.528 20 5 DCBDRO O=[N+]([O-])c1c(NCc2cncnc2)ncnc1N1CC[NH2+]CC1 ZINC001156570686 770859102 /nfs/dbraw/zinc/85/91/02/770859102.db2.gz VJHVEKPFJRHNFY-UHFFFAOYSA-N 1 0 316.325 0.197 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001181441980 771292039 /nfs/dbraw/zinc/29/20/39/771292039.db2.gz JFIAISCYVYOJRX-GDPRMGEGSA-N 1 0 306.322 0.765 20 5 DCBDRO COc1nc(NC(=N)SCC[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001157129939 771543843 /nfs/dbraw/zinc/54/38/43/771543843.db2.gz WRJIOWPOUBWFCL-UHFFFAOYSA-N 1 0 302.316 0.441 20 5 DCBDRO CC1(C)C[C@@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])O1 ZINC001157662328 771650874 /nfs/dbraw/zinc/65/08/74/771650874.db2.gz DPATTWVBPAIICS-JTQLQIEISA-N 1 0 322.369 0.774 20 5 DCBDRO COc1nc(N2CC[C@@](F)(C[NH3+])C2)nc(OC)c1[N+](=O)[O-] ZINC001157813031 771675512 /nfs/dbraw/zinc/67/55/12/771675512.db2.gz OFQZHZNQKBDUSC-LLVKDONJSA-N 1 0 301.278 0.279 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001158269326 771750526 /nfs/dbraw/zinc/75/05/26/771750526.db2.gz QPGSJGPQMZJBSB-SNVBAGLBSA-N 1 0 306.370 0.574 20 5 DCBDRO CSc1nc(Cl)nc(-n2nncc2C[NH3+])c1[N+](=O)[O-] ZINC001158422570 771772215 /nfs/dbraw/zinc/77/22/15/771772215.db2.gz BTWFCLODOIGHIU-UHFFFAOYSA-N 1 0 301.719 0.800 20 5 DCBDRO COc1ccc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)nn1 ZINC001158556886 771789563 /nfs/dbraw/zinc/78/95/63/771789563.db2.gz LLDKDIPGNBEVLL-UHFFFAOYSA-N 1 0 317.309 0.482 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001158634231 771796845 /nfs/dbraw/zinc/79/68/45/771796845.db2.gz AIRWTBPPDWMIFL-BXUZGUMPSA-N 1 0 324.312 0.860 20 5 DCBDRO C[N@H+](C1CN(c2nc(Cl)ncc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158726570 771814598 /nfs/dbraw/zinc/81/45/98/771814598.db2.gz SCLVQVWZMRLFMI-QMMMGPOBSA-N 1 0 313.745 0.948 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001159047634 771852979 /nfs/dbraw/zinc/85/29/79/771852979.db2.gz VEBDSAPSQGPSDX-VIFPVBQESA-N 1 0 310.310 0.567 20 5 DCBDRO O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N[C@@H]2C[NH2+]C[C@@H]2CO)c1 ZINC001159672407 771942457 /nfs/dbraw/zinc/94/24/57/771942457.db2.gz POBTWUJAQYDEEP-HZGVNTEJSA-N 1 0 322.699 0.862 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001159861776 771969719 /nfs/dbraw/zinc/96/97/19/771969719.db2.gz ZJDNYXRWVKYJPT-UHFFFAOYSA-N 1 0 317.733 0.675 20 5 DCBDRO [NH3+][C@H]1CC[C@H](N(c2cc([N+](=O)[O-])cc[n+]2[O-])C2COC2)CC1 ZINC001161274895 772195441 /nfs/dbraw/zinc/19/54/41/772195441.db2.gz JNHOQWMQHDFEEL-XYPYZODXSA-N 1 0 308.338 0.703 20 5 DCBDRO COc1cc([N+](=O)[O-])cnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001162965877 772436578 /nfs/dbraw/zinc/43/65/78/772436578.db2.gz AVNCMCNSUDVERG-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO COc1cc([N+](=O)[O-])cnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163011549 772443329 /nfs/dbraw/zinc/44/33/29/772443329.db2.gz SRKRZYFBNSEOKZ-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO Cn1cc(NCC[C@H]2CCOC23C[NH2+]C3)cc([N+](=O)[O-])c1=O ZINC001163088902 772459231 /nfs/dbraw/zinc/45/92/31/772459231.db2.gz IKYJYEXCLLYODA-JTQLQIEISA-N 1 0 308.338 0.474 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)N1 ZINC001163240148 772488004 /nfs/dbraw/zinc/48/80/04/772488004.db2.gz XKHOWNNVQHBVAS-DOMZBBRYSA-N 1 0 317.349 0.859 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3nsnc3c2[N+](=O)[O-])N1 ZINC001163250034 772490661 /nfs/dbraw/zinc/49/06/61/772490661.db2.gz MHPPVTXDOAINAS-PRHODGIISA-N 1 0 320.334 0.590 20 5 DCBDRO CN(c1ccc2cnccc2c1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164297162 772640619 /nfs/dbraw/zinc/64/06/19/772640619.db2.gz LFURHUKMPFBJOQ-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO O=C1NCCN(c2ncc([N+](=O)[O-])c3ccccc32)C12C[NH2+]C2 ZINC001165298257 772719975 /nfs/dbraw/zinc/71/99/75/772719975.db2.gz LVOYZZFEXKIXII-UHFFFAOYSA-N 1 0 313.317 0.421 20 5 DCBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001166700092 772843620 /nfs/dbraw/zinc/84/36/20/772843620.db2.gz CBDMPIGNOYCTDB-QMMMGPOBSA-N 1 0 301.310 0.662 20 5 DCBDRO CS(=O)(=O)N(c1cc([N+](=O)[O-])c2cc[nH]c2n1)C1C[NH2+]C1 ZINC001166970306 772894342 /nfs/dbraw/zinc/89/43/42/772894342.db2.gz JOKCPLIMCAVNAR-UHFFFAOYSA-N 1 0 311.323 0.209 20 5 DCBDRO Cc1c(C[NH2+]C[C@@H](O)CS(C)(=O)=O)cccc1[N+](=O)[O-] ZINC001203889324 772928629 /nfs/dbraw/zinc/92/86/29/772928629.db2.gz DMFGSYYQWOGLPP-LLVKDONJSA-N 1 0 302.352 0.398 20 5 DCBDRO CCN1CC[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC001213512324 773855479 /nfs/dbraw/zinc/85/54/79/773855479.db2.gz LHHBQCCNIQUMPZ-SECBINFHSA-N 1 0 300.340 0.362 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001216474340 774118076 /nfs/dbraw/zinc/11/80/76/774118076.db2.gz LIJANMNJFPFZSG-LLVKDONJSA-N 1 0 322.369 0.087 20 5 DCBDRO COC(=O)Cc1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001223478338 775494042 /nfs/dbraw/zinc/49/40/42/775494042.db2.gz OLEAYCFXNREAJV-OAHLLOKOSA-N 1 0 324.397 0.903 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cc(=O)n2ccccc2n1 ZINC001224260053 775550531 /nfs/dbraw/zinc/55/05/31/775550531.db2.gz ZGXXAQHWKFYXKS-CYBMUJFWSA-N 1 0 320.369 0.195 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Cl)ccc1C(N)=O ZINC001225391227 775673034 /nfs/dbraw/zinc/67/30/34/775673034.db2.gz RPTDJVMCCVBALW-SNVBAGLBSA-O 1 0 315.777 0.802 20 5 DCBDRO Cc1nn[nH]c1C(=O)NCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001266306555 939062340 /nfs/dbraw/zinc/06/23/40/939062340.db2.gz WLMXAGUNHWRXDT-UHFFFAOYSA-N 1 0 318.337 0.883 20 5 DCBDRO CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001266560127 939164156 /nfs/dbraw/zinc/16/41/56/939164156.db2.gz AUGVGRNCGDBWCI-ZIAGYGMSSA-N 1 0 323.397 0.722 20 5 DCBDRO CN(CC[NH2+]CCOc1ccccc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266696390 939212920 /nfs/dbraw/zinc/21/29/20/939212920.db2.gz HICLXLYFXGRZNK-ZIAGYGMSSA-N 1 0 307.350 0.779 20 5 DCBDRO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nc[nH]n1 ZINC001268251370 940005704 /nfs/dbraw/zinc/00/57/04/940005704.db2.gz AKNKLOZKHZZGKR-UHFFFAOYSA-N 1 0 318.337 0.917 20 5 DCBDRO C[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]CC[C@H]1O ZINC001247751816 945572767 /nfs/dbraw/zinc/57/27/67/945572767.db2.gz MHKQSOOMPIXFLO-NOZJJQNGSA-N 1 0 323.284 0.791 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC001321005485 946115155 /nfs/dbraw/zinc/11/51/55/946115155.db2.gz RDSPDQHOAWVVMM-UHFFFAOYSA-N 1 0 318.377 0.596 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3(CO)COC3)CC2)cc1 ZINC001254467080 946396739 /nfs/dbraw/zinc/39/67/39/946396739.db2.gz VRIKPYVVTHRIRH-UHFFFAOYSA-N 1 0 307.350 0.915 20 5 DCBDRO CCOC(=O)CNC(=O)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537771 946407224 /nfs/dbraw/zinc/40/72/24/946407224.db2.gz HMQIDCAILAOTLZ-LLVKDONJSA-N 1 0 323.349 0.795 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCOCCCO)OCCO2 ZINC001324394105 947416100 /nfs/dbraw/zinc/41/61/00/947416100.db2.gz FMZIRVPZLTZLAZ-UHFFFAOYSA-N 1 0 312.322 0.855 20 5 DCBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327583376 948559726 /nfs/dbraw/zinc/55/97/26/948559726.db2.gz KRJRLTPRUFSVHQ-UHFFFAOYSA-N 1 0 320.349 0.633 20 5 DCBDRO C[NH+](C)CC[C@@H](N)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001328839628 949128551 /nfs/dbraw/zinc/12/85/51/949128551.db2.gz FCKQBZAINJMYAP-CQSZACIVSA-N 1 0 306.366 0.759 20 5 DCBDRO C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC001330520540 950478670 /nfs/dbraw/zinc/47/86/70/950478670.db2.gz PVHUSBSQIWKSRL-JTQLQIEISA-N 1 0 322.365 0.968 20 5 DCBDRO C[NH2+]CCOCCNC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001331731700 951277385 /nfs/dbraw/zinc/27/73/85/951277385.db2.gz TWMWIQKNURGFPH-UHFFFAOYSA-N 1 0 322.365 0.899 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCC2 ZINC001331962858 951411007 /nfs/dbraw/zinc/41/10/07/951411007.db2.gz NTABIHJOSSFRFE-ONGXEEELSA-N 1 0 321.341 0.041 20 5 DCBDRO C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC001335368683 952526625 /nfs/dbraw/zinc/52/66/25/952526625.db2.gz RRZULZFRBWZXNU-CJNGLKHVSA-N 1 0 322.409 0.854 20 5 DCBDRO CN(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485167 952543979 /nfs/dbraw/zinc/54/39/79/952543979.db2.gz KVYIAANPIXSRJU-BFHYXJOUSA-N 1 0 323.397 0.615 20 5 DCBDRO CC(C)c1nccn1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001336728975 952757950 /nfs/dbraw/zinc/75/79/50/952757950.db2.gz VLHDSARQEKWVLU-ZDUSSCGKSA-N 1 0 322.369 0.762 20 5 DCBDRO Cc1c(CC(=O)N[C@H]2COC3(C[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC001340736078 953190991 /nfs/dbraw/zinc/19/09/91/953190991.db2.gz RVXSMVCIYSUYFV-GFCCVEGCSA-N 1 0 305.334 0.693 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345993147 953782355 /nfs/dbraw/zinc/78/23/55/953782355.db2.gz MYZMOTJBPDNVKN-VHSXEESVSA-N 1 0 320.349 0.679 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001347386525 954083445 /nfs/dbraw/zinc/08/34/45/954083445.db2.gz YQRPSXRCRRARKF-DOMZBBRYSA-N 1 0 318.377 0.642 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001348603064 954383617 /nfs/dbraw/zinc/38/36/17/954383617.db2.gz AGGQTTSZSPTTFA-CYBMUJFWSA-N 1 0 320.349 0.537 20 5 DCBDRO O=C1CCCN1C[C@H](O)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001349317508 954706035 /nfs/dbraw/zinc/70/60/35/954706035.db2.gz CYHWZDKOHJFBKI-ZIAGYGMSSA-N 1 0 323.349 0.201 20 5 DCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001292957078 957214661 /nfs/dbraw/zinc/21/46/61/957214661.db2.gz XSHBLXQWOHWGFF-UHFFFAOYSA-N 1 0 310.358 0.074 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC001357473009 957295144 /nfs/dbraw/zinc/29/51/44/957295144.db2.gz BKUXKGUXIDBYHH-UHFFFAOYSA-N 1 0 307.354 0.702 20 5 DCBDRO CC(C)[C@H]1CN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001471240058 1016547105 /nfs/dbraw/zinc/54/71/05/1016547105.db2.gz FFVDUMAOKOKKFG-GFCCVEGCSA-N 1 0 307.354 0.984 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001520037868 1017242119 /nfs/dbraw/zinc/24/21/19/1017242119.db2.gz UTMHGMOEMWZJGW-DOMZBBRYSA-N 1 0 318.377 0.642 20 5 DCBDRO CCc1n[nH]c(C(=O)N2CC([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001455808221 1009981550 /nfs/dbraw/zinc/98/15/50/1009981550.db2.gz SBBIBOOQQQBOJO-UHFFFAOYSA-N 1 0 323.353 0.473 20 5 DCBDRO COC[C@@](C)(CO)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001560064922 1012441392 /nfs/dbraw/zinc/44/13/92/1012441392.db2.gz YATLAESZMIWFKA-BXUZGUMPSA-N 1 0 314.338 0.322 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(CCO)[C@H](C)C1 ZINC001562587888 1012491662 /nfs/dbraw/zinc/49/16/62/1012491662.db2.gz VAUCYBRYUDOYNN-LLVKDONJSA-N 1 0 323.353 0.250 20 5 DCBDRO Nc1ncc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC001543013670 1012497955 /nfs/dbraw/zinc/49/79/55/1012497955.db2.gz SIQZKAWSUJNHRF-QWRGUYRKSA-N 1 0 305.338 0.929 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3ncccn3)C2)c1 ZINC001460853402 1012983414 /nfs/dbraw/zinc/98/34/14/1012983414.db2.gz BXIFZVKUQZQIIY-DGCLKSJQSA-N 1 0 318.337 0.432 20 5 DCBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000287179249 219363405 /nfs/dbraw/zinc/36/34/05/219363405.db2.gz ONNQNXMPCBLBNX-VXGBXAGGSA-N 1 0 307.354 0.877 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000331926468 234285964 /nfs/dbraw/zinc/28/59/64/234285964.db2.gz DFOVEIUESSCHIA-ZYHUDNBSSA-N 1 0 323.353 0.356 20 5 DCBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000174127580 198294946 /nfs/dbraw/zinc/29/49/46/198294946.db2.gz GGANYSNMYKEAPQ-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO COc1cc(OCC(=O)N2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000178540933 198885485 /nfs/dbraw/zinc/88/54/85/198885485.db2.gz DTBIDXVFERNDIE-JTQLQIEISA-N 1 0 309.322 0.789 20 5 DCBDRO NC(=O)c1cccc(NC[C@@H](O)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000339969072 283386099 /nfs/dbraw/zinc/38/60/99/283386099.db2.gz MWUCCGVRGKKBOE-LLVKDONJSA-N 1 0 322.365 0.952 20 5 DCBDRO CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566112443 291270659 /nfs/dbraw/zinc/27/06/59/291270659.db2.gz OFYKIEHDYQDUMG-CMPLNLGQSA-N 1 0 314.342 0.330 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](CO)CC(F)F)c1 ZINC000566231142 291285171 /nfs/dbraw/zinc/28/51/71/291285171.db2.gz LFSFWYINTXXYHB-ONGXEEELSA-N 1 0 320.292 0.940 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000420437392 240029963 /nfs/dbraw/zinc/02/99/63/240029963.db2.gz CJHNUVOUNWLIHU-JTQLQIEISA-N 1 0 321.305 0.870 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423570055 240210615 /nfs/dbraw/zinc/21/06/15/240210615.db2.gz WTKZZGCUZXBYTI-UHFFFAOYSA-N 1 0 303.322 0.929 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000567845127 291384373 /nfs/dbraw/zinc/38/43/73/291384373.db2.gz LDVDMUDKUZUEMC-LURJTMIESA-N 1 0 309.248 0.646 20 5 DCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000567880952 291387396 /nfs/dbraw/zinc/38/73/96/291387396.db2.gz PWISBJYSTJKUNE-GHMZBOCLSA-N 1 0 322.365 0.795 20 5 DCBDRO CS[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271769969 209198908 /nfs/dbraw/zinc/19/89/08/209198908.db2.gz IMMOUIITIGCPAA-WPRPVWTQSA-N 1 0 313.383 0.446 20 5 DCBDRO CN1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000569332510 291473672 /nfs/dbraw/zinc/47/36/72/291473672.db2.gz UFHVQLRRRLUNHH-NWDGAFQWSA-N 1 0 323.349 0.545 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000266105521 205101277 /nfs/dbraw/zinc/10/12/77/205101277.db2.gz LPWNWHAJHZTGDP-CYBMUJFWSA-N 1 0 307.350 0.974 20 5 DCBDRO Cc1n[nH]c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000288574863 220251104 /nfs/dbraw/zinc/25/11/04/220251104.db2.gz RDHCIPWARDAENB-SNVBAGLBSA-N 1 0 311.342 0.203 20 5 DCBDRO COC(=O)c1cnc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000039956590 183024589 /nfs/dbraw/zinc/02/45/89/183024589.db2.gz QIVGRQYPWZKBMN-UHFFFAOYSA-N 1 0 323.353 0.436 20 5 DCBDRO C[C@H](Cc1ccncc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000562991409 288613805 /nfs/dbraw/zinc/61/38/05/288613805.db2.gz NZKPVXOGZAOKNA-BXUZGUMPSA-N 1 0 305.338 0.768 20 5 DCBDRO C[N@H+](CCCNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1 ZINC000058074086 184073209 /nfs/dbraw/zinc/07/32/09/184073209.db2.gz OZUOUGMDJKENNZ-UHFFFAOYSA-N 1 0 324.385 0.957 20 5 DCBDRO COc1ccc(S(=O)(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000063020542 184267295 /nfs/dbraw/zinc/26/72/95/184267295.db2.gz BLVQZLDTNNGBTO-UHFFFAOYSA-N 1 0 303.340 0.619 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000063171274 184276069 /nfs/dbraw/zinc/27/60/69/184276069.db2.gz CIORPVXMHDLXMP-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1CC[NH2+]CC1 ZINC000337635878 252878173 /nfs/dbraw/zinc/87/81/73/252878173.db2.gz SLUKKYCCNYAQTD-UHFFFAOYSA-N 1 0 306.322 0.798 20 5 DCBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)N1 ZINC000192682312 296359035 /nfs/dbraw/zinc/35/90/35/296359035.db2.gz RBXWWTVCHGHUJU-CQSZACIVSA-N 1 0 304.306 0.769 20 5 DCBDRO COc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000273010826 210390648 /nfs/dbraw/zinc/39/06/48/210390648.db2.gz ZBEFZSLJFRLFDW-UHFFFAOYSA-N 1 0 310.310 0.220 20 5 DCBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179326 254019522 /nfs/dbraw/zinc/01/95/22/254019522.db2.gz BBOIXLXUNKYSGU-OBJOEFQTSA-N 1 0 321.381 0.980 20 5 DCBDRO C[N@@H+]1CC[C@H](NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000347025248 254122576 /nfs/dbraw/zinc/12/25/76/254122576.db2.gz OUTHVXQOLJSVOK-LBPRGKRZSA-N 1 0 313.379 0.761 20 5 DCBDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000347380380 254152573 /nfs/dbraw/zinc/15/25/73/254152573.db2.gz QSIMWPDQPAKGTH-GFCCVEGCSA-N 1 0 322.369 0.377 20 5 DCBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000349315863 254280327 /nfs/dbraw/zinc/28/03/27/254280327.db2.gz VTZGGAPFVSQICQ-UHFFFAOYSA-N 1 0 310.354 0.888 20 5 DCBDRO C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776506 224214482 /nfs/dbraw/zinc/21/44/82/224214482.db2.gz NMFYTFFBZFFLBS-JTQLQIEISA-N 1 0 308.338 0.686 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000289693703 221160279 /nfs/dbraw/zinc/16/02/79/221160279.db2.gz KBIUNJSTOJNPEE-QWHCGFSZSA-N 1 0 321.381 0.866 20 5 DCBDRO C[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H]1C[NH3+] ZINC000156913256 533657846 /nfs/dbraw/zinc/65/78/46/533657846.db2.gz HHYKCNTWJYWCFV-PWSUYJOCSA-N 1 0 308.338 0.342 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000285108431 131138372 /nfs/dbraw/zinc/13/83/72/131138372.db2.gz MKAAXBUFAAUVKQ-UHFFFAOYSA-N 1 0 323.353 0.502 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285246606 131151206 /nfs/dbraw/zinc/15/12/06/131151206.db2.gz GYHWEGIEPPOVJU-NSHDSACASA-N 1 0 323.349 0.747 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1COC[C@H]1O ZINC000285510465 131176301 /nfs/dbraw/zinc/17/63/01/131176301.db2.gz JUHQOBRTCUGKLT-CHWSQXEVSA-N 1 0 309.322 0.533 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1COCCN1 ZINC000235786907 395892724 /nfs/dbraw/zinc/89/27/24/395892724.db2.gz LDUXBBFHMKKZTB-SNVBAGLBSA-N 1 0 315.351 0.170 20 5 DCBDRO CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000124310418 395900891 /nfs/dbraw/zinc/90/08/91/395900891.db2.gz ZJZXDCQYCVHKCR-JTQLQIEISA-N 1 0 312.757 0.963 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000055197506 395913522 /nfs/dbraw/zinc/91/35/22/395913522.db2.gz AISBELAUBGIRRY-UHFFFAOYSA-N 1 0 320.393 0.843 20 5 DCBDRO O=C(NCC[NH2+]C1CC1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000238109743 395922261 /nfs/dbraw/zinc/92/22/61/395922261.db2.gz RDZYMMSERSFRQA-UHFFFAOYSA-N 1 0 316.321 0.657 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000247314322 395971527 /nfs/dbraw/zinc/97/15/27/395971527.db2.gz HQSWWDKWCNGQOH-WCQYABFASA-N 1 0 322.365 0.555 20 5 DCBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)CC[C@H]21 ZINC000247967052 395980450 /nfs/dbraw/zinc/98/04/50/395980450.db2.gz GYWZUBYUBZCJPE-NWDGAFQWSA-N 1 0 307.354 0.734 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](CCO)CCO ZINC000154926121 396044418 /nfs/dbraw/zinc/04/44/18/396044418.db2.gz IFKURHVNFGFEPS-UHFFFAOYSA-N 1 0 311.338 0.518 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261705496 396058714 /nfs/dbraw/zinc/05/87/14/396058714.db2.gz OQSWVCBFFBLFPT-SNVBAGLBSA-N 1 0 310.379 0.776 20 5 DCBDRO C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCO1 ZINC000157437084 396063645 /nfs/dbraw/zinc/06/36/45/396063645.db2.gz CNLQXQNBSCSHNE-SMDDNHRTSA-N 1 0 307.350 0.973 20 5 DCBDRO COc1ccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1[N+](=O)[O-] ZINC000261796835 396067156 /nfs/dbraw/zinc/06/71/56/396067156.db2.gz NYARKJOXRYFAOG-AWEZNQCLSA-N 1 0 323.349 0.974 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CCO1 ZINC000163306251 396086647 /nfs/dbraw/zinc/08/66/47/396086647.db2.gz JFRFBWNOIGOXRO-ONGXEEELSA-N 1 0 311.342 0.101 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000071144365 396110256 /nfs/dbraw/zinc/11/02/56/396110256.db2.gz VIUCOEYBEIGCRP-LBPRGKRZSA-N 1 0 313.379 0.966 20 5 DCBDRO COC[C@H]([NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262322435 396123901 /nfs/dbraw/zinc/12/39/01/396123901.db2.gz RHSVJMTUXXULKE-ZDUSSCGKSA-N 1 0 308.338 0.217 20 5 DCBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H](O)[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000278637960 396136602 /nfs/dbraw/zinc/13/66/02/396136602.db2.gz GTTGEIAZXHFHLH-BETUJISGSA-N 1 0 309.322 0.269 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160460482 396074442 /nfs/dbraw/zinc/07/44/42/396074442.db2.gz BNBGWMDJRIHBHO-UHFFFAOYSA-N 1 0 316.321 0.686 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000261906101 396077885 /nfs/dbraw/zinc/07/78/85/396077885.db2.gz XCLIIWUKFGXKHE-LLVKDONJSA-N 1 0 304.350 0.778 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261921937 396079700 /nfs/dbraw/zinc/07/97/00/396079700.db2.gz HYOGEFHPYZAHAR-UHFFFAOYSA-N 1 0 308.294 0.167 20 5 DCBDRO Cn1c(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000262485838 396145871 /nfs/dbraw/zinc/14/58/71/396145871.db2.gz KKRQXDCQUHLZRY-LLVKDONJSA-N 1 0 307.354 0.053 20 5 DCBDRO COC[C@]1(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000262566150 396155992 /nfs/dbraw/zinc/15/59/92/396155992.db2.gz WQOVDSBLGBSXPJ-HNNXBMFYSA-N 1 0 307.350 0.880 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000075505710 396180825 /nfs/dbraw/zinc/18/08/25/396180825.db2.gz YMZFGXKJDORJLP-LBPRGKRZSA-N 1 0 322.369 0.663 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CCO)CC2)c2nonc21 ZINC000264243143 396264314 /nfs/dbraw/zinc/26/43/14/396264314.db2.gz JTTRIQFCPQVRBU-UHFFFAOYSA-N 1 0 307.310 0.635 20 5 DCBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCNC1=O ZINC000282342959 396282936 /nfs/dbraw/zinc/28/29/36/396282936.db2.gz MHXGWDBPKSPYBT-YPMHNXCESA-N 1 0 323.349 0.545 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000183985665 396280008 /nfs/dbraw/zinc/28/00/08/396280008.db2.gz KIAXJZHJPJLWQT-UHFFFAOYSA-N 1 0 311.338 0.404 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000264443304 396280165 /nfs/dbraw/zinc/28/01/65/396280165.db2.gz OGSSCFJXILRSGM-GFCCVEGCSA-N 1 0 306.366 0.961 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264540093 396288927 /nfs/dbraw/zinc/28/89/27/396288927.db2.gz NLQIZVBSZMDFHQ-CYBMUJFWSA-N 1 0 307.350 0.974 20 5 DCBDRO COC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccco1 ZINC000184516499 396297885 /nfs/dbraw/zinc/29/78/85/396297885.db2.gz XVUPLJYMZCKFBH-RYUDHWBXSA-N 1 0 310.310 0.723 20 5 DCBDRO Cc1ccc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264643034 396298939 /nfs/dbraw/zinc/29/89/39/396298939.db2.gz FHTLWBSARCDEDL-CYBMUJFWSA-N 1 0 306.366 0.879 20 5 DCBDRO CN1CC[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000265667661 396335704 /nfs/dbraw/zinc/33/57/04/396335704.db2.gz WESGASPFBIJTDK-TZMCWYRMSA-N 1 0 323.349 0.497 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000186179030 396343756 /nfs/dbraw/zinc/34/37/56/396343756.db2.gz VZJSHOGFMLNYPW-UHFFFAOYSA-N 1 0 321.330 0.582 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H](C)CCC[NH3+])c([N+](=O)[O-])n1 ZINC000580713649 396494747 /nfs/dbraw/zinc/49/47/47/396494747.db2.gz BTXDAXUOZZOUIG-QMMMGPOBSA-N 1 0 305.360 0.217 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000291146246 396479971 /nfs/dbraw/zinc/47/99/71/396479971.db2.gz YGTGRXNQKDQUNX-UHFFFAOYSA-N 1 0 317.305 0.912 20 5 DCBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C[NH+](C)C ZINC000292007315 396524800 /nfs/dbraw/zinc/52/48/00/396524800.db2.gz ZBYXMILOGIEXGJ-SECBINFHSA-N 1 0 316.383 0.852 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[C@H]1[NH3+] ZINC000595101825 396548539 /nfs/dbraw/zinc/54/85/39/396548539.db2.gz GDYNNUKYDJUEHY-WCBMZHEXSA-N 1 0 300.340 0.348 20 5 DCBDRO Cc1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc([N+](=O)[O-])c1 ZINC000581677569 396575412 /nfs/dbraw/zinc/57/54/12/396575412.db2.gz GHCKQIATFUFCPG-OLZOCXBDSA-N 1 0 318.333 0.287 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000293628760 396621783 /nfs/dbraw/zinc/62/17/83/396621783.db2.gz NCKMGZOMCUAFLL-LLVKDONJSA-N 1 0 324.337 0.272 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCn1cc([N+](=O)[O-])cn1 ZINC000374419444 396663458 /nfs/dbraw/zinc/66/34/58/396663458.db2.gz HKWXDSMMDZARBV-SNPRPXQTSA-N 1 0 323.397 0.975 20 5 DCBDRO O=C(NC1C[NH2+]C1)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000562829144 396683734 /nfs/dbraw/zinc/68/37/34/396683734.db2.gz WFGFHXGICNTSOW-UHFFFAOYSA-N 1 0 318.333 0.174 20 5 DCBDRO C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO[C@H]1C1CC1 ZINC000563011821 396693067 /nfs/dbraw/zinc/69/30/67/396693067.db2.gz OTHBVJTXEKJEIM-SOUVJXGZSA-N 1 0 324.381 0.947 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588867042 396696836 /nfs/dbraw/zinc/69/68/36/396696836.db2.gz VPJIMPIACYGVEV-LLVKDONJSA-N 1 0 320.349 0.657 20 5 DCBDRO C[C@]1(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596052161 396712165 /nfs/dbraw/zinc/71/21/65/396712165.db2.gz TWBWRSJJJHBMAV-ZDUSSCGKSA-N 1 0 313.379 0.809 20 5 DCBDRO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000610925096 396784753 /nfs/dbraw/zinc/78/47/53/396784753.db2.gz MSXZXJMPESDQGW-LLVKDONJSA-N 1 0 308.338 0.906 20 5 DCBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)CN1CCOCC1 ZINC000304287427 396729118 /nfs/dbraw/zinc/72/91/18/396729118.db2.gz FYRSLZXMMUGFCA-HNNXBMFYSA-N 1 0 309.366 0.768 20 5 DCBDRO Cc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000563433633 396734552 /nfs/dbraw/zinc/73/45/52/396734552.db2.gz PHZUMUBFBHIDPW-GXSJLCMTSA-N 1 0 308.313 0.791 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563490893 396742339 /nfs/dbraw/zinc/74/23/39/396742339.db2.gz ZBMOWULKUIHSJP-UHFFFAOYSA-N 1 0 321.337 0.457 20 5 DCBDRO COC(=O)Cc1ccc(N[C@@H](CO)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596242339 396742625 /nfs/dbraw/zinc/74/26/25/396742625.db2.gz DQKMVRFDXZRMQS-LLVKDONJSA-N 1 0 311.338 0.645 20 5 DCBDRO NC(=O)c1cc(NCC[NH+]2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000596257598 396745937 /nfs/dbraw/zinc/74/59/37/396745937.db2.gz BXGHKYNYUOKBQG-UHFFFAOYSA-N 1 0 308.338 0.562 20 5 DCBDRO COc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000316414324 396796471 /nfs/dbraw/zinc/79/64/71/396796471.db2.gz BDRORXZFUVNBGJ-NOZJJQNGSA-N 1 0 309.322 0.792 20 5 DCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000611242273 396843551 /nfs/dbraw/zinc/84/35/51/396843551.db2.gz TYMFEXAGRCOCRT-GFCCVEGCSA-N 1 0 319.365 0.908 20 5 DCBDRO C[N@H+](CCCO)C1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590585822 396803127 /nfs/dbraw/zinc/80/31/27/396803127.db2.gz PTLIUEZZMMYWIJ-UHFFFAOYSA-N 1 0 309.370 0.855 20 5 DCBDRO CCCc1n[nH]c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600537198 396887411 /nfs/dbraw/zinc/88/74/11/396887411.db2.gz YZKDOTCNYZECMU-SECBINFHSA-N 1 0 311.342 0.067 20 5 DCBDRO Cc1c(NC(=O)C(=O)NCC[NH2+]C2CC2)cccc1[N+](=O)[O-] ZINC000591294741 396896579 /nfs/dbraw/zinc/89/65/79/396896579.db2.gz QUVNCXOOZBXARI-UHFFFAOYSA-N 1 0 306.322 0.710 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000591348260 396904229 /nfs/dbraw/zinc/90/42/29/396904229.db2.gz HRKQFXFMRXNOFA-ZDUSSCGKSA-N 1 0 308.338 0.773 20 5 DCBDRO Cc1cc(OCC(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600809203 396947807 /nfs/dbraw/zinc/94/78/07/396947807.db2.gz WEYWUMNLXRXYKZ-LBPRGKRZSA-N 1 0 323.349 0.465 20 5 DCBDRO CCN1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000591765967 396999843 /nfs/dbraw/zinc/99/98/43/396999843.db2.gz XHQMZFYCASAGQB-NEPJUHHUSA-N 1 0 323.349 0.545 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCN2C)c1 ZINC000591684194 396977192 /nfs/dbraw/zinc/97/71/92/396977192.db2.gz KGYSBCXNHHMNGJ-SNVBAGLBSA-N 1 0 308.338 0.237 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601345990 397069956 /nfs/dbraw/zinc/06/99/56/397069956.db2.gz KDYYPHLDKQHXME-IUCAKERBSA-N 1 0 317.754 0.983 20 5 DCBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601346679 397071465 /nfs/dbraw/zinc/07/14/65/397071465.db2.gz VTAGHTDEBCLEOU-YUMQZZPRSA-N 1 0 301.299 0.469 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000573075189 397129683 /nfs/dbraw/zinc/12/96/83/397129683.db2.gz JBHAGPOZRAORSR-NSHDSACASA-N 1 0 310.354 0.510 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592306604 397148519 /nfs/dbraw/zinc/14/85/19/397148519.db2.gz CRGMXLUSYMNNGB-WCBMZHEXSA-N 1 0 311.342 0.459 20 5 DCBDRO COc1ccc(CC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592308468 397149582 /nfs/dbraw/zinc/14/95/82/397149582.db2.gz MYDWGLSWVOIGCL-QMTHXVAHSA-N 1 0 323.349 0.721 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])n1 ZINC000592367239 397161444 /nfs/dbraw/zinc/16/14/44/397161444.db2.gz MORWKFPKQMDNGA-VIFPVBQESA-N 1 0 317.371 0.232 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592371029 397162904 /nfs/dbraw/zinc/16/29/04/397162904.db2.gz BBYBEQYALVWHJS-DTWKUNHWSA-N 1 0 300.340 0.348 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592386848 397166549 /nfs/dbraw/zinc/16/65/49/397166549.db2.gz JHDIMNKXPVYIQK-VIFPVBQESA-N 1 0 300.340 0.410 20 5 DCBDRO C[C@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601422257 397113366 /nfs/dbraw/zinc/11/33/66/397113366.db2.gz RJEYQUAPBPEFJV-VHSXEESVSA-N 1 0 314.367 0.703 20 5 DCBDRO C[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000592471053 397185162 /nfs/dbraw/zinc/18/51/62/397185162.db2.gz LDLNPHAOJBCPDD-MNOVXSKESA-N 1 0 308.338 0.342 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475121 397187114 /nfs/dbraw/zinc/18/71/14/397187114.db2.gz SIBKPGJUORIJPY-SMDDNHRTSA-N 1 0 322.365 0.606 20 5 DCBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000592485354 397188963 /nfs/dbraw/zinc/18/89/63/397188963.db2.gz DISXJQKWMSEXFM-IMRBUKKESA-N 1 0 317.349 0.104 20 5 DCBDRO CC(C)(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000592544913 397205994 /nfs/dbraw/zinc/20/59/94/397205994.db2.gz JXCMLSCIRMRBKL-ZYHUDNBSSA-N 1 0 307.354 0.737 20 5 DCBDRO COc1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000574036075 397228809 /nfs/dbraw/zinc/22/88/09/397228809.db2.gz HHYIHJOAWMCWQZ-UHFFFAOYSA-N 1 0 323.349 0.988 20 5 DCBDRO CC1(C)CC[C@H](CO)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648087 397267963 /nfs/dbraw/zinc/26/79/63/397267963.db2.gz NQBBXNVEEQOEHK-DGCLKSJQSA-N 1 0 312.370 0.635 20 5 DCBDRO C[C@H]([NH2+]C1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000382962395 397276988 /nfs/dbraw/zinc/27/69/88/397276988.db2.gz OZFCEPQNAQHAEF-NSHDSACASA-N 1 0 319.365 0.779 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601974529 397278190 /nfs/dbraw/zinc/27/81/90/397278190.db2.gz SKZHFRHRLLNCGU-FRRDWIJNSA-N 1 0 308.334 0.913 20 5 DCBDRO CN1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](CO)C1 ZINC000601979507 397279681 /nfs/dbraw/zinc/27/96/81/397279681.db2.gz IJCNTQQKHKPQLS-LLVKDONJSA-N 1 0 303.322 0.651 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CCCSC2)c1 ZINC000384152767 397280190 /nfs/dbraw/zinc/28/01/90/397280190.db2.gz PWJZOXVAJOYDLY-ZYHUDNBSSA-N 1 0 300.384 0.885 20 5 DCBDRO C[NH+](C)C(C)(C)CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598587753 397252027 /nfs/dbraw/zinc/25/20/27/397252027.db2.gz VHCSEVAXXVABED-UHFFFAOYSA-N 1 0 324.385 0.974 20 5 DCBDRO Cc1cnc(N2CC(C[NH+]3CCN(C)CC3)C2)c([N+](=O)[O-])c1 ZINC000599104933 397338210 /nfs/dbraw/zinc/33/82/10/397338210.db2.gz GKEYIKAIJAPFQV-UHFFFAOYSA-N 1 0 305.382 0.982 20 5 DCBDRO COc1cc(C[NH2+]CCN2CC[C@@H](O)C2)c([N+](=O)[O-])cc1O ZINC000599010193 397323208 /nfs/dbraw/zinc/32/32/08/397323208.db2.gz RSISBQMBKGWUOB-LLVKDONJSA-N 1 0 311.338 0.465 20 5 DCBDRO CC(C)[C@H]1CN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000488023609 397483008 /nfs/dbraw/zinc/48/30/08/397483008.db2.gz IWAMTZHVTMPGRM-UONOGXRCSA-N 1 0 311.386 0.424 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccnc3[N+](=O)[O-])C[C@@H]2C1 ZINC000579424876 397565023 /nfs/dbraw/zinc/56/50/23/397565023.db2.gz JGJYTXCLKFYIOU-AOOOYVTPSA-N 1 0 312.351 0.172 20 5 DCBDRO O=[N+]([O-])c1cc(F)ccc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000603224180 397586004 /nfs/dbraw/zinc/58/60/04/397586004.db2.gz MKYRZJOWOGXMRC-UHFFFAOYSA-N 1 0 320.328 0.779 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000599939268 397546016 /nfs/dbraw/zinc/54/60/16/397546016.db2.gz UQVDETFDWKDDJY-ZYHUDNBSSA-N 1 0 308.338 0.214 20 5 DCBDRO Cc1ccc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000579972668 397601697 /nfs/dbraw/zinc/60/16/97/397601697.db2.gz FTLDTMASHCWBCK-NEPJUHHUSA-N 1 0 318.333 0.287 20 5 DCBDRO CCOC(=O)c1ccnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000609961417 397799422 /nfs/dbraw/zinc/79/94/22/397799422.db2.gz KPKVKMAQSXDWCQ-UWVGGRQHSA-N 1 0 306.322 0.822 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000262133788 292285754 /nfs/dbraw/zinc/28/57/54/292285754.db2.gz LQDJJOKFWRYAKQ-LLVKDONJSA-N 1 0 307.354 0.590 20 5 DCBDRO O=C(CCN1CC[NH+](CCO)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000068128257 158042432 /nfs/dbraw/zinc/04/24/32/158042432.db2.gz LRXDLOOLLXQPPZ-UHFFFAOYSA-N 1 0 322.365 0.533 20 5 DCBDRO C[NH+](C)CCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000078258543 158071565 /nfs/dbraw/zinc/07/15/65/158071565.db2.gz IHVKXFNJCMHJTF-UHFFFAOYSA-N 1 0 308.338 0.393 20 5 DCBDRO C[C@@H]1CCC[C@@](CNC(=O)Cn2cnc([N+](=O)[O-])n2)([NH+](C)C)C1 ZINC000128476285 158281143 /nfs/dbraw/zinc/28/11/43/158281143.db2.gz WPROEYKDDGLQBT-BXUZGUMPSA-N 1 0 324.385 0.813 20 5 DCBDRO O=C([C@H]1CCC[NH2+]1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000166032116 158365902 /nfs/dbraw/zinc/36/59/02/158365902.db2.gz JNXRYWQFJFPVFE-ZYHUDNBSSA-N 1 0 305.338 0.755 20 5 DCBDRO C[NH+]1CCC(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330409193 159169245 /nfs/dbraw/zinc/16/92/45/159169245.db2.gz SKXIOAWLQBSASP-UHFFFAOYSA-N 1 0 308.338 0.215 20 5 DCBDRO CCn1cc(S(=O)(=O)NC2CC[NH+](C)CC2)c([N+](=O)[O-])n1 ZINC000330449596 159174848 /nfs/dbraw/zinc/17/48/48/159174848.db2.gz IAFYAJBVPVRCGY-UHFFFAOYSA-N 1 0 317.371 0.184 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CCO1 ZINC000368376543 159390233 /nfs/dbraw/zinc/39/02/33/159390233.db2.gz FZWSCILVJLENRL-LBPRGKRZSA-N 1 0 320.349 0.969 20 5 DCBDRO C[C@@H]1CC[NH2+]C[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193401547 287060822 /nfs/dbraw/zinc/06/08/22/287060822.db2.gz YGQRTZSCSIURGI-SFYZADRCSA-N 1 0 305.381 0.933 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCO[C@@H](C[NH3+])C1 ZINC000358124869 287205985 /nfs/dbraw/zinc/20/59/85/287205985.db2.gz LSXBNZGBUHBZEW-LBPRGKRZSA-N 1 0 308.338 0.501 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418378886 287246597 /nfs/dbraw/zinc/24/65/97/287246597.db2.gz JWMBIDVPZBCJHD-GFCCVEGCSA-N 1 0 319.365 0.788 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419151599 287270784 /nfs/dbraw/zinc/27/07/84/287270784.db2.gz NGZNGZPJWIWFGK-WDEREUQCSA-N 1 0 320.349 0.722 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@H]2C[NH2+]C[C@H]2O)c(Br)c1 ZINC000420249724 287285992 /nfs/dbraw/zinc/28/59/92/287285992.db2.gz JLPCWJGNQNXKRL-HZGVNTEJSA-N 1 0 317.143 0.745 20 5 DCBDRO CN(C(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000420335528 287291233 /nfs/dbraw/zinc/29/12/33/287291233.db2.gz HXLHKMYRSCXAEL-RISCZKNCSA-N 1 0 304.350 0.851 20 5 DCBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342620950 415232443 /nfs/dbraw/zinc/23/24/43/415232443.db2.gz QFNNPOMTDURCMR-UHFFFAOYSA-N 1 0 311.386 0.878 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000332099956 415242029 /nfs/dbraw/zinc/24/20/29/415242029.db2.gz CSBABYXVTMINPY-LBPRGKRZSA-N 1 0 321.381 0.775 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1COC[C@@H]1O ZINC000352797180 415324179 /nfs/dbraw/zinc/32/41/79/415324179.db2.gz IBPRVJPRGBAGRX-OLZOCXBDSA-N 1 0 309.322 0.615 20 5 DCBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000108328403 415679045 /nfs/dbraw/zinc/67/90/45/415679045.db2.gz XOWWAUGTSKODEY-LLVKDONJSA-N 1 0 309.370 0.984 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000289865600 415727826 /nfs/dbraw/zinc/72/78/26/415727826.db2.gz CYVIBWYFDOTCMT-CYBMUJFWSA-N 1 0 321.381 0.948 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425555091 287317235 /nfs/dbraw/zinc/31/72/35/287317235.db2.gz XHDOPVMCSHOZQB-SNVBAGLBSA-N 1 0 304.310 0.364 20 5 DCBDRO O=C(C[NH+]1CCCC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000344433785 415914985 /nfs/dbraw/zinc/91/49/85/415914985.db2.gz KFZLUXXDEKXIRW-UHFFFAOYSA-N 1 0 319.365 0.734 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000152851978 415971093 /nfs/dbraw/zinc/97/10/93/415971093.db2.gz YHPLRAWSGOBVKF-CQSZACIVSA-N 1 0 311.338 0.402 20 5 DCBDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356739695 415979963 /nfs/dbraw/zinc/97/99/63/415979963.db2.gz OPRJQVOTOPZHKJ-JTQLQIEISA-N 1 0 313.358 0.415 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000356519334 415937513 /nfs/dbraw/zinc/93/75/13/415937513.db2.gz HJNAOUWZEGYSIV-UHFFFAOYSA-N 1 0 324.385 0.185 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](CC2CC2)CC1 ZINC000299061629 416049169 /nfs/dbraw/zinc/04/91/69/416049169.db2.gz XDNFZDFBOYZPJR-UHFFFAOYSA-N 1 0 307.354 0.782 20 5 DCBDRO C[NH+](C)C(C)(C)CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000298332144 416003182 /nfs/dbraw/zinc/00/31/82/416003182.db2.gz ZRWMPVGCTVKWLP-UHFFFAOYSA-N 1 0 322.365 0.781 20 5 DCBDRO Cc1cc(NC(=O)C(=O)N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000298681188 416020830 /nfs/dbraw/zinc/02/08/30/416020830.db2.gz RWUXRXVDRVCZMO-UHFFFAOYSA-N 1 0 308.338 0.862 20 5 DCBDRO C[N@H+](CCc1cnccn1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000357046097 416025458 /nfs/dbraw/zinc/02/54/58/416025458.db2.gz ULZJQVGDHMOYPY-CYBMUJFWSA-N 1 0 306.326 0.117 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000357474583 416086475 /nfs/dbraw/zinc/08/64/75/416086475.db2.gz YDGVTLLLTUKRLL-UHFFFAOYSA-N 1 0 324.356 0.640 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357518724 416092142 /nfs/dbraw/zinc/09/21/42/416092142.db2.gz WRNWLULMCRBWQX-JTQLQIEISA-N 1 0 307.354 0.867 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000358065166 416185861 /nfs/dbraw/zinc/18/58/61/416185861.db2.gz MSFRKOOIOVZSQW-CQSZACIVSA-N 1 0 309.322 0.156 20 5 DCBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](C[NH3+])C1 ZINC000358158132 416204181 /nfs/dbraw/zinc/20/41/81/416204181.db2.gz XJODRIQUEFOFRD-ZWNOBZJWSA-N 1 0 308.338 0.581 20 5 DCBDRO CCO[C@H]1C[C@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000189983037 416274396 /nfs/dbraw/zinc/27/43/96/416274396.db2.gz NLXDYSQTHLNXSD-SMDDNHRTSA-N 1 0 312.370 0.947 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415455112 416344299 /nfs/dbraw/zinc/34/42/99/416344299.db2.gz PGNDQHBOGFCSLA-NSHDSACASA-N 1 0 306.322 0.695 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000415567045 416347738 /nfs/dbraw/zinc/34/77/38/416347738.db2.gz PXWDZANDZWPFMK-NXEZZACHSA-N 1 0 306.322 0.742 20 5 DCBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415658025 416350676 /nfs/dbraw/zinc/35/06/76/416350676.db2.gz PAIYQHVTYXVFQE-DTORHVGOSA-N 1 0 322.296 0.350 20 5 DCBDRO COc1cc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000359759924 416357388 /nfs/dbraw/zinc/35/73/88/416357388.db2.gz SWQWWQAXVHIUSF-HNNXBMFYSA-N 1 0 323.349 0.708 20 5 DCBDRO COC(=O)C[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000423170953 416473112 /nfs/dbraw/zinc/47/31/12/416473112.db2.gz ZBUKBCKBEJSQFV-ZDUSSCGKSA-N 1 0 323.349 0.924 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000583984424 416490433 /nfs/dbraw/zinc/49/04/33/416490433.db2.gz GWUXNPAOAUJSHP-NSHDSACASA-N 1 0 322.369 0.559 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000535442253 416522222 /nfs/dbraw/zinc/52/22/22/416522222.db2.gz UHJGSNWPXJDNLX-UHFFFAOYSA-N 1 0 324.381 0.852 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]([NH3+])[C@@H]1C ZINC000423649485 416536631 /nfs/dbraw/zinc/53/66/31/416536631.db2.gz SSHGSDTUVOKNMN-OUJBWJOFSA-N 1 0 320.349 0.661 20 5 DCBDRO CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1 ZINC000423672780 416538538 /nfs/dbraw/zinc/53/85/38/416538538.db2.gz YYBAOKKOYPFLJZ-ITGUQSILSA-N 1 0 319.317 0.719 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000423678160 416540288 /nfs/dbraw/zinc/54/02/88/416540288.db2.gz KPPMPQHNSTVCPV-UWVGGRQHSA-N 1 0 308.338 0.485 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000423678153 416540367 /nfs/dbraw/zinc/54/03/67/416540367.db2.gz KPPMPQHNSTVCPV-NXEZZACHSA-N 1 0 308.338 0.485 20 5 DCBDRO Nc1nc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000596559143 416584657 /nfs/dbraw/zinc/58/46/57/416584657.db2.gz XHBYOKZLOJAKBV-GFCCVEGCSA-N 1 0 314.349 1.075 20 5 DCBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000367578965 416648241 /nfs/dbraw/zinc/64/82/41/416648241.db2.gz XKYMFNTXRYSEDF-CHWSQXEVSA-N 1 0 309.370 0.586 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c([N+](=O)[O-])n1 ZINC000440808762 416649044 /nfs/dbraw/zinc/64/90/44/416649044.db2.gz LDOUSFTVMLSURW-RKDXNWHRSA-N 1 0 317.371 0.088 20 5 DCBDRO C[C@H]1CC(=O)NCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369441468 416776231 /nfs/dbraw/zinc/77/62/31/416776231.db2.gz ULFKYDQIHLIRFZ-AAEUAGOBSA-N 1 0 323.349 0.545 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429052302 287333261 /nfs/dbraw/zinc/33/32/61/287333261.db2.gz KMOXYLYWAWMHHJ-UWVGGRQHSA-N 1 0 324.337 0.646 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000369998406 416863872 /nfs/dbraw/zinc/86/38/72/416863872.db2.gz RVFXQXFFJWDIDM-KGLIPLIRSA-N 1 0 309.370 0.322 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)C(F)F)cc1 ZINC000518770471 416873797 /nfs/dbraw/zinc/87/37/97/416873797.db2.gz UXZWGJWYPOZCQQ-JTQLQIEISA-N 1 0 324.305 0.584 20 5 DCBDRO CC[NH2+]CCNC(=O)[C@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000429101125 287334777 /nfs/dbraw/zinc/33/47/77/287334777.db2.gz RCBUMTIXTAXZAQ-JTQLQIEISA-N 1 0 312.374 0.553 20 5 DCBDRO CC[N@H+](C)C[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000565162588 416935925 /nfs/dbraw/zinc/93/59/25/416935925.db2.gz JEYQNQBUSFEJLX-AWEZNQCLSA-N 1 0 323.397 0.424 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000429032103 416944027 /nfs/dbraw/zinc/94/40/27/416944027.db2.gz WFAVJCYGXUNWSH-WDEREUQCSA-N 1 0 324.385 0.634 20 5 DCBDRO CCC[N@@H+](CC(N)=O)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000429159914 416950281 /nfs/dbraw/zinc/95/02/81/416950281.db2.gz FZXWGUNZHYGIKV-NSHDSACASA-N 1 0 311.338 0.532 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000525185333 417127888 /nfs/dbraw/zinc/12/78/88/417127888.db2.gz BJLRUTCVWUHBLM-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000449597761 417155067 /nfs/dbraw/zinc/15/50/67/417155067.db2.gz GJAZGIAFARZAJF-VIFPVBQESA-N 1 0 322.321 0.174 20 5 DCBDRO Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000449597624 417155408 /nfs/dbraw/zinc/15/54/08/417155408.db2.gz ZMFNWPOZWVXHOE-BDAKNGLRSA-N 1 0 318.337 0.949 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000449595764 417156487 /nfs/dbraw/zinc/15/64/87/417156487.db2.gz VJHBQKBYXPWESM-IUCAKERBSA-N 1 0 322.321 0.172 20 5 DCBDRO Nc1c(C(=O)NC[C@H]2C[NH2+]CCCO2)cc(F)cc1[N+](=O)[O-] ZINC000449710726 417171146 /nfs/dbraw/zinc/17/11/46/417171146.db2.gz NAWUXXKXZHBRTO-SECBINFHSA-N 1 0 312.301 0.424 20 5 DCBDRO C[NH+](C)C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC1 ZINC000438517619 287372592 /nfs/dbraw/zinc/37/25/92/287372592.db2.gz NDLCQAMJCJZBGQ-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)CC(C)(C)C ZINC000451780208 417398195 /nfs/dbraw/zinc/39/81/95/417398195.db2.gz MTBAUURHOSYGFP-DGCLKSJQSA-N 1 0 314.386 0.881 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000451926131 417416311 /nfs/dbraw/zinc/41/63/11/417416311.db2.gz HUXWRUNAULUZCR-VIFPVBQESA-N 1 0 317.367 0.832 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451622855 417367161 /nfs/dbraw/zinc/36/71/61/417367161.db2.gz HJSNARKQAQBZHO-PHIMTYICSA-N 1 0 305.290 0.308 20 5 DCBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571226318 417439016 /nfs/dbraw/zinc/43/90/16/417439016.db2.gz NDTLAYQXOHRQDG-DGCLKSJQSA-N 1 0 318.333 0.546 20 5 DCBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571226320 417439447 /nfs/dbraw/zinc/43/94/47/417439447.db2.gz NDTLAYQXOHRQDG-YPMHNXCESA-N 1 0 318.333 0.546 20 5 DCBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000576053075 417575865 /nfs/dbraw/zinc/57/58/65/417575865.db2.gz AZGLCZZRCKRQFG-DDTOSNHZSA-N 1 0 304.350 0.900 20 5 DCBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000457110099 417691950 /nfs/dbraw/zinc/69/19/50/417691950.db2.gz HUCBAKJGFKXOBB-GFCCVEGCSA-N 1 0 322.365 0.698 20 5 DCBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000457060864 417681634 /nfs/dbraw/zinc/68/16/34/417681634.db2.gz YCZDDUILGKJJSQ-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCC[NH+]1CCCCC1 ZINC000299590406 229238458 /nfs/dbraw/zinc/23/84/58/229238458.db2.gz FMQBUBPLKQZMNR-UHFFFAOYSA-N 1 0 322.365 0.749 20 5 DCBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC(=O)N1CC[NH2+]CC1 ZINC000320391280 261177247 /nfs/dbraw/zinc/17/72/47/261177247.db2.gz TVIHMOOWDWIECF-WAYWQWQTSA-N 1 0 318.333 0.156 20 5 DCBDRO COc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000390087780 262160580 /nfs/dbraw/zinc/16/05/80/262160580.db2.gz UUWXWANMVWOFSS-LLVKDONJSA-N 1 0 309.322 0.712 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000394076287 262161792 /nfs/dbraw/zinc/16/17/92/262161792.db2.gz QQNYJFHBPISPKB-GEXIGZQTSA-N 1 0 304.350 0.628 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NCCN1CC[NH2+]CC1 ZINC000417234442 262248422 /nfs/dbraw/zinc/24/84/22/262248422.db2.gz PSXLCNCTWLXYMY-UHFFFAOYSA-N 1 0 321.381 0.342 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCO1 ZINC000417757225 262260673 /nfs/dbraw/zinc/26/06/73/262260673.db2.gz AXGLQWCEUSNGSG-LBPRGKRZSA-N 1 0 308.338 0.425 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418773398 262288669 /nfs/dbraw/zinc/28/86/69/262288669.db2.gz CFYKONJMGUPWNR-VHSXEESVSA-N 1 0 308.338 0.496 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418862439 262293679 /nfs/dbraw/zinc/29/36/79/262293679.db2.gz GFFVJRDBMJMMDG-JTQLQIEISA-N 1 0 308.338 0.107 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418922358 262298647 /nfs/dbraw/zinc/29/86/47/262298647.db2.gz KWBFQQWHAPWUTP-UHFFFAOYSA-N 1 0 322.365 0.369 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCO[C@H](C[NH3+])C1 ZINC000420398839 262372981 /nfs/dbraw/zinc/37/29/81/262372981.db2.gz ZEALVRIBPMSGQN-CYBMUJFWSA-N 1 0 322.365 0.891 20 5 DCBDRO C[NH2+]CCNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418329285 271242866 /nfs/dbraw/zinc/24/28/66/271242866.db2.gz ONJODYNGOLAZBM-UHFFFAOYSA-N 1 0 307.354 0.646 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419267621 271280256 /nfs/dbraw/zinc/28/02/56/271280256.db2.gz JFUZELHHSIOJKN-LLVKDONJSA-N 1 0 322.365 0.806 20 5 DCBDRO C[NH2+]C[C@H](C)CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000420206145 271363465 /nfs/dbraw/zinc/36/34/65/271363465.db2.gz PTMAAMHSFKTFJQ-QMMMGPOBSA-N 1 0 302.356 0.510 20 5 DCBDRO O=C(C[NH2+][C@@H](CO)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447903644 271804658 /nfs/dbraw/zinc/80/46/58/271804658.db2.gz NRPPFMRYFRDGDM-AAEUAGOBSA-N 1 0 309.322 0.663 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)N1CCOCC1 ZINC000449248883 271845724 /nfs/dbraw/zinc/84/57/24/271845724.db2.gz IHKOGDGOCXABOD-GFCCVEGCSA-N 1 0 307.350 0.974 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000449584906 271854034 /nfs/dbraw/zinc/85/40/34/271854034.db2.gz DNFBOKKGBBTENS-NXEZZACHSA-N 1 0 308.338 0.567 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557674 272135045 /nfs/dbraw/zinc/13/50/45/272135045.db2.gz DBGKVTULNMSUIN-QZDDGCDVSA-N 1 0 305.334 0.791 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000493256163 272178529 /nfs/dbraw/zinc/17/85/29/272178529.db2.gz NZCOPPWASBAGHL-KMOQFTEPSA-N 1 0 309.297 0.933 20 5 DCBDRO C[C@@H](NC[C@@H](O)COc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000494780737 272230884 /nfs/dbraw/zinc/23/08/84/272230884.db2.gz CRSSGTPVBJFYRI-GHMZBOCLSA-N 1 0 321.337 0.814 20 5 DCBDRO COc1cccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000516938250 272451480 /nfs/dbraw/zinc/45/14/80/272451480.db2.gz MLTDMHXSSFCPLL-VHSXEESVSA-N 1 0 306.322 0.352 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+]1CCC1 ZINC000337595637 276535024 /nfs/dbraw/zinc/53/50/24/276535024.db2.gz OTILSWDJDGTGIM-LLVKDONJSA-N 1 0 324.385 0.649 20 5 DCBDRO C[C@H](C[NH+](C)C)NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000344884312 279279561 /nfs/dbraw/zinc/27/95/61/279279561.db2.gz NTDNLBLSARZCRM-SNVBAGLBSA-N 1 0 301.368 0.964 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)CC2CCCC2)c1 ZINC000564978452 288801281 /nfs/dbraw/zinc/80/12/81/288801281.db2.gz NCQKNXFRJHNYMF-OCCSQVGLSA-N 1 0 312.370 0.683 20 5 DCBDRO C[C@@H]1CCCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000565342076 288845151 /nfs/dbraw/zinc/84/51/51/288845151.db2.gz FGUVTHNIEIVBDC-TZMCWYRMSA-N 1 0 311.386 0.474 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000565706342 288872224 /nfs/dbraw/zinc/87/22/24/288872224.db2.gz VEPPOGOFTINTKH-UHFFFAOYSA-N 1 0 312.301 0.788 20 5 DCBDRO Cc1ccnc(N2CCC[C@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-] ZINC000262379400 292771077 /nfs/dbraw/zinc/77/10/77/292771077.db2.gz YMCRHZABRLVXFT-NSHDSACASA-N 1 0 307.354 0.590 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC000290985355 290234129 /nfs/dbraw/zinc/23/41/29/290234129.db2.gz SHESSCWXNPNHOI-GXSJLCMTSA-N 1 0 305.338 0.619 20 5 DCBDRO CCCC[C@H](C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000571164724 333674226 /nfs/dbraw/zinc/67/42/26/333674226.db2.gz YKUXFXHKCYRMPU-SECBINFHSA-N 1 0 302.356 0.786 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCn1cncn1 ZINC000582236259 336383694 /nfs/dbraw/zinc/38/36/94/336383694.db2.gz KLYKRCJUCWTVKH-LLVKDONJSA-N 1 0 307.310 0.216 20 5 DCBDRO CC(C)(O)C(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393587503 337093112 /nfs/dbraw/zinc/09/31/12/337093112.db2.gz LMCRVCDDXWPVBK-LLVKDONJSA-N 1 0 300.359 0.539 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000577410608 341908692 /nfs/dbraw/zinc/90/86/92/341908692.db2.gz AEDHPJNOCYEGLF-NWDGAFQWSA-N 1 0 319.321 0.371 20 5 DCBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000577500578 341913173 /nfs/dbraw/zinc/91/31/73/341913173.db2.gz DLBKCYOLHMLBRR-ABAIWWIYSA-N 1 0 317.349 0.390 20 5 DCBDRO CN(CC[NH2+]Cc1ccc(Cl)nc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001567494113 1160395514 /nfs/dbraw/zinc/39/55/14/1160395514.db2.gz QYNNVPWQCFCVPA-GHMZBOCLSA-N 1 0 312.757 0.948 20 5 DCBDRO CC(C)([NH3+])CNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000160072059 519302180 /nfs/dbraw/zinc/30/21/80/519302180.db2.gz DUSARRRDESVWFP-UHFFFAOYSA-N 1 0 304.306 0.903 20 5 DCBDRO Cc1nc(N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000294888423 534443369 /nfs/dbraw/zinc/44/33/69/534443369.db2.gz GCKZRWHXYCUVSW-SNVBAGLBSA-N 1 0 309.370 0.975 20 5 DCBDRO CC[NH2+]CC1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000237015954 519914729 /nfs/dbraw/zinc/91/47/29/519914729.db2.gz CVIYRTHUIWIUKM-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO COC(=O)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566838 523951289 /nfs/dbraw/zinc/95/12/89/523951289.db2.gz ZXAFYLSKSNGXPX-CMPLNLGQSA-N 1 0 312.326 0.037 20 5 DCBDRO [NH3+]C1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000157652058 527143590 /nfs/dbraw/zinc/14/35/90/527143590.db2.gz XDMFPMTUNVALPD-UHFFFAOYSA-N 1 0 316.321 0.739 20 5 DCBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736990955 598394966 /nfs/dbraw/zinc/39/49/66/598394966.db2.gz WDMDHZUYLMQAEI-UHFFFAOYSA-N 1 0 321.341 0.765 20 5 DCBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(-c2nn[nH]n2)c1 ZINC000738368050 598499636 /nfs/dbraw/zinc/49/96/36/598499636.db2.gz CMXVQGGCOYVANC-MRVPVSSYSA-N 1 0 316.325 0.819 20 5 DCBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)CC1 ZINC000825465645 607447873 /nfs/dbraw/zinc/44/78/73/607447873.db2.gz PDSJYOKWUZQXCA-UHFFFAOYSA-N 1 0 303.326 0.917 20 5 DCBDRO Cc1nc(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001022063429 658820527 /nfs/dbraw/zinc/82/05/27/658820527.db2.gz BKXZRAUPSJZMPX-YVECIDJPSA-N 1 0 324.406 0.896 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892784250 659454199 /nfs/dbraw/zinc/45/41/99/659454199.db2.gz HDBGVUUJULQVBM-CQSZACIVSA-N 1 0 307.354 0.700 20 5 DCBDRO C[C@]1(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[NH+]2CCC1CC2 ZINC000892785815 659455363 /nfs/dbraw/zinc/45/53/63/659455363.db2.gz PTBKRWUMWNRHEE-HNNXBMFYSA-N 1 0 320.349 0.357 20 5 DCBDRO CC(C)C[NH2+]C1(CO)CCN(c2c([N+](=O)[O-])cnn2C)CC1 ZINC000894051388 661428807 /nfs/dbraw/zinc/42/88/07/661428807.db2.gz IKELTNXJXBLWCI-UHFFFAOYSA-N 1 0 311.386 0.905 20 5 DCBDRO NC(=O)NC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000178866122 661670044 /nfs/dbraw/zinc/67/00/44/661670044.db2.gz RLPIXOXJJOBYFC-ZDUSSCGKSA-N 1 0 308.338 0.761 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2nccs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983648931 661997055 /nfs/dbraw/zinc/99/70/55/661997055.db2.gz MSPNVSKDUIRXEB-GWOFURMSSA-N 1 0 310.379 0.793 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(c2nc3sccn3c2[N+](=O)[O-])C1 ZINC000895009084 662042713 /nfs/dbraw/zinc/04/27/13/662042713.db2.gz PVYJXMLCBMQIAP-LBPRGKRZSA-N 1 0 311.367 0.807 20 5 DCBDRO Cc1nnc(CN(C)C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)[nH]1 ZINC000985424796 662439071 /nfs/dbraw/zinc/43/90/71/662439071.db2.gz ASDSVZNRQTZSHR-VXGBXAGGSA-N 1 0 322.369 0.201 20 5 DCBDRO CN(Cc1ccon1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985430267 662441848 /nfs/dbraw/zinc/44/18/48/662441848.db2.gz CZAWZDQURDHNDJ-CHWSQXEVSA-N 1 0 308.338 0.763 20 5 DCBDRO Cn1nccc1C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985431122 662443340 /nfs/dbraw/zinc/44/33/40/662443340.db2.gz MHYSFJJFNLAEIZ-ZIAGYGMSSA-N 1 0 321.381 0.508 20 5 DCBDRO Cn1ccc(CN2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001000669697 665913594 /nfs/dbraw/zinc/91/35/94/665913594.db2.gz KAEBNFYPHXFKOF-ZIAGYGMSSA-N 1 0 319.365 0.334 20 5 DCBDRO NC(=O)CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000990425086 663047385 /nfs/dbraw/zinc/04/73/85/663047385.db2.gz YXPIPMSRDDDLFD-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1C[N@H+](C)CCN1C ZINC000900808257 663282688 /nfs/dbraw/zinc/28/26/88/663282688.db2.gz WGVCZFCBAPMTFL-ZWNOBZJWSA-N 1 0 309.370 0.297 20 5 DCBDRO C[C@@H]([NH2+]C[C@@]1(CO)COCCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000903285484 663451185 /nfs/dbraw/zinc/45/11/85/663451185.db2.gz KYXYGOGONGZPLX-IUODEOHRSA-N 1 0 309.366 0.939 20 5 DCBDRO CN1CCOC[C@@]1(CO)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000903277214 663451493 /nfs/dbraw/zinc/45/14/93/663451493.db2.gz FCBIPFAMAGGUEV-HOCLYGCPSA-N 1 0 321.377 0.865 20 5 DCBDRO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000903431675 663454539 /nfs/dbraw/zinc/45/45/39/663454539.db2.gz UXQYBTMIIBFGFW-OLZOCXBDSA-N 1 0 305.382 0.967 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH2+]CCC23CCOCC3)n1 ZINC000903817814 663485605 /nfs/dbraw/zinc/48/56/05/663485605.db2.gz KLQOYKLSJKNWGI-UHFFFAOYSA-N 1 0 309.370 0.636 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000903875574 663491418 /nfs/dbraw/zinc/49/14/18/663491418.db2.gz QZKRCTFSWUAZGT-CYBMUJFWSA-N 1 0 322.365 0.762 20 5 DCBDRO O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912184654 664146801 /nfs/dbraw/zinc/14/68/01/664146801.db2.gz ZGDWQOFKSVHHLZ-HNNXBMFYSA-N 1 0 305.334 0.989 20 5 DCBDRO C[C@@]1(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC[NH2+]C1 ZINC000230736319 664623713 /nfs/dbraw/zinc/62/37/13/664623713.db2.gz LFPIRSGWLLQNGW-LLVKDONJSA-N 1 0 303.315 0.764 20 5 DCBDRO COc1cc(OCC(=O)NC23CC[NH+](CC2)C3)ccc1[N+](=O)[O-] ZINC000913629047 664708210 /nfs/dbraw/zinc/70/82/10/664708210.db2.gz PYJQUSRTBSZFOJ-UHFFFAOYSA-N 1 0 321.333 0.947 20 5 DCBDRO Cn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000997770693 665337017 /nfs/dbraw/zinc/33/70/17/665337017.db2.gz XMFVMPRZPBGSIX-ZIAGYGMSSA-N 1 0 321.381 0.414 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)OCC[NH+]1CCC1 ZINC000861390267 666924952 /nfs/dbraw/zinc/92/49/52/666924952.db2.gz MDPJOLGXQZAAHG-UHFFFAOYSA-N 1 0 322.321 0.965 20 5 DCBDRO NC(=O)C(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000996941565 667035793 /nfs/dbraw/zinc/03/57/93/667035793.db2.gz MDYYZRQJOATURM-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863327601 667130891 /nfs/dbraw/zinc/13/08/91/667130891.db2.gz PJCNGDKQQHEMAU-GFCCVEGCSA-N 1 0 322.365 0.457 20 5 DCBDRO Cc1cc([N+](=O)[O-])cn(CC(=O)NC2CC[NH+](C)CC2)c1=O ZINC000865360766 667321976 /nfs/dbraw/zinc/32/19/76/667321976.db2.gz JNDOYRMUAKJASC-UHFFFAOYSA-N 1 0 308.338 0.275 20 5 DCBDRO Cc1ccc(C[NH2+]Cc2cn(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-] ZINC000865786665 667346344 /nfs/dbraw/zinc/34/63/44/667346344.db2.gz QTFADKNEUDXRNS-UHFFFAOYSA-N 1 0 318.333 0.590 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000866792329 667399059 /nfs/dbraw/zinc/39/90/59/667399059.db2.gz ZGSJBJUMWYPOAP-DTORHVGOSA-N 1 0 315.326 0.859 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291464 667493698 /nfs/dbraw/zinc/49/36/98/667493698.db2.gz STJNHPNSQALURI-GXTWGEPZSA-N 1 0 309.366 0.876 20 5 DCBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])NCC[N@H+]1CC[C@H](O)C1 ZINC000869502748 667663468 /nfs/dbraw/zinc/66/34/68/667663468.db2.gz VNMNEDZSCJTENC-NSHDSACASA-N 1 0 311.313 0.459 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874843079 668226566 /nfs/dbraw/zinc/22/65/66/668226566.db2.gz LOXJSOWMYJTXKB-VXGBXAGGSA-N 1 0 307.354 0.795 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCN(CCCO)C3)C2)c1 ZINC000877558772 668628587 /nfs/dbraw/zinc/62/85/87/668628587.db2.gz NDNPKAROAOJCBC-IYXRBSQSSA-N 1 0 323.397 0.931 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCC[NH+]1CCCCC1 ZINC000770357915 668689801 /nfs/dbraw/zinc/68/98/01/668689801.db2.gz GKCMWLCQYNIDKV-UHFFFAOYSA-N 1 0 309.322 0.786 20 5 DCBDRO C[NH+]1CCC(CCO)(NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC000787245117 669360944 /nfs/dbraw/zinc/36/09/44/669360944.db2.gz KDSRMTHNYRWKDB-UHFFFAOYSA-N 1 0 322.365 0.754 20 5 DCBDRO CS(=O)(=O)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158624575 669927114 /nfs/dbraw/zinc/92/71/14/669927114.db2.gz DVFSJXFPBNPOTF-GFCCVEGCSA-N 1 0 302.352 0.653 20 5 DCBDRO Cc1cc(N2CCN(c3ncccc3[N+](=O)[O-])CC2)nc(N)[nH+]1 ZINC000840310375 670671624 /nfs/dbraw/zinc/67/16/24/670671624.db2.gz JRRZBIOWQZMLAL-UHFFFAOYSA-N 1 0 315.337 0.997 20 5 DCBDRO CNC(=O)[C@H]1CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000817371198 670916513 /nfs/dbraw/zinc/91/65/13/670916513.db2.gz ZGOTULXQIUDRIG-JTQLQIEISA-N 1 0 303.322 0.970 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NC[C@@H]1CCC[NH2+]1 ZINC000818541636 671029692 /nfs/dbraw/zinc/02/96/92/671029692.db2.gz DCWDESVVMIEUJK-NSHDSACASA-N 1 0 303.322 0.813 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612434 671036685 /nfs/dbraw/zinc/03/66/85/671036685.db2.gz QERKKFKXWDWYDJ-CQSZACIVSA-N 1 0 307.354 0.844 20 5 DCBDRO C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000819190109 671101819 /nfs/dbraw/zinc/10/18/19/671101819.db2.gz DTDGPTQOMMYLRU-SKDRFNHKSA-N 1 0 302.352 0.651 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCN2CCCOCC2)c1 ZINC000819250890 671105727 /nfs/dbraw/zinc/10/57/27/671105727.db2.gz JGNLRPKHNUEWDS-HNNXBMFYSA-N 1 0 309.366 0.940 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000823641701 671403639 /nfs/dbraw/zinc/40/36/39/671403639.db2.gz KUZSORHJCJHUAB-GHMZBOCLSA-N 1 0 309.370 0.945 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000825239692 671454211 /nfs/dbraw/zinc/45/42/11/671454211.db2.gz CABFTUAFUJPUKX-PELKAZGASA-N 1 0 306.278 0.937 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)n1 ZINC000826677827 671496389 /nfs/dbraw/zinc/49/63/89/671496389.db2.gz PETPSAQWALZTAG-NSHDSACASA-N 1 0 307.354 0.854 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000829570082 671580199 /nfs/dbraw/zinc/58/01/99/671580199.db2.gz MVBPXSLZRPYVRR-NWDGAFQWSA-N 1 0 307.354 0.795 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000830871835 671644852 /nfs/dbraw/zinc/64/48/52/671644852.db2.gz OSSWFPYPXXMRGF-KWCYVHTRSA-N 1 0 324.333 0.484 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834686559 671776468 /nfs/dbraw/zinc/77/64/68/671776468.db2.gz IPNXMEXSUMLHLX-JTQLQIEISA-N 1 0 308.338 0.508 20 5 DCBDRO [NH3+]CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841931360 671966995 /nfs/dbraw/zinc/96/69/95/671966995.db2.gz AFYFFXJPXHSADH-UHFFFAOYSA-N 1 0 307.354 0.775 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CO)CN2CCCC2)c1 ZINC000843118116 672064302 /nfs/dbraw/zinc/06/43/02/672064302.db2.gz WOYBRPGOBFCMFY-UKRRQHHQSA-N 1 0 309.366 0.675 20 5 DCBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000843360718 672086844 /nfs/dbraw/zinc/08/68/44/672086844.db2.gz LVDPZVYLKYDNRP-TXEJJXNPSA-N 1 0 304.350 0.981 20 5 DCBDRO CCO[C@@H]1CN(C(=O)c2cc(C)cc([N+](=O)[O-])c2N)C[C@H]1C[NH3+] ZINC000846695500 672338055 /nfs/dbraw/zinc/33/80/55/672338055.db2.gz MFZFVRYDHBKRLH-ZWNOBZJWSA-N 1 0 322.365 0.921 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1C ZINC001020139021 693709575 /nfs/dbraw/zinc/70/95/75/693709575.db2.gz MVZDMDFGGOUPMW-FPQZTECRSA-N 1 0 307.354 0.131 20 5 DCBDRO CCn1nc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001020140002 693711304 /nfs/dbraw/zinc/71/13/04/693711304.db2.gz STJFSESTYDFDRE-PRULPYPASA-N 1 0 322.369 0.008 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]CCC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020139969 693711402 /nfs/dbraw/zinc/71/14/02/693711402.db2.gz RLJXZGCKBPFCPE-AAVRWANBSA-N 1 0 311.382 0.705 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncc(C)c1 ZINC001691017691 1157401899 /nfs/dbraw/zinc/40/18/99/1157401899.db2.gz POJGVWLINBWBLU-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001566158709 1159970808 /nfs/dbraw/zinc/97/08/08/1159970808.db2.gz FCCMTAYHCQQIIX-UHFFFAOYSA-N 1 0 319.749 0.669 20 5 DCBDRO C[NH+]1CCC(CCO)(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001567187578 1160267437 /nfs/dbraw/zinc/26/74/37/1160267437.db2.gz NDHRZUAJUZUFAS-UHFFFAOYSA-N 1 0 324.337 0.272 20 5 DCBDRO O=C([C@H]1C[C@@H](F)C[NH2+]1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001574428170 1163721360 /nfs/dbraw/zinc/72/13/60/1163721360.db2.gz GBZZUSUWYQZWTD-GHMZBOCLSA-N 1 0 323.328 0.338 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCNS(=O)(=O)C[C@@H]1CC[NH2+]C1 ZINC001574441425 1163727779 /nfs/dbraw/zinc/72/77/79/1163727779.db2.gz XFQHFEHKAUAPLN-LLVKDONJSA-N 1 0 313.379 0.666 20 5 DCBDRO CCN(CC[NH3+])C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001577715503 1164773560 /nfs/dbraw/zinc/77/35/60/1164773560.db2.gz MTUMZZRRUJYSEA-CYBMUJFWSA-N 1 0 306.322 0.895 20 5 DCBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC001578523544 1165040853 /nfs/dbraw/zinc/04/08/53/1165040853.db2.gz MNAINYPOYLVXQC-PJODQICGSA-N 1 0 318.377 0.931 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC001579236106 1165246543 /nfs/dbraw/zinc/24/65/43/1165246543.db2.gz QRGLUZMURDQTRF-KYZUINATSA-N 1 0 315.351 0.619 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC2(C[NH2+]C2)O1 ZINC001579242635 1165248791 /nfs/dbraw/zinc/24/87/91/1165248791.db2.gz UZPYUOWFOWUDHP-NSHDSACASA-N 1 0 321.333 0.854 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001579543989 1165342981 /nfs/dbraw/zinc/34/29/81/1165342981.db2.gz NQQCOTLOMVHBPW-IWIIMEHWSA-N 1 0 311.363 0.742 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC001579869064 1165416301 /nfs/dbraw/zinc/41/63/01/1165416301.db2.gz QNRIOIFYFVAHRK-BXUZGUMPSA-N 1 0 307.354 0.891 20 5 DCBDRO [NH3+][C@]1(CO)CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC001580154751 1165521836 /nfs/dbraw/zinc/52/18/36/1165521836.db2.gz LZXBJVPIYDIGDD-NFBGWVBBSA-N 1 0 305.334 0.920 20 5 DCBDRO [NH3+]CCN(CCO)C(=O)c1ccc([N+](=O)[O-])c(-n2ccnc2)c1 ZINC001580308451 1165566020 /nfs/dbraw/zinc/56/60/20/1165566020.db2.gz ZLUUDPCPGLEPLY-UHFFFAOYSA-N 1 0 319.321 0.174 20 5 DCBDRO [NH3+][C@@H]1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[C@H]1F ZINC001580391260 1165592818 /nfs/dbraw/zinc/59/28/18/1165592818.db2.gz YJZPMGNLUWCPDW-VXGBXAGGSA-N 1 0 324.312 0.222 20 5 DCBDRO O=C(CCN1CC[NH2+]C[C@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC001580533507 1165631912 /nfs/dbraw/zinc/63/19/12/1165631912.db2.gz CEUZSTVQWAWHIS-NSHDSACASA-N 1 0 308.338 0.190 20 5 DCBDRO O=C(CCN1CC[NH2+]C[C@@H]1CO)Nc1ccccc1[N+](=O)[O-] ZINC001580533506 1165632220 /nfs/dbraw/zinc/63/22/20/1165632220.db2.gz CEUZSTVQWAWHIS-LLVKDONJSA-N 1 0 308.338 0.190 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC1(C2CC[NH2+]CC2)CC1 ZINC001580545987 1165634924 /nfs/dbraw/zinc/63/49/24/1165634924.db2.gz DOWDPXGLUZYXRU-UHFFFAOYSA-N 1 0 307.354 0.830 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001580667429 1165681302 /nfs/dbraw/zinc/68/13/02/1165681302.db2.gz RLPQRVOHHQHQDL-HZSPNIEDSA-N 1 0 305.334 0.803 20 5 DCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1cnnn1C1C[NH2+]C1 ZINC001580715116 1165696578 /nfs/dbraw/zinc/69/65/78/1165696578.db2.gz IQZMRSCIYSABRN-UHFFFAOYSA-N 1 0 302.294 0.261 20 5 DCBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001580766692 1165714469 /nfs/dbraw/zinc/71/44/69/1165714469.db2.gz KJKXYCBYGQDMCW-VIFPVBQESA-N 1 0 310.285 0.986 20 5 DCBDRO C[NH+](C)Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cn1 ZINC001588285296 1166519201 /nfs/dbraw/zinc/51/92/01/1166519201.db2.gz QZCOEHHDOKCUDO-UHFFFAOYSA-N 1 0 318.337 0.678 20 5 DCBDRO C[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001590271590 1166833904 /nfs/dbraw/zinc/83/39/04/1166833904.db2.gz IQDRFHPVVCUACL-ZANVPECISA-N 1 0 318.337 0.978 20 5 DCBDRO C[NH+](C)C[C@H](CO)Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591011478 1167079626 /nfs/dbraw/zinc/07/96/26/1167079626.db2.gz AZZLKMFVTDAQPX-SECBINFHSA-N 1 0 307.314 0.109 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C[C@@H]21 ZINC001591196284 1167145395 /nfs/dbraw/zinc/14/53/95/1167145395.db2.gz RSLZXUPQQNEHPU-RNCFNFMXSA-N 1 0 315.337 0.915 20 5 DCBDRO C[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001591774233 1167375043 /nfs/dbraw/zinc/37/50/43/1167375043.db2.gz ZBURHQIBEOIRHE-OCAPTIKFSA-N 1 0 304.314 0.357 20 5 DCBDRO O=[N+]([O-])c1cnc(N[C@H]2C[NH+]3CCC2CC3)c(-c2nn[nH]n2)c1 ZINC001593484563 1167866378 /nfs/dbraw/zinc/86/63/78/1167866378.db2.gz FROUKXWKFYXGAO-NSHDSACASA-N 1 0 316.325 0.676 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001620943556 1167960901 /nfs/dbraw/zinc/96/09/01/1167960901.db2.gz ATWFUJQDJCYXBS-MNOVXSKESA-N 1 0 308.338 0.355 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607077646 1170382232 /nfs/dbraw/zinc/38/22/32/1170382232.db2.gz QDANZVVMSIOMQH-TXEJJXNPSA-N 1 0 315.337 0.426 20 5 DCBDRO CC[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001609202609 1170866935 /nfs/dbraw/zinc/86/69/35/1170866935.db2.gz MFAFNZKLFAVILF-TVQRCGJNSA-N 1 0 318.337 0.978 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@H]21 ZINC001612770332 1171364849 /nfs/dbraw/zinc/36/48/49/1171364849.db2.gz ZFEPJTWAOQFZEY-BXKDBHETSA-N 1 0 305.338 0.619 20 5 DCBDRO Nc1ncc(C(=O)NCCC[NH+]2CCC(O)CC2)cc1[N+](=O)[O-] ZINC001618532345 1171399010 /nfs/dbraw/zinc/39/90/10/1171399010.db2.gz VGHPDSGVWTVXHL-UHFFFAOYSA-N 1 0 323.353 0.149 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC001620524215 1171404069 /nfs/dbraw/zinc/40/40/69/1171404069.db2.gz OOSPKDDZVODKCH-BARDWOONSA-N 1 0 324.381 0.778 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001638257202 1171794012 /nfs/dbraw/zinc/79/40/12/1171794012.db2.gz OMYXHPFHKQTZAE-UHFFFAOYSA-N 1 0 306.322 0.730 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N1CC([NH2+]C2CCOCC2)C1 ZINC001640403548 1171879331 /nfs/dbraw/zinc/87/93/31/1171879331.db2.gz OSWOTUDMASBVSC-UHFFFAOYSA-N 1 0 321.337 0.046 20 5 DCBDRO COC[C@]1(CO)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001643116882 1171966256 /nfs/dbraw/zinc/96/62/56/1171966256.db2.gz DNJTYWKWPPLDMC-HUUCEWRRSA-N 1 0 310.350 0.959 20 5 DCBDRO C[N@H+](CCO)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC001643172261 1171968493 /nfs/dbraw/zinc/96/84/93/1171968493.db2.gz IFFKBVWQQSAKFB-UHFFFAOYSA-N 1 0 308.338 0.816 20 5 DCBDRO COCC[N@@H+](CCC(=O)OC)CCn1cc([N+](=O)[O-])cn1 ZINC001644584039 1172011301 /nfs/dbraw/zinc/01/13/01/1172011301.db2.gz KQFCUIHSPAXTGC-UHFFFAOYSA-N 1 0 300.315 0.303 20 5 DCBDRO CN(CCC[NH+](C)C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001645219513 1172032730 /nfs/dbraw/zinc/03/27/30/1172032730.db2.gz SZVCVOYEYVISCB-UHFFFAOYSA-N 1 0 324.385 0.185 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383833 1173748025 /nfs/dbraw/zinc/74/80/25/1173748025.db2.gz PFQVKJOZUFMSBD-QWRGUYRKSA-N 1 0 305.338 0.762 20 5 DCBDRO COC(=O)c1ccnc(N2CC([NH2+][C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001651456856 1173748911 /nfs/dbraw/zinc/74/89/11/1173748911.db2.gz HGLNHWVPYYZSQP-VIFPVBQESA-N 1 0 322.321 0.344 20 5 DCBDRO O=c1[nH]ccc(N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001651495593 1173750813 /nfs/dbraw/zinc/75/08/13/1173750813.db2.gz XATGLNMDMTUIRQ-WDEREUQCSA-N 1 0 308.338 0.731 20 5 DCBDRO O=C(CC[N@@H+]1C[C@@H](O)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654688399 1173809739 /nfs/dbraw/zinc/80/97/39/1173809739.db2.gz UUTVDLGQRGSAHC-GXFFZTMASA-N 1 0 309.322 0.208 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3cnccn3)C2)c1 ZINC001655712571 1173825423 /nfs/dbraw/zinc/82/54/23/1173825423.db2.gz HJMVMCIWFGQPDK-YPMHNXCESA-N 1 0 318.337 0.432 20 5 DCBDRO COc1cc(C[NH2+]C[C@@H](O)c2ccnn2C)c([N+](=O)[O-])cc1O ZINC001657031451 1173903922 /nfs/dbraw/zinc/90/39/22/1173903922.db2.gz OSGUQAPBYHMBCN-CYBMUJFWSA-N 1 0 322.321 0.866 20 5 DCBDRO COC1(OC)CCOC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC001660001441 1173938788 /nfs/dbraw/zinc/93/87/88/1173938788.db2.gz GLQCGEAQUOGAOE-NSHDSACASA-N 1 0 314.342 0.467 20 5 DCBDRO O=C(NCCCN1CC[NH+](CC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690057414 1177154888 /nfs/dbraw/zinc/15/48/88/1177154888.db2.gz ADDQFZXCUYXDQH-HUUCEWRRSA-N 1 0 324.425 0.576 20 5 DCBDRO CCCC[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001713798099 1181074430 /nfs/dbraw/zinc/07/44/30/1181074430.db2.gz PHRVMHKLRSUBCO-ZIAGYGMSSA-N 1 0 312.414 0.576 20 5 DCBDRO CCc1onc(C)c1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716292183 1182309720 /nfs/dbraw/zinc/30/97/20/1182309720.db2.gz FJNRYVVJFWLBJM-WPCUQIPDSA-N 1 0 322.365 0.973 20 5 DCBDRO Cc1cnc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cn1 ZINC001724784311 1184556869 /nfs/dbraw/zinc/55/68/69/1184556869.db2.gz DLAGWQXNOUWFDB-CHWSQXEVSA-N 1 0 319.365 0.579 20 5 DCBDRO Cc1noc(CCC[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001731445142 1185336018 /nfs/dbraw/zinc/33/60/18/1185336018.db2.gz XWLJJQLTFZPTSI-DDHJBXDOSA-N 1 0 323.353 0.213 20 5 DCBDRO CN(CC[NH2+]Cc1ccc2c(c1)COC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731910716 1185567483 /nfs/dbraw/zinc/56/74/83/1185567483.db2.gz CXVSPWFJDLOYGK-HUUCEWRRSA-N 1 0 319.361 0.930 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC001754184830 1188776932 /nfs/dbraw/zinc/77/69/32/1188776932.db2.gz BIDAPUYQHJISBS-OWOJBTEDSA-N 1 0 316.321 0.789 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])C[C@@H]21 ZINC001164671896 719396906 /nfs/dbraw/zinc/39/69/06/719396906.db2.gz ZJQJOOLKTUDQGS-UWVGGRQHSA-N 1 0 314.729 0.401 20 5 DCBDRO CC(C)C[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001105235883 748076396 /nfs/dbraw/zinc/07/63/96/748076396.db2.gz YFHNHYGJEGWSQE-CHWSQXEVSA-N 1 0 322.369 0.072 20 5 DCBDRO Cn1nncc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126535538 748958164 /nfs/dbraw/zinc/95/81/64/748958164.db2.gz OBLYBHXDUNQHMJ-UHFFFAOYSA-N 1 0 310.339 0.304 20 5 DCBDRO CNC(=O)NCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126693363 749611841 /nfs/dbraw/zinc/61/18/41/749611841.db2.gz VKEMCMCWPLCGLB-UHFFFAOYSA-N 1 0 323.353 0.120 20 5 DCBDRO Cc1nc(C(C)C)oc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936982 750150463 /nfs/dbraw/zinc/15/04/63/750150463.db2.gz ZUWLSRXNDFZLRO-GHMZBOCLSA-N 1 0 310.354 0.977 20 5 DCBDRO CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC[NH+](CCn2cccn2)CC1 ZINC001045437191 753193910 /nfs/dbraw/zinc/19/39/10/753193910.db2.gz HXCQXSPEGBJFMB-CHWSQXEVSA-N 1 0 321.381 0.519 20 5 DCBDRO Cc1cc(CN(C)c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)n(C)n1 ZINC001166600354 757555162 /nfs/dbraw/zinc/55/51/62/757555162.db2.gz SGWUGVOQMJNELQ-UHFFFAOYSA-N 1 0 317.353 0.750 20 5 DCBDRO CS(=O)(=O)N(c1ncc([N+](=O)[O-])cc1Cl)C1C[NH2+]C1 ZINC001166968613 757987982 /nfs/dbraw/zinc/98/79/82/757987982.db2.gz ZNMCKLPXGBBBOD-UHFFFAOYSA-N 1 0 306.731 0.381 20 5 DCBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC(=O)NC2=O)c([N+](=O)[O-])c1 ZINC001170313278 762607337 /nfs/dbraw/zinc/60/73/37/762607337.db2.gz KKWRCIMIFWFJRW-KOLCDFICSA-N 1 0 321.333 0.787 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cc[n+]([O-])cc1 ZINC001123039856 767919429 /nfs/dbraw/zinc/91/94/29/767919429.db2.gz KDHQFDDWTNQDBN-UHFFFAOYSA-N 1 0 316.317 0.748 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1nc(CC[NH3+])nc1C ZINC001168987302 760544980 /nfs/dbraw/zinc/54/49/80/760544980.db2.gz JVLUIMYKRWGRBN-UHFFFAOYSA-N 1 0 305.294 0.772 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1nc(CC[NH3+])nc1C ZINC001168986290 760545440 /nfs/dbraw/zinc/54/54/40/760545440.db2.gz RMLDSMYETGYHRW-UHFFFAOYSA-N 1 0 320.309 0.475 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001123493960 767986822 /nfs/dbraw/zinc/98/68/22/767986822.db2.gz CXYDIPOVQTYHPT-SWLSCSKDSA-N 1 0 318.377 0.942 20 5 DCBDRO NC(=O)c1ccnc(-n2nnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001170022653 761554639 /nfs/dbraw/zinc/55/46/39/761554639.db2.gz WASOBQTXESNRII-UHFFFAOYSA-N 1 0 313.277 0.281 20 5 DCBDRO CC[NH+]1CCN(C2CN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC001123965132 768086813 /nfs/dbraw/zinc/08/68/13/768086813.db2.gz RTHPQVJJOHVVSU-UHFFFAOYSA-N 1 0 307.354 0.385 20 5 DCBDRO COc1ccnc(NCCOCCOCC[NH3+])c1[N+](=O)[O-] ZINC001170505371 763389514 /nfs/dbraw/zinc/38/95/14/763389514.db2.gz MYZYVOIPSHSYRN-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO COc1ccc([N+](=O)[O-])nc1NCCOCCOCC[NH3+] ZINC001170508691 763408949 /nfs/dbraw/zinc/40/89/49/763408949.db2.gz WPFDZASOJFJBHQ-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2cc(CC[NH3+])cn2)n1 ZINC001158104403 763502490 /nfs/dbraw/zinc/50/24/90/763502490.db2.gz CQXZWIUROYZRRN-UHFFFAOYSA-N 1 0 305.298 0.339 20 5 DCBDRO CN(CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)C[NH+]1CCCC1 ZINC001101633323 764209909 /nfs/dbraw/zinc/20/99/09/764209909.db2.gz LNNARLRHBVMJPZ-UHFFFAOYSA-N 1 0 323.353 0.662 20 5 DCBDRO CN(CCNc1cc[nH]c(=O)c1[N+](=O)[O-])C(=O)CC[NH+](C)C ZINC001101927009 764429536 /nfs/dbraw/zinc/42/95/36/764429536.db2.gz JMEOYDUYAQYUIR-UHFFFAOYSA-N 1 0 311.342 0.517 20 5 DCBDRO CC(=O)N1CCc2cc(N[C@H]3C[NH2+]C[C@H]3CO)cc([N+](=O)[O-])c21 ZINC001170778727 765728725 /nfs/dbraw/zinc/72/87/25/765728725.db2.gz ARKJWELWSRSNOE-AAEUAGOBSA-N 1 0 320.349 0.496 20 5 DCBDRO O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC001116422881 765869611 /nfs/dbraw/zinc/86/96/11/765869611.db2.gz LRMFWYUCHAJLHB-SNVBAGLBSA-N 1 0 323.353 0.549 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ncccn1 ZINC001135600362 766001309 /nfs/dbraw/zinc/00/13/09/766001309.db2.gz SWYQCIGVEOHHJG-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118195119 766252444 /nfs/dbraw/zinc/25/24/44/766252444.db2.gz GNTSVMCYVNRMGN-MNOVXSKESA-N 1 0 308.338 0.485 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001170992537 766370030 /nfs/dbraw/zinc/37/00/30/766370030.db2.gz OOOKPSKOFRWXHU-UHFFFAOYSA-N 1 0 318.717 0.210 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC001121152526 767431783 /nfs/dbraw/zinc/43/17/83/767431783.db2.gz GUJCUUWWJOIYLK-RWMBFGLXSA-N 1 0 321.381 0.980 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)N(CC[NH3+])CCO)c1F ZINC001173177829 769555386 /nfs/dbraw/zinc/55/53/86/769555386.db2.gz WXKDARUJOJKFKT-JTQLQIEISA-N 1 0 315.345 0.927 20 5 DCBDRO C[NH+]1CCC(CCO)(NC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001153340885 769791072 /nfs/dbraw/zinc/79/10/72/769791072.db2.gz ZTAZQJRCYZIFIR-UHFFFAOYSA-N 1 0 301.387 0.785 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001153749710 769914182 /nfs/dbraw/zinc/91/41/82/769914182.db2.gz NCRUNKVCBVLJRV-NSHDSACASA-N 1 0 323.353 0.691 20 5 DCBDRO COC(=O)[C@]1(O)CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC001175668983 769940159 /nfs/dbraw/zinc/94/01/59/769940159.db2.gz JYBISQWPFZEXSU-AWEZNQCLSA-N 1 0 310.306 0.713 20 5 DCBDRO NC(=O)[C@]12CCC[C@H]1C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001176555166 770124819 /nfs/dbraw/zinc/12/48/19/770124819.db2.gz ILJSBOXGJWDNDK-NHYWBVRUSA-N 1 0 320.349 0.344 20 5 DCBDRO Cn1ccnc1CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001154611480 770241757 /nfs/dbraw/zinc/24/17/57/770241757.db2.gz FEMVWJYFJTYNPW-UHFFFAOYSA-N 1 0 318.341 0.140 20 5 DCBDRO COC(=O)c1cnc(N2CCOC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC001154970872 770356687 /nfs/dbraw/zinc/35/66/87/770356687.db2.gz YGZYLKNGDWBDJW-LLVKDONJSA-N 1 0 324.337 0.543 20 5 DCBDRO COC(=O)[C@@H](Nc1nc(C)cc(OC)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001155368549 770478847 /nfs/dbraw/zinc/47/88/47/770478847.db2.gz KPDHLCMACVHWPK-SNVBAGLBSA-N 1 0 312.326 0.998 20 5 DCBDRO COc1ncnc(NCC[C@@H]2CCOC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155476934 770515323 /nfs/dbraw/zinc/51/53/23/770515323.db2.gz JXYKLPOELOSEMI-SECBINFHSA-N 1 0 309.326 0.574 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001155509663 770528983 /nfs/dbraw/zinc/52/89/83/770528983.db2.gz GBCHQZKETJNAGU-XPTSAGLGSA-N 1 0 322.321 0.424 20 5 DCBDRO O=C(NCCCCCC[NH2+]CCn1cccn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178449957 770744729 /nfs/dbraw/zinc/74/47/29/770744729.db2.gz KWVLMTNNHWELPE-ZIAGYGMSSA-N 1 0 323.397 0.815 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CC[N@H+]2C)ccc1[N+](=O)[O-] ZINC001178455793 770758166 /nfs/dbraw/zinc/75/81/66/770758166.db2.gz LIVRNGXQQWEOFX-LBPRGKRZSA-N 1 0 320.349 0.453 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001156831462 770937286 /nfs/dbraw/zinc/93/72/86/770937286.db2.gz XHOZPZDMAFZKPX-UHFFFAOYSA-N 1 0 311.305 0.970 20 5 DCBDRO Cn1cc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])nn1 ZINC001157453693 771612063 /nfs/dbraw/zinc/61/20/63/771612063.db2.gz CEVAVKREVNYOMR-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO Cn1cnc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001157494149 771620078 /nfs/dbraw/zinc/62/00/78/771620078.db2.gz UVVTWYZKRLJXGJ-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO COc1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001157760273 771664561 /nfs/dbraw/zinc/66/45/61/771664561.db2.gz AAUFHHOPKYCGQM-VXGBXAGGSA-N 1 0 308.338 0.351 20 5 DCBDRO Nc1cc(N2CCO[C@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158309578 771757279 /nfs/dbraw/zinc/75/72/79/771757279.db2.gz NVORGAPNWWOQGA-LLVKDONJSA-N 1 0 307.354 0.873 20 5 DCBDRO COc1ccc2ncc([N+](=O)[O-])c(NC[C@@H](O)C[NH+](C)C)c2c1 ZINC001184784753 771826918 /nfs/dbraw/zinc/82/69/18/771826918.db2.gz IOBKVMVMWRDCKN-SNVBAGLBSA-N 1 0 320.349 0.908 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159502458 771920867 /nfs/dbraw/zinc/92/08/67/771920867.db2.gz NBKVQYAXBKNULU-MWLCHTKSSA-N 1 0 324.337 0.955 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1nc(OC)nc(C)c1[N+](=O)[O-] ZINC001159863919 771970523 /nfs/dbraw/zinc/97/05/23/771970523.db2.gz HSTUJQYCQXHFOF-UHFFFAOYSA-N 1 0 313.314 0.030 20 5 DCBDRO COc1cc(N[C@]2(C[NH3+])CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160510796 772053591 /nfs/dbraw/zinc/05/35/91/772053591.db2.gz KGGUEQDIILNVIS-CQSZACIVSA-N 1 0 307.354 0.833 20 5 DCBDRO C[C@@H](CO)CCNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001160602268 772077327 /nfs/dbraw/zinc/07/73/27/772077327.db2.gz GUTOTBORNBZIHO-SNVBAGLBSA-N 1 0 310.358 0.225 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccsn1 ZINC001160698137 772098717 /nfs/dbraw/zinc/09/87/17/772098717.db2.gz RWOQRBJQGFTVTQ-UHFFFAOYSA-N 1 0 324.366 0.695 20 5 DCBDRO COc1ncnc(N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)c1[N+](=O)[O-] ZINC001161277099 772195506 /nfs/dbraw/zinc/19/55/06/772195506.db2.gz PVQTXSWGGOLHRC-MGCOHNPYSA-N 1 0 323.353 0.869 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H](C)CN1CC[NH2+]CC1 ZINC001162098794 772326297 /nfs/dbraw/zinc/32/62/97/772326297.db2.gz WYWUMBKPSBQUMY-JTQLQIEISA-N 1 0 323.353 0.482 20 5 DCBDRO CN(C)c1ccc(N(CC[NH3+])S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001162130825 772330485 /nfs/dbraw/zinc/33/04/85/772330485.db2.gz JAVCALNVMYOEKD-UHFFFAOYSA-N 1 0 302.356 0.386 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)c2ccncc2)nc1C1C[NH2+]C1 ZINC001162551010 772391089 /nfs/dbraw/zinc/39/10/89/772391089.db2.gz CCJKNOCELGZSSJ-GFCCVEGCSA-N 1 0 316.321 0.612 20 5 DCBDRO Cc1cc(NCc2nnn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001162971331 772437537 /nfs/dbraw/zinc/43/75/37/772437537.db2.gz BWIOQFKXDJNLCR-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO COc1cnc(NCc2nnn3c2C[NH2+]CCC3)cc1[N+](=O)[O-] ZINC001162974311 772438098 /nfs/dbraw/zinc/43/80/98/772438098.db2.gz XZPMBJLULOCLIT-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO COc1ncc([N+](=O)[O-])cc1NCc1nnc2n1CCC[NH2+]C2 ZINC001163017787 772444508 /nfs/dbraw/zinc/44/45/08/772444508.db2.gz WBPJGBIZTQSQEP-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163160496 772474848 /nfs/dbraw/zinc/47/48/48/772474848.db2.gz WCRGPICNZVSMFF-VFZGTOFNSA-N 1 0 318.333 0.486 20 5 DCBDRO C[C@@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])c1ccno1 ZINC001163207492 772482529 /nfs/dbraw/zinc/48/25/29/772482529.db2.gz BPKXFFVKVPJYHZ-SECBINFHSA-N 1 0 319.325 0.956 20 5 DCBDRO COc1nc(C)c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163250325 772490896 /nfs/dbraw/zinc/49/08/96/772490896.db2.gz NHRJFYHFEIZWPY-MFKMUULPSA-N 1 0 307.310 0.297 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cc([N+](=O)[O-])c3nccn3c2)N1 ZINC001163252060 772491769 /nfs/dbraw/zinc/49/17/69/772491769.db2.gz TXNADQIMRBOZGL-GXFFZTMASA-N 1 0 302.294 0.233 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)n1 ZINC001163273000 772496989 /nfs/dbraw/zinc/49/69/89/772496989.db2.gz XHUXPFMIHLFHDG-HZMBPMFUSA-N 1 0 323.353 0.964 20 5 DCBDRO Cc1c[n+]([O-])c(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163308403 772504069 /nfs/dbraw/zinc/50/40/69/772504069.db2.gz DFJOJFUVEASNON-FZMZJTMJSA-N 1 0 308.338 0.860 20 5 DCBDRO CN1Cc2cc(N[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)cc([N+](=O)[O-])c2N1 ZINC001163347873 772511510 /nfs/dbraw/zinc/51/15/10/772511510.db2.gz NOERZLUXHANEOH-SUNKGSAMSA-N 1 0 305.338 0.908 20 5 DCBDRO CCOC(=O)CC1([NH3+])CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001163528177 772535642 /nfs/dbraw/zinc/53/56/42/772535642.db2.gz IZYRFBLKFVHCSY-UHFFFAOYSA-N 1 0 323.353 0.823 20 5 DCBDRO O=[N+]([O-])c1cnc(N2C[C@H](CO)C[C@H](F)C2)nc1C1C[NH2+]C1 ZINC001164048258 772608863 /nfs/dbraw/zinc/60/88/63/772608863.db2.gz MYBBVIVRGPZOBS-SCZZXKLOSA-N 1 0 311.317 0.228 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC(O)(C(F)(F)F)C2)nc1C1C[NH2+]C1 ZINC001164168103 772620741 /nfs/dbraw/zinc/62/07/41/772620741.db2.gz RBFYFRQLHCQPBE-UHFFFAOYSA-N 1 0 319.243 0.185 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]3[NH2+]C[C@H]32)n1 ZINC001165392610 772731965 /nfs/dbraw/zinc/73/19/65/772731965.db2.gz CNRQOQAAXQEVJS-NXEZZACHSA-N 1 0 306.326 0.592 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001165436494 772737142 /nfs/dbraw/zinc/73/71/42/772737142.db2.gz JAYSJHDHYSANPR-VIFPVBQESA-N 1 0 314.729 0.903 20 5 DCBDRO N=c1nc([C@H]2CCC[NH2+]2)ccn1-c1ccc([N+](=O)[O-])c(N)n1 ZINC001166700091 772843746 /nfs/dbraw/zinc/84/37/46/772843746.db2.gz CBDMPIGNOYCTDB-MRVPVSSYSA-N 1 0 301.310 0.662 20 5 DCBDRO [NH3+]C[C@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CCO1 ZINC001166938143 772884119 /nfs/dbraw/zinc/88/41/19/772884119.db2.gz QOLAORMRGWBVFP-YFKPBYRVSA-N 1 0 308.125 0.856 20 5 DCBDRO NS(=O)(=O)C[C@@H]1CCCN(Cc2cccnc2[N+](=O)[O-])C1 ZINC001193742505 773103998 /nfs/dbraw/zinc/10/39/98/773103998.db2.gz CHCSDSIXRRIJNK-SNVBAGLBSA-N 1 0 314.367 0.490 20 5 DCBDRO CNC(=O)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001195307808 773374100 /nfs/dbraw/zinc/37/41/00/773374100.db2.gz YFLCIDZLTWNLRZ-NEPJUHHUSA-N 1 0 323.349 0.402 20 5 DCBDRO CNC(=O)NC(=O)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001196908465 773666740 /nfs/dbraw/zinc/66/67/40/773666740.db2.gz QQKOJCCLVHXPJU-AWEZNQCLSA-N 1 0 324.337 0.238 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCC[C@]23CCCO3)c1 ZINC001197286970 773730850 /nfs/dbraw/zinc/73/08/50/773730850.db2.gz ZKBXCEXXTPORGI-MJBXVCDLSA-N 1 0 310.354 0.844 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc(-c2ccncc2)no1 ZINC001224244015 775548420 /nfs/dbraw/zinc/54/84/20/775548420.db2.gz XPOTZEDNCXIOAV-GFCCVEGCSA-N 1 0 321.357 0.632 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(S(C)(=O)=O)cc1 ZINC001225983940 775750081 /nfs/dbraw/zinc/75/00/81/775750081.db2.gz ORZDQGVKVCDSJI-LLVKDONJSA-N 1 0 316.399 0.453 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(Br)ncn1 ZINC001227035393 775915164 /nfs/dbraw/zinc/91/51/64/775915164.db2.gz ZAQJRNQCJDLOEM-MRVPVSSYSA-N 1 0 319.179 0.602 20 5 DCBDRO COC(=O)c1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc1F ZINC001229019171 776149388 /nfs/dbraw/zinc/14/93/88/776149388.db2.gz WLHUBJJZCYEWIJ-SNVBAGLBSA-N 1 0 314.333 0.975 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)Cc1nnc[nH]1 ZINC001317647878 945141182 /nfs/dbraw/zinc/14/11/82/945141182.db2.gz ALWXFYITWBLOOQ-UHFFFAOYSA-N 1 0 318.337 0.504 20 5 DCBDRO Cc1ncsc1CC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001266273334 939039802 /nfs/dbraw/zinc/03/98/02/939039802.db2.gz PSMSWQUSMUMLIZ-GHMZBOCLSA-N 1 0 312.395 0.707 20 5 DCBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1ncn(C)n1 ZINC001481227391 939654921 /nfs/dbraw/zinc/65/49/21/939654921.db2.gz SDAPYQBZFZWARE-UHFFFAOYSA-N 1 0 324.366 0.647 20 5 DCBDRO NC(=O)CC(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001269388366 940697003 /nfs/dbraw/zinc/69/70/03/940697003.db2.gz KYYOSTPCXHJBAZ-UHFFFAOYSA-N 1 0 306.322 0.209 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]23C[NH2+]C[C@@H]2CCN3)n1 ZINC001247838042 945577319 /nfs/dbraw/zinc/57/73/19/945577319.db2.gz RPVUKILTCMYWCV-CPFSXVBKSA-N 1 0 320.284 0.587 20 5 DCBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319474284 945597239 /nfs/dbraw/zinc/59/72/39/945597239.db2.gz NKDBQXVOHMAKCI-NWDGAFQWSA-N 1 0 322.365 0.746 20 5 DCBDRO CON(C)C(=O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001462361925 1013064958 /nfs/dbraw/zinc/06/49/58/1013064958.db2.gz PIRYIELEGPHQIF-JTQLQIEISA-N 1 0 324.337 0.921 20 5 DCBDRO C[C@@]1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC(=O)NC1=O ZINC001254577043 946409945 /nfs/dbraw/zinc/40/99/45/946409945.db2.gz BSJPULAAECWLRL-IAQYHMDHSA-N 1 0 303.318 0.847 20 5 DCBDRO NC(=O)C1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC001254578744 946410012 /nfs/dbraw/zinc/41/00/12/946410012.db2.gz MOULWPKPIACQLG-GFCCVEGCSA-N 1 0 305.334 0.686 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N(C1C[NH2+]C1)S(C)(=O)=O ZINC001254559616 946410750 /nfs/dbraw/zinc/41/07/50/946410750.db2.gz LHVAEGMRNVUYCT-SNVBAGLBSA-N 1 0 313.379 0.759 20 5 DCBDRO CC1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001261494848 947321631 /nfs/dbraw/zinc/32/16/31/947321631.db2.gz HNZZVBLEFHFGNP-UHFFFAOYSA-N 1 0 308.338 0.262 20 5 DCBDRO NC(=O)COC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001324938743 947579575 /nfs/dbraw/zinc/57/95/75/947579575.db2.gz JVZKDDWLTPGOQR-AWEZNQCLSA-N 1 0 323.349 0.595 20 5 DCBDRO O=C(NCC[NH2+]CC[N+](=O)[O-])c1ccc(Br)cn1 ZINC001262577260 947731654 /nfs/dbraw/zinc/73/16/54/947731654.db2.gz LXBCXHHFGLWKBF-UHFFFAOYSA-N 1 0 317.143 0.440 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N1CCOC2(C[NH2+]C2)C1 ZINC001263163637 947816594 /nfs/dbraw/zinc/81/65/94/947816594.db2.gz WDHKRGRTJROGOK-UHFFFAOYSA-N 1 0 323.324 0.867 20 5 DCBDRO Cn1cc(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cn1 ZINC001326822742 948291106 /nfs/dbraw/zinc/29/11/06/948291106.db2.gz PJGFSBRTZATUQP-CHWSQXEVSA-N 1 0 321.381 0.256 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC001328477713 948914965 /nfs/dbraw/zinc/91/49/65/948914965.db2.gz JZNVAWDSPJNFEE-UHFFFAOYSA-N 1 0 320.349 0.500 20 5 DCBDRO NC(=O)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001488718686 949097772 /nfs/dbraw/zinc/09/77/72/949097772.db2.gz SYIAXJBZFDJXKO-TXEJJXNPSA-N 1 0 320.349 0.455 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)ncn1 ZINC001265113413 949320235 /nfs/dbraw/zinc/32/02/35/949320235.db2.gz MFKWWIFHORSAMD-ZIAGYGMSSA-N 1 0 321.381 0.778 20 5 DCBDRO Cc1nc(N2CN(CC[NH+](C)C)C(=O)[C@H]2C)ncc1[N+](=O)[O-] ZINC001329255309 949465824 /nfs/dbraw/zinc/46/58/24/949465824.db2.gz YAJZOKQUKAXXPD-SNVBAGLBSA-N 1 0 308.342 0.249 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC001329513431 949651015 /nfs/dbraw/zinc/65/10/15/949651015.db2.gz BQTWVLDFRCBOOF-VIFPVBQESA-N 1 0 316.321 0.792 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(OCCC[NH2+]CCF)CC1 ZINC001329778472 949866834 /nfs/dbraw/zinc/86/68/34/949866834.db2.gz FQHNRWPJLHAZBK-CHWSQXEVSA-N 1 0 317.361 0.608 20 5 DCBDRO C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nnc2n1CCC2 ZINC001331962856 951411823 /nfs/dbraw/zinc/41/18/23/951411823.db2.gz NTABIHJOSSFRFE-KOLCDFICSA-N 1 0 321.341 0.041 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)CN(S(=O)(=O)[C@H]1CCC[NH2+]C1)C2 ZINC001332816113 951808305 /nfs/dbraw/zinc/80/83/05/951808305.db2.gz PPPVMHJDHSQCHZ-ZDUSSCGKSA-N 1 0 311.363 0.992 20 5 DCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345993145 953780932 /nfs/dbraw/zinc/78/09/32/953780932.db2.gz MYZMOTJBPDNVKN-UWVGGRQHSA-N 1 0 320.349 0.679 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001346296511 953848706 /nfs/dbraw/zinc/84/87/06/953848706.db2.gz NDMSUSNWIXKDMM-FZMZJTMJSA-N 1 0 304.350 0.599 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346567638 953919759 /nfs/dbraw/zinc/91/97/59/953919759.db2.gz YSWUQINAUIJPHZ-IAQYHMDHSA-N 1 0 316.361 0.825 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001350355791 955068218 /nfs/dbraw/zinc/06/82/18/955068218.db2.gz UVIXTOPDKJQREU-LLVKDONJSA-N 1 0 322.365 0.320 20 5 DCBDRO C[C@@]1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C[C@H](O)C[NH2+]1 ZINC001353327397 956021751 /nfs/dbraw/zinc/02/17/51/956021751.db2.gz YMGAQEHJGYDIGQ-ZFWWWQNUSA-N 1 0 305.334 0.592 20 5 DCBDRO C[C@@H]([NH3+])CONC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001357725248 957366887 /nfs/dbraw/zinc/36/68/87/957366887.db2.gz JJLPEYQUKVEHAU-MRVPVSSYSA-N 1 0 306.282 0.184 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001302245447 960016452 /nfs/dbraw/zinc/01/64/52/960016452.db2.gz NIXBGFOTDRWPAB-NSHDSACASA-N 1 0 322.365 0.873 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001304077716 960076454 /nfs/dbraw/zinc/07/64/54/960076454.db2.gz BYANXSOWCCVOAL-JTQLQIEISA-N 1 0 320.349 0.839 20 5 DCBDRO C[C@H]1C[N@H+](CCO)CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307836072 960161773 /nfs/dbraw/zinc/16/17/73/960161773.db2.gz CHEQCXQHFSURLY-SWLSCSKDSA-N 1 0 309.366 0.627 20 5 DCBDRO C[C@H](O)CN(CCO)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001473513820 1016940533 /nfs/dbraw/zinc/94/05/33/1016940533.db2.gz HFDUVHQCYIGODU-JTQLQIEISA-N 1 0 322.321 0.820 20 5 DCBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC001454284213 1009042011 /nfs/dbraw/zinc/04/20/11/1009042011.db2.gz GQFDINIARSIPIW-GASCZTMLSA-N 1 0 319.365 0.986 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC001454608732 1009224054 /nfs/dbraw/zinc/22/40/54/1009224054.db2.gz NWFTZAFEZSLGLM-JTQLQIEISA-N 1 0 322.365 0.752 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001456299563 1010177999 /nfs/dbraw/zinc/17/79/99/1010177999.db2.gz VLSUJMNJSLZJNU-GFCCVEGCSA-N 1 0 305.334 0.727 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001458393369 1012168190 /nfs/dbraw/zinc/16/81/90/1012168190.db2.gz GOJPGRITAKCYMG-KOLCDFICSA-N 1 0 306.322 0.917 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556895181 1012238385 /nfs/dbraw/zinc/23/83/85/1012238385.db2.gz JNTHUQUXKYZTCI-ZANVPECISA-N 1 0 305.338 0.504 20 5 DCBDRO Cn1c(=O)c([N+](=O)[O-])c(NC[C@@H](O)C[NH+](C)C)c2ccccc21 ZINC001559064978 1012403807 /nfs/dbraw/zinc/40/38/07/1012403807.db2.gz GLUKRVZSLZYBEX-SNVBAGLBSA-N 1 0 320.349 0.781 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000330903332 232150305 /nfs/dbraw/zinc/15/03/05/232150305.db2.gz LPDAHGZWZLJISH-WDEREUQCSA-N 1 0 308.338 0.355 20 5 DCBDRO COC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000279634333 215021275 /nfs/dbraw/zinc/02/12/75/215021275.db2.gz CGQOAKURGKOHIP-JQWIXIFHSA-N 1 0 311.338 0.909 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[NH2+]CC1 ZINC000423617270 282580524 /nfs/dbraw/zinc/58/05/24/282580524.db2.gz XNKUFRUVDQPJHD-UHFFFAOYSA-N 1 0 320.349 0.375 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000331746438 234075459 /nfs/dbraw/zinc/07/54/59/234075459.db2.gz ZHGZJIJXNYAQNL-UKRRQHHQSA-N 1 0 324.381 0.901 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000281158696 216119636 /nfs/dbraw/zinc/11/96/36/216119636.db2.gz LGXHMTHXPOKZOL-ZDUSSCGKSA-N 1 0 312.326 0.501 20 5 DCBDRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160272440 291238099 /nfs/dbraw/zinc/23/80/99/291238099.db2.gz NTMSTWXVGJJTOA-UHFFFAOYSA-N 1 0 324.381 0.866 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1 ZINC000315438633 291253292 /nfs/dbraw/zinc/25/32/92/291253292.db2.gz YWZKVIKTYIWPAF-RDBSUJKOSA-N 1 0 309.370 0.369 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000320712054 291257139 /nfs/dbraw/zinc/25/71/39/291257139.db2.gz KMOPAIIGIBWIPL-ZFWWWQNUSA-N 1 0 320.349 0.345 20 5 DCBDRO [NH3+]C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000423958001 240249226 /nfs/dbraw/zinc/24/92/26/240249226.db2.gz LZKUKKAQHAOCCO-LBPRGKRZSA-N 1 0 308.338 0.390 20 5 DCBDRO Cn1cncc1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567378818 291351833 /nfs/dbraw/zinc/35/18/33/291351833.db2.gz SADOGOREBOJATF-GFCCVEGCSA-N 1 0 306.322 0.858 20 5 DCBDRO C[C@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000567698080 291370776 /nfs/dbraw/zinc/37/07/76/291370776.db2.gz ZIVVXJUFNAUTMX-IUODEOHRSA-N 1 0 323.349 0.593 20 5 DCBDRO C[NH+](C)CCC1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000264925859 204275736 /nfs/dbraw/zinc/27/57/36/204275736.db2.gz QZKHXSLFMNYKRV-UHFFFAOYSA-N 1 0 309.370 0.982 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCn1ccnc1 ZINC000572631234 291580413 /nfs/dbraw/zinc/58/04/13/291580413.db2.gz BYIZGROJGXEZRU-GFCCVEGCSA-N 1 0 306.322 0.821 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000021813536 182293079 /nfs/dbraw/zinc/29/30/79/182293079.db2.gz LDGVDQBSCMXGDP-VIFPVBQESA-N 1 0 315.351 0.715 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141176 291614268 /nfs/dbraw/zinc/61/42/68/291614268.db2.gz UXEKBWWKKLEVCX-VXGBXAGGSA-N 1 0 319.321 0.371 20 5 DCBDRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000339726680 253134585 /nfs/dbraw/zinc/13/45/85/253134585.db2.gz RJQBJYFLWCFKLV-STQMWFEESA-N 1 0 312.370 0.539 20 5 DCBDRO C[NH+](C)CC[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)C(C)(C)C ZINC000340894007 253318927 /nfs/dbraw/zinc/31/89/27/253318927.db2.gz JEVUZJITDKPQNH-SNVBAGLBSA-N 1 0 312.374 0.669 20 5 DCBDRO COCC[N@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000272985066 210363730 /nfs/dbraw/zinc/36/37/30/210363730.db2.gz DRRHHHYFDMSHJI-GFCCVEGCSA-N 1 0 314.338 0.275 20 5 DCBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000349300763 254279869 /nfs/dbraw/zinc/27/98/69/254279869.db2.gz TXUNPZZTZDDIAJ-JTQLQIEISA-N 1 0 312.322 0.959 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000349935922 254305396 /nfs/dbraw/zinc/30/53/96/254305396.db2.gz KXJUVBGTHACGSF-VHSXEESVSA-N 1 0 324.337 0.646 20 5 DCBDRO O=C(NCC[NH+]1CCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351517417 254341800 /nfs/dbraw/zinc/34/18/00/254341800.db2.gz NSRSNVMTBHYSQL-UHFFFAOYSA-N 1 0 324.312 0.884 20 5 DCBDRO C[C@@H](CO)[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000351522204 254342960 /nfs/dbraw/zinc/34/29/60/254342960.db2.gz JFIPEOXAWTVVGY-SMDDNHRTSA-N 1 0 312.370 0.778 20 5 DCBDRO C[NH2+]CCCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000036298069 395722896 /nfs/dbraw/zinc/72/28/96/395722896.db2.gz YAGFTHUUXLAUDM-UHFFFAOYSA-N 1 0 303.340 0.491 20 5 DCBDRO CN1CC[NH+](CCCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000042059881 395742654 /nfs/dbraw/zinc/74/26/54/395742654.db2.gz OSWSJBZISNDCCH-UHFFFAOYSA-N 1 0 309.370 0.680 20 5 DCBDRO CCOc1ccc(C(=O)NCC[NH2+]CCOC)cc1[N+](=O)[O-] ZINC000237080805 395902489 /nfs/dbraw/zinc/90/24/89/395902489.db2.gz RZZBSUOGAGQFHK-UHFFFAOYSA-N 1 0 311.338 0.959 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH+](CC2CC2)CC1 ZINC000125842164 395906552 /nfs/dbraw/zinc/90/65/52/395906552.db2.gz WKYWSAAWWRPCLW-UHFFFAOYSA-N 1 0 306.322 0.863 20 5 DCBDRO COc1cc(OCC(=O)NCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000237226238 395907882 /nfs/dbraw/zinc/90/78/82/395907882.db2.gz DURZIMHCUUWRMD-UHFFFAOYSA-N 1 0 309.322 0.850 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000238142835 395922136 /nfs/dbraw/zinc/92/21/36/395922136.db2.gz ORYZJTJJQICTDX-NSHDSACASA-N 1 0 308.338 0.262 20 5 DCBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000272135852 395872198 /nfs/dbraw/zinc/87/21/98/395872198.db2.gz CRAIWBGBNVJQJR-NSHDSACASA-N 1 0 309.370 0.980 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000274780647 395976168 /nfs/dbraw/zinc/97/61/68/395976168.db2.gz LIVKLBFVVHXUIW-SECBINFHSA-N 1 0 305.294 0.271 20 5 DCBDRO O=C1NC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000154421833 396037484 /nfs/dbraw/zinc/03/74/84/396037484.db2.gz MOAAUIIEQLGWOI-OLZOCXBDSA-N 1 0 306.322 0.338 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000261849076 396072122 /nfs/dbraw/zinc/07/21/22/396072122.db2.gz XAXOFLWGIVIDRJ-MRVPVSSYSA-N 1 0 315.351 0.336 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](CCO)CCO ZINC000154921205 396044868 /nfs/dbraw/zinc/04/48/68/396044868.db2.gz DBVGQYRSSQQMEC-UHFFFAOYSA-N 1 0 311.338 0.518 20 5 DCBDRO CC(C)NS(=O)(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000277095711 396049308 /nfs/dbraw/zinc/04/93/08/396049308.db2.gz VUQJAUONQWNELW-UHFFFAOYSA-N 1 0 316.383 0.517 20 5 DCBDRO COCC1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CC[NH2+]CC1 ZINC000261636866 396050845 /nfs/dbraw/zinc/05/08/45/396050845.db2.gz BTDQKHIEGRGUJA-UHFFFAOYSA-N 1 0 322.365 0.923 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261679591 396055271 /nfs/dbraw/zinc/05/52/71/396055271.db2.gz MIXDVQHBTFCMRJ-ZWNOBZJWSA-N 1 0 311.363 0.967 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000156483930 396061876 /nfs/dbraw/zinc/06/18/76/396061876.db2.gz UREBOZNYCDMVBN-BXKDBHETSA-N 1 0 315.351 0.332 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])nc1C ZINC000152327614 396006541 /nfs/dbraw/zinc/00/65/41/396006541.db2.gz GJIOJTFIOIONRU-UHFFFAOYSA-N 1 0 313.358 0.184 20 5 DCBDRO C[N@H+](CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000066924484 396018309 /nfs/dbraw/zinc/01/83/09/396018309.db2.gz ZEZAQMRHAGAJOD-UHFFFAOYSA-N 1 0 320.349 0.535 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCO1 ZINC000163149446 396085897 /nfs/dbraw/zinc/08/58/97/396085897.db2.gz QFZWAQDJDDVMLJ-WRWORJQWSA-N 1 0 312.301 0.504 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[NH2+]CC1 ZINC000262037792 396092272 /nfs/dbraw/zinc/09/22/72/396092272.db2.gz ZXORPHRPRWZJCW-UHFFFAOYSA-N 1 0 308.338 0.837 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)c2ccccc2)c1 ZINC000170846600 396098583 /nfs/dbraw/zinc/09/85/83/396098583.db2.gz IRSUXFVOQQVUNL-KBPBESRZSA-N 1 0 306.322 0.475 20 5 DCBDRO CO[C@@H](C[NH3+])C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000262523124 396150254 /nfs/dbraw/zinc/15/02/54/396150254.db2.gz OLOQOLDBJKRIHM-ZDUSSCGKSA-N 1 0 308.338 0.217 20 5 DCBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CC[NH+](C)CC1 ZINC000178199862 396190740 /nfs/dbraw/zinc/19/07/40/396190740.db2.gz LNRCRPQVPCEKED-LLVKDONJSA-N 1 0 321.381 0.543 20 5 DCBDRO C[C@@H]([NH3+])C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000178860201 396212055 /nfs/dbraw/zinc/21/20/55/396212055.db2.gz NVECCPFUMSWUBK-SNVBAGLBSA-N 1 0 308.338 0.342 20 5 DCBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000077817768 396234287 /nfs/dbraw/zinc/23/42/87/396234287.db2.gz PQHNHJDJMZSUDU-LLVKDONJSA-N 1 0 320.349 0.910 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000264478437 396283393 /nfs/dbraw/zinc/28/33/93/396283393.db2.gz HKORBMMSLYFOJN-GFCCVEGCSA-N 1 0 323.349 0.811 20 5 DCBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000184384826 396293420 /nfs/dbraw/zinc/29/34/20/396293420.db2.gz NKKBWXHJMSKOGG-LLVKDONJSA-N 1 0 310.354 0.944 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])c(F)cc1N ZINC000283011317 396299118 /nfs/dbraw/zinc/29/91/18/396299118.db2.gz HDJTZVZEOPGUQM-UHFFFAOYSA-N 1 0 314.317 0.360 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@@H+]1C1CC1 ZINC000185281829 396323829 /nfs/dbraw/zinc/32/38/29/396323829.db2.gz STOFKFBYRYBCGK-BDAKNGLRSA-N 1 0 305.338 0.927 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCC(=O)N(C)C)CC2)n1 ZINC000268849166 396375032 /nfs/dbraw/zinc/37/50/32/396375032.db2.gz XPTPFWFEKIZVDB-UHFFFAOYSA-N 1 0 321.381 0.899 20 5 DCBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nncn1C ZINC000285400557 396350049 /nfs/dbraw/zinc/35/00/49/396350049.db2.gz OPVVCFGPOIUVFF-CYBMUJFWSA-N 1 0 320.353 0.872 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371452096 396466904 /nfs/dbraw/zinc/46/69/04/396466904.db2.gz QAVUVQDEEOZPRZ-NWDGAFQWSA-N 1 0 307.354 0.924 20 5 DCBDRO C[C@H](C[S@](C)=O)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580184383 396491717 /nfs/dbraw/zinc/49/17/17/396491717.db2.gz XUSZTSKQSOPIPQ-VPOQAHPWSA-N 1 0 316.379 0.691 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C)C[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000581549695 396564526 /nfs/dbraw/zinc/56/45/26/396564526.db2.gz DJWWIXFFWGSYQN-GHMZBOCLSA-N 1 0 322.365 0.875 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC000373395070 396588412 /nfs/dbraw/zinc/58/84/12/396588412.db2.gz SWUFBSOVGMPVDD-BXKDBHETSA-N 1 0 305.338 0.738 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C2CC2)O1 ZINC000373430553 396590971 /nfs/dbraw/zinc/59/09/71/396590971.db2.gz HHTVNTPLAFSZFA-DDTOSNHZSA-N 1 0 310.354 0.652 20 5 DCBDRO CO[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC(C)C ZINC000584716157 396617315 /nfs/dbraw/zinc/61/73/15/396617315.db2.gz FWXQNFGRGRINQE-QWHCGFSZSA-N 1 0 300.359 0.803 20 5 DCBDRO C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000586779807 396665581 /nfs/dbraw/zinc/66/55/81/396665581.db2.gz HMWXTWWJYRFLSO-JTQLQIEISA-N 1 0 322.369 0.216 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295284781 396689874 /nfs/dbraw/zinc/68/98/74/396689874.db2.gz TZCIXTWZTOMDAD-ONGXEEELSA-N 1 0 308.338 0.567 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000563003884 396692231 /nfs/dbraw/zinc/69/22/31/396692231.db2.gz XYULCVGTCAJOPO-ZFWWWQNUSA-N 1 0 323.397 0.759 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860137 396695721 /nfs/dbraw/zinc/69/57/21/396695721.db2.gz DXSONEYXJHTPMU-UONOGXRCSA-N 1 0 319.361 0.805 20 5 DCBDRO C[NH+](C)C[C@@H](CO)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000589101355 396704451 /nfs/dbraw/zinc/70/44/51/396704451.db2.gz ALJYESXXNIGRBN-JTQLQIEISA-N 1 0 308.338 0.814 20 5 DCBDRO NC(=O)c1cc(N2CC[NH+](CCCO)CC2)ccc1[N+](=O)[O-] ZINC000596097001 396716697 /nfs/dbraw/zinc/71/66/97/396716697.db2.gz BPYJXIUOHYECHR-UHFFFAOYSA-N 1 0 308.338 0.198 20 5 DCBDRO C[N@H+](CCCO)C1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596129209 396722175 /nfs/dbraw/zinc/72/21/75/396722175.db2.gz QKWSKJGXSGVBAU-UHFFFAOYSA-N 1 0 310.354 0.978 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315219603 396788964 /nfs/dbraw/zinc/78/89/64/396788964.db2.gz JSCKYYOUEBQAIK-ZDUSSCGKSA-N 1 0 307.354 0.622 20 5 DCBDRO C[C@H](CNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000596238876 396741037 /nfs/dbraw/zinc/74/10/37/396741037.db2.gz ZZLNZMSJTMSKNA-SECBINFHSA-N 1 0 316.383 0.852 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000590386063 396766554 /nfs/dbraw/zinc/76/65/54/396766554.db2.gz UATWQEVNIGOBAV-UWVGGRQHSA-N 1 0 311.342 0.017 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2nccn2C(F)F)c1 ZINC000563952284 396797938 /nfs/dbraw/zinc/79/79/38/396797938.db2.gz DRSYGWWQHIVIOL-SECBINFHSA-N 1 0 316.268 0.534 20 5 DCBDRO CCC(CC)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)OC ZINC000313970664 396776512 /nfs/dbraw/zinc/77/65/12/396776512.db2.gz KJOAVNVWPPFIMU-GFCCVEGCSA-N 1 0 300.359 0.947 20 5 DCBDRO C[C@](CO)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000322480699 396818659 /nfs/dbraw/zinc/81/86/59/396818659.db2.gz BQCKSFOBYXGLLO-HUUCEWRRSA-N 1 0 320.349 0.650 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000611442800 396866201 /nfs/dbraw/zinc/86/62/01/396866201.db2.gz BMRZCUQKGOXVCO-CQSZACIVSA-N 1 0 323.397 0.896 20 5 DCBDRO COc1cc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000317566183 396802859 /nfs/dbraw/zinc/80/28/59/396802859.db2.gz FUXIUKDHMPJDQJ-NOZJJQNGSA-N 1 0 309.322 0.792 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000317538323 396803511 /nfs/dbraw/zinc/80/35/11/396803511.db2.gz KFLBWPHUMJLNQY-UHFFFAOYSA-N 1 0 306.322 0.065 20 5 DCBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000318068688 396804939 /nfs/dbraw/zinc/80/49/39/396804939.db2.gz VOJIEOWCHPYXAP-UHFFFAOYSA-N 1 0 307.350 0.976 20 5 DCBDRO CN(C)C(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000564096190 396809498 /nfs/dbraw/zinc/80/94/98/396809498.db2.gz HGJNAYBSGLSAOK-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c2nccn21 ZINC000564205560 396814830 /nfs/dbraw/zinc/81/48/30/396814830.db2.gz ZLQAMNCZGJJUHQ-USWWRNFRSA-N 1 0 306.326 0.644 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591294681 396896289 /nfs/dbraw/zinc/89/62/89/396896289.db2.gz GUCDAFRLMKERJV-UHFFFAOYSA-N 1 0 306.322 0.710 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000591351664 396905601 /nfs/dbraw/zinc/90/56/01/396905601.db2.gz KLOAGJHDZUXTQJ-NSHDSACASA-N 1 0 308.338 0.977 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600808126 396946616 /nfs/dbraw/zinc/94/66/16/396946616.db2.gz IYFABBWWGMNMQU-NSHDSACASA-N 1 0 309.322 0.400 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCn1cncn1 ZINC000612029950 396983764 /nfs/dbraw/zinc/98/37/64/396983764.db2.gz YXAYBOOKMYKCHV-GFCCVEGCSA-N 1 0 321.337 0.606 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccn3ccnc3c2)c1 ZINC000591754397 396997530 /nfs/dbraw/zinc/99/75/30/396997530.db2.gz IYLVHRZAQYSCDT-CYBMUJFWSA-N 1 0 316.321 0.590 20 5 DCBDRO CCC1(O)CCC([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591757567 396998862 /nfs/dbraw/zinc/99/88/62/396998862.db2.gz HPOAZASUSOQGSG-HRDQMINSSA-N 1 0 312.370 0.826 20 5 DCBDRO O=C1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])N1 ZINC000591763687 396998869 /nfs/dbraw/zinc/99/88/69/396998869.db2.gz BNHQNIABXZFHGU-NWDGAFQWSA-N 1 0 323.349 0.593 20 5 DCBDRO O=[N+]([O-])c1cccc(-n2cc(CCN3CC[NH2+]CC3)nn2)c1 ZINC000600966408 396974038 /nfs/dbraw/zinc/97/40/38/396974038.db2.gz NUKRYNIPBYAMJZ-UHFFFAOYSA-N 1 0 302.338 0.623 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C[C@H]2CCOC2)cc1 ZINC000612610452 397103557 /nfs/dbraw/zinc/10/35/57/397103557.db2.gz HVQFOWNSIIHVKT-LLVKDONJSA-N 1 0 314.363 0.995 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 ZINC000597652942 397044730 /nfs/dbraw/zinc/04/47/30/397044730.db2.gz GHYMSDWBOAJHAS-LBPRGKRZSA-N 1 0 323.349 0.596 20 5 DCBDRO CCOc1ccc(C(=O)N[C@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000597654257 397046291 /nfs/dbraw/zinc/04/62/91/397046291.db2.gz REUWOKXYMOSIOJ-NSHDSACASA-N 1 0 311.338 0.646 20 5 DCBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601326428 397057860 /nfs/dbraw/zinc/05/78/60/397057860.db2.gz FCBXIXLPIOKCON-JQWIXIFHSA-N 1 0 318.333 0.939 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N(C)[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000592297069 397144824 /nfs/dbraw/zinc/14/48/24/397144824.db2.gz FMCRNXJCECTJMQ-LBPRGKRZSA-N 1 0 320.349 0.453 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CCO1 ZINC000592326583 397154285 /nfs/dbraw/zinc/15/42/85/397154285.db2.gz QRTPDUKHNCZCPQ-SNVBAGLBSA-N 1 0 323.305 0.166 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000592363518 397160218 /nfs/dbraw/zinc/16/02/18/397160218.db2.gz CAOPQRFMNCPGCS-SECBINFHSA-N 1 0 315.351 0.634 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCC[NH2+]C1 ZINC000592363520 397160472 /nfs/dbraw/zinc/16/04/72/397160472.db2.gz CAOPQRFMNCPGCS-VIFPVBQESA-N 1 0 315.351 0.634 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCc2ccc(CO)cc2)c1 ZINC000592430595 397174715 /nfs/dbraw/zinc/17/47/15/397174715.db2.gz VGCYBEXZHDYGPI-HNNXBMFYSA-N 1 0 320.349 0.477 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000592430819 397175169 /nfs/dbraw/zinc/17/51/69/397175169.db2.gz LBKUSVHXROUTMR-OUCADQQQSA-N 1 0 308.334 0.861 20 5 DCBDRO CN(C)C[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592432171 397176212 /nfs/dbraw/zinc/17/62/12/397176212.db2.gz JWUMCWUONKYJPI-LLVKDONJSA-N 1 0 310.354 0.436 20 5 DCBDRO Cc1cc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000572900637 397110760 /nfs/dbraw/zinc/11/07/60/397110760.db2.gz MCCLJHFQGHGNMG-VXGBXAGGSA-N 1 0 318.333 0.287 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000378167553 397203813 /nfs/dbraw/zinc/20/38/13/397203813.db2.gz CBEOGNHYDIMPFQ-NEPJUHHUSA-N 1 0 322.369 0.717 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000592547689 397207547 /nfs/dbraw/zinc/20/75/47/397207547.db2.gz JVYFYGGYTCVZLZ-ZDUSSCGKSA-N 1 0 321.333 0.501 20 5 DCBDRO C[C@@H](CCC[NH3+])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592554611 397212285 /nfs/dbraw/zinc/21/22/85/397212285.db2.gz JOMZWBSNGQOMEH-QWRGUYRKSA-N 1 0 322.365 0.957 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000598562129 397249304 /nfs/dbraw/zinc/24/93/04/397249304.db2.gz ULNQFPOCUBMZLJ-LBPRGKRZSA-N 1 0 322.369 0.425 20 5 DCBDRO CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000598663945 397270067 /nfs/dbraw/zinc/27/00/67/397270067.db2.gz CGIJXWUUIMZREP-UHFFFAOYSA-N 1 0 321.337 0.664 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598662475 397270215 /nfs/dbraw/zinc/27/02/15/397270215.db2.gz PGQLXKULPPJPDY-LLVKDONJSA-N 1 0 321.337 0.537 20 5 DCBDRO C[C@@H](CCC[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666350 397271039 /nfs/dbraw/zinc/27/10/39/397271039.db2.gz XVRIOAWGVWQNQV-JTQLQIEISA-N 1 0 323.353 0.960 20 5 DCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598668196 397271998 /nfs/dbraw/zinc/27/19/98/397271998.db2.gz MPBHAOVMVLJQDT-UWVGGRQHSA-N 1 0 323.353 0.958 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601975473 397278543 /nfs/dbraw/zinc/27/85/43/397278543.db2.gz VNZPEJWMRHRNDA-SCRDCRAPSA-N 1 0 308.334 0.913 20 5 DCBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914063 397306673 /nfs/dbraw/zinc/30/66/73/397306673.db2.gz WUHGWKKXKUFMQL-VHSXEESVSA-N 1 0 306.322 0.729 20 5 DCBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCN2CC[C@@H](O)C2)n1 ZINC000599085085 397332731 /nfs/dbraw/zinc/33/27/31/397332731.db2.gz LPPVLBJDGXXRKS-MCIONIFRSA-N 1 0 323.397 0.931 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098870 397336038 /nfs/dbraw/zinc/33/60/38/397336038.db2.gz ZSYDUOUFZXTEBM-IUCAKERBSA-N 1 0 317.371 0.219 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602589502 397444195 /nfs/dbraw/zinc/44/41/95/397444195.db2.gz FAJOFEUNJBVCTB-AOOOYVTPSA-N 1 0 319.317 0.942 20 5 DCBDRO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367583842 397404889 /nfs/dbraw/zinc/40/48/89/397404889.db2.gz GDRHZZNLBASSKP-CHWSQXEVSA-N 1 0 309.370 0.586 20 5 DCBDRO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000367583843 397405318 /nfs/dbraw/zinc/40/53/18/397405318.db2.gz GDRHZZNLBASSKP-OLZOCXBDSA-N 1 0 309.370 0.586 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594204687 397513293 /nfs/dbraw/zinc/51/32/93/397513293.db2.gz WRAPIXARHQSROI-STQMWFEESA-N 1 0 307.354 0.924 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000602890190 397513884 /nfs/dbraw/zinc/51/38/84/397513884.db2.gz XJHLJHLQMAMCGV-NEPJUHHUSA-N 1 0 307.354 0.700 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000610069732 397802056 /nfs/dbraw/zinc/80/20/56/397802056.db2.gz RPQMIINXCFUABL-LLVKDONJSA-N 1 0 308.342 0.131 20 5 DCBDRO CC(C)[C@H]([NH3+])CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000070447330 158047659 /nfs/dbraw/zinc/04/76/59/158047659.db2.gz JHWSAVVQDJPKRR-GFCCVEGCSA-N 1 0 301.368 0.998 20 5 DCBDRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086471328 158091495 /nfs/dbraw/zinc/09/14/95/158091495.db2.gz ZBDYVYHRKRUHKL-RKDXNWHRSA-N 1 0 314.367 0.429 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106789637 158134002 /nfs/dbraw/zinc/13/40/02/158134002.db2.gz AGMLDUDMSKKGHL-LLVKDONJSA-N 1 0 307.354 0.924 20 5 DCBDRO CC(C)[NH+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000125862284 158260627 /nfs/dbraw/zinc/26/06/27/158260627.db2.gz FJICQPBRQCTMHP-UHFFFAOYSA-N 1 0 324.381 0.992 20 5 DCBDRO CC[C@@](C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000133556682 158320990 /nfs/dbraw/zinc/32/09/90/158320990.db2.gz GGGKEAIKWIKQPZ-SMDDNHRTSA-N 1 0 311.338 0.578 20 5 DCBDRO Cn1c(C(=O)N2CCC(OCCC[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000316451408 159002802 /nfs/dbraw/zinc/00/28/02/159002802.db2.gz OEEWQOIHZBDPNW-UHFFFAOYSA-N 1 0 310.354 0.903 20 5 DCBDRO Nc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000320727501 159010807 /nfs/dbraw/zinc/01/08/07/159010807.db2.gz DQSZZFURJZPPAW-NEPJUHHUSA-N 1 0 320.349 0.770 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000331432860 159208283 /nfs/dbraw/zinc/20/82/83/159208283.db2.gz DBAJHMTZHUZJLP-OCCSQVGLSA-N 1 0 311.386 0.568 20 5 DCBDRO NC(=O)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308138 159330538 /nfs/dbraw/zinc/33/05/38/159330538.db2.gz NIGKXEAYXUPCPF-AAEUAGOBSA-N 1 0 323.349 0.532 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000367822135 159357918 /nfs/dbraw/zinc/35/79/18/159357918.db2.gz KFWWXKFFVWAOKA-UKRRQHHQSA-N 1 0 324.381 0.901 20 5 DCBDRO O=C(c1cn(-c2cccc([N+](=O)[O-])c2)nn1)N1CCC[NH2+]CC1 ZINC000237875857 287067375 /nfs/dbraw/zinc/06/73/75/287067375.db2.gz AOZTZRIDVZMGKI-UHFFFAOYSA-N 1 0 316.321 0.611 20 5 DCBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000362015502 287217217 /nfs/dbraw/zinc/21/72/17/287217217.db2.gz OHAXVGMUFVXXFS-OCCSQVGLSA-N 1 0 323.349 0.977 20 5 DCBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000370730892 287224245 /nfs/dbraw/zinc/22/42/45/287224245.db2.gz REFHEVBNOIRJOZ-QWRGUYRKSA-N 1 0 317.342 0.714 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418378888 287246540 /nfs/dbraw/zinc/24/65/40/287246540.db2.gz JWMBIDVPZBCJHD-LBPRGKRZSA-N 1 0 319.365 0.788 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420414780 287296911 /nfs/dbraw/zinc/29/69/11/287296911.db2.gz HQPFZVWPAWFYSG-NSHDSACASA-N 1 0 315.395 0.912 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000268199139 415175124 /nfs/dbraw/zinc/17/51/24/415175124.db2.gz ODXDIJWHMHBZGG-MFKMUULPSA-N 1 0 307.354 0.780 20 5 DCBDRO [NH3+]C[C@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000269191747 415249252 /nfs/dbraw/zinc/24/92/52/415249252.db2.gz JYALGMXITWLHHN-JTQLQIEISA-N 1 0 307.306 0.833 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000342734186 415274627 /nfs/dbraw/zinc/27/46/27/415274627.db2.gz MOTBVLYYFQJZAT-GHMZBOCLSA-N 1 0 324.385 0.553 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])n1 ZINC000424361902 287305449 /nfs/dbraw/zinc/30/54/49/287305449.db2.gz KLUVRMDVYNHJFJ-RKDXNWHRSA-N 1 0 317.371 0.359 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])n1 ZINC000353213892 415477345 /nfs/dbraw/zinc/47/73/45/415477345.db2.gz DJEOEQOAEMRPQQ-VIFPVBQESA-N 1 0 317.371 0.089 20 5 DCBDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000279699500 415522251 /nfs/dbraw/zinc/52/22/51/415522251.db2.gz IQBJKUDHSHLPFX-ZDUSSCGKSA-N 1 0 324.381 0.409 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353402191 415529993 /nfs/dbraw/zinc/52/99/93/415529993.db2.gz QJYHFLQEBMXNOM-NWDGAFQWSA-N 1 0 307.354 0.558 20 5 DCBDRO C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N1 ZINC000296211941 415914816 /nfs/dbraw/zinc/91/48/16/415914816.db2.gz NJZNPVKUTZAVNX-JTQLQIEISA-N 1 0 306.322 0.744 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000153119890 415974360 /nfs/dbraw/zinc/97/43/60/415974360.db2.gz PPWNKJVHXQFPOL-AWEZNQCLSA-N 1 0 310.354 0.436 20 5 DCBDRO CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[N@H+](C)C1 ZINC000153932538 415989661 /nfs/dbraw/zinc/98/96/61/415989661.db2.gz FFUSYONSQCKECC-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCNC1=O ZINC000337296485 415938321 /nfs/dbraw/zinc/93/83/21/415938321.db2.gz JNSSGGJMIQRUMK-GFCCVEGCSA-N 1 0 306.322 0.744 20 5 DCBDRO COC(=O)c1cnc(NCCOCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000357683994 416116730 /nfs/dbraw/zinc/11/67/30/416116730.db2.gz AJVVGMQPLAYDMO-UHFFFAOYSA-N 1 0 312.326 0.767 20 5 DCBDRO C[C@H](CCNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000345745951 416144332 /nfs/dbraw/zinc/14/43/32/416144332.db2.gz FPHGTUCSQFAYLC-LLVKDONJSA-N 1 0 310.358 0.567 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000358058245 416181650 /nfs/dbraw/zinc/18/16/50/416181650.db2.gz CIBJPNCYHREBPX-CQSZACIVSA-N 1 0 309.322 0.156 20 5 DCBDRO CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[C@H]1CC[NH2+]C1 ZINC000179103697 416183139 /nfs/dbraw/zinc/18/31/39/416183139.db2.gz LAUZQBRMJYVIQQ-LBPRGKRZSA-N 1 0 316.321 0.609 20 5 DCBDRO O=C(NCCNc1cc[nH+]cc1)Nc1ccncc1[N+](=O)[O-] ZINC000346007254 416183627 /nfs/dbraw/zinc/18/36/27/416183627.db2.gz ZWYLYVZNSWCMMC-UHFFFAOYSA-N 1 0 302.294 0.462 20 5 DCBDRO COc1cc(CNC[C@@]2(O)CC[N@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000358163215 416203976 /nfs/dbraw/zinc/20/39/76/416203976.db2.gz IRQLVUIOFBPXQZ-AWEZNQCLSA-N 1 0 311.338 0.465 20 5 DCBDRO C[C@@H](CN1CCOCC1)NC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183561925 416245730 /nfs/dbraw/zinc/24/57/30/416245730.db2.gz IXKSEFFQFATOCN-JTQLQIEISA-N 1 0 309.326 0.832 20 5 DCBDRO C[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CC(C)(C)O ZINC000331288009 416301690 /nfs/dbraw/zinc/30/16/90/416301690.db2.gz IFTWCPJSCQBMPA-LLVKDONJSA-N 1 0 311.386 0.605 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000358947231 416297230 /nfs/dbraw/zinc/29/72/30/416297230.db2.gz SGWDIEZHJJSPAN-LLVKDONJSA-N 1 0 322.365 0.829 20 5 DCBDRO CC[N@H+](CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000263661911 416338767 /nfs/dbraw/zinc/33/87/67/416338767.db2.gz AWVDYZQWFAXROD-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415465913 416344465 /nfs/dbraw/zinc/34/44/65/416344465.db2.gz SVXJQXAPOOWKKD-QPUJVOFHSA-N 1 0 324.312 0.916 20 5 DCBDRO O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N1CC[NH2+]CC1 ZINC000237886496 416328901 /nfs/dbraw/zinc/32/89/01/416328901.db2.gz CKKOIKLELXUKRV-UHFFFAOYSA-N 1 0 301.306 0.826 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419757840 416408699 /nfs/dbraw/zinc/40/86/99/416408699.db2.gz IZWNDCMPHJGILA-SNVBAGLBSA-N 1 0 322.365 0.491 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000419766265 416409795 /nfs/dbraw/zinc/40/97/95/416409795.db2.gz YHXALVDWLVHYTF-GFCCVEGCSA-N 1 0 322.365 0.619 20 5 DCBDRO CN1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000583430402 416462660 /nfs/dbraw/zinc/46/26/60/416462660.db2.gz RMUQVLGZAQCKLX-CYBMUJFWSA-N 1 0 321.381 0.422 20 5 DCBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000458555544 416481113 /nfs/dbraw/zinc/48/11/13/416481113.db2.gz JCQIWAVXEWFTQT-GFCCVEGCSA-N 1 0 324.385 0.915 20 5 DCBDRO CNc1nccc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000582190033 416448163 /nfs/dbraw/zinc/44/81/63/416448163.db2.gz IFWGGBBQAQNSLP-SNVBAGLBSA-N 1 0 319.365 1.246 20 5 DCBDRO CNc1nccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000582429034 416454464 /nfs/dbraw/zinc/45/44/64/416454464.db2.gz HXNBWTDZFUPVMU-LLVKDONJSA-N 1 0 321.381 1.492 20 5 DCBDRO Cn1ccnc1[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068895 416536869 /nfs/dbraw/zinc/53/68/69/416536869.db2.gz PZSHCYJOAORYQQ-WCQYABFASA-N 1 0 320.353 0.375 20 5 DCBDRO CNc1nccc(C(=O)NCC[N@H+]2CC=CCC2)c1[N+](=O)[O-] ZINC000594351514 416560412 /nfs/dbraw/zinc/56/04/12/416560412.db2.gz JMQMJKSLXSKAFB-UHFFFAOYSA-N 1 0 305.338 1.023 20 5 DCBDRO CN1CCNC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423502706 416516728 /nfs/dbraw/zinc/51/67/28/416516728.db2.gz FGVQDTPVOCYKER-MGPQQGTHSA-N 1 0 322.413 0.768 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423995872 416602044 /nfs/dbraw/zinc/60/20/44/416602044.db2.gz JXPOAYQGDUOTHN-AWEZNQCLSA-N 1 0 315.333 0.964 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000423997242 416602164 /nfs/dbraw/zinc/60/21/64/416602164.db2.gz XYVFQTOARHPIBG-SECBINFHSA-N 1 0 305.294 0.189 20 5 DCBDRO Cc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000541053166 416603160 /nfs/dbraw/zinc/60/31/60/416603160.db2.gz GGOYDMXLRMHGJU-HIFRSBDPSA-N 1 0 320.349 0.784 20 5 DCBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000424075418 416608555 /nfs/dbraw/zinc/60/85/55/416608555.db2.gz MBUSPEWCQXVJEL-NSHDSACASA-N 1 0 301.306 0.708 20 5 DCBDRO C[C@@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC000423894109 416584691 /nfs/dbraw/zinc/58/46/91/416584691.db2.gz DLSSOPPUKWYXJR-RYUDHWBXSA-N 1 0 309.370 0.933 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000548092004 416685055 /nfs/dbraw/zinc/68/50/55/416685055.db2.gz USXOBNPOJAUOPD-BDAKNGLRSA-N 1 0 305.338 0.927 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000441833338 416681764 /nfs/dbraw/zinc/68/17/64/416681764.db2.gz NOLUZCRBTFEYKR-UHFFFAOYSA-N 1 0 324.337 0.228 20 5 DCBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)Cn1ccnn1 ZINC000514951492 416685016 /nfs/dbraw/zinc/68/50/16/416685016.db2.gz LOUJCLWSGCAFRW-GWCFXTLKSA-N 1 0 303.322 0.824 20 5 DCBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000517082573 416780051 /nfs/dbraw/zinc/78/00/51/416780051.db2.gz ZOUJCEHIYDIEOZ-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1CCC[NH2+]1 ZINC000429106613 287335143 /nfs/dbraw/zinc/33/51/43/287335143.db2.gz YZBAZAQXBVZYNL-LLVKDONJSA-N 1 0 321.333 0.777 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429333008 416964113 /nfs/dbraw/zinc/96/41/13/416964113.db2.gz MVPQREBBQFAQAW-VIFPVBQESA-N 1 0 309.322 0.714 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(C)(C)[NH3+] ZINC000429658576 287339940 /nfs/dbraw/zinc/33/99/40/287339940.db2.gz OXWFUACZODCFML-SECBINFHSA-N 1 0 312.374 0.681 20 5 DCBDRO O=C(CN1CCC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000430625683 287348017 /nfs/dbraw/zinc/34/80/17/287348017.db2.gz KXIOCXHYGRLWRH-UHFFFAOYSA-N 1 0 304.350 0.779 20 5 DCBDRO [NH3+][C@@H]1CCN(CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000430629780 287348589 /nfs/dbraw/zinc/34/85/89/287348589.db2.gz QMSRZTJGGBYNRV-SNVBAGLBSA-N 1 0 306.322 0.926 20 5 DCBDRO O=C1NCCC[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000568483119 417141809 /nfs/dbraw/zinc/14/18/09/417141809.db2.gz GFQOPYSBYYCTPE-GFCCVEGCSA-N 1 0 319.365 0.638 20 5 DCBDRO O=c1c2ccccc2n(CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000568506893 417144274 /nfs/dbraw/zinc/14/42/74/417144274.db2.gz DNMHFRGFOXMGIM-UHFFFAOYSA-N 1 0 302.334 0.815 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000449594574 417154554 /nfs/dbraw/zinc/15/45/54/417154554.db2.gz REQSEZWBYMCRFL-GUBZILKMSA-N 1 0 308.338 0.565 20 5 DCBDRO CCc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000449697726 417167332 /nfs/dbraw/zinc/16/73/32/417167332.db2.gz MLQCUFWBJRGIGY-ZDUSSCGKSA-N 1 0 306.366 0.791 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000449703253 417167583 /nfs/dbraw/zinc/16/75/83/417167583.db2.gz UCTIIFKJGINFRD-LBPRGKRZSA-N 1 0 322.365 0.384 20 5 DCBDRO Cc1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414668651 417292829 /nfs/dbraw/zinc/29/28/29/417292829.db2.gz YXULNQHXIYEIJG-UHFFFAOYSA-N 1 0 307.354 0.930 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000413431068 417234527 /nfs/dbraw/zinc/23/45/27/417234527.db2.gz ALCWNVLKPSKUDA-JTQLQIEISA-N 1 0 307.354 1.233 20 5 DCBDRO C[N@@H+]1CCC[C@H](CCNc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000413431073 417234826 /nfs/dbraw/zinc/23/48/26/417234826.db2.gz ALCWNVLKPSKUDA-SNVBAGLBSA-N 1 0 307.354 1.233 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000415295198 417358757 /nfs/dbraw/zinc/35/87/57/417358757.db2.gz QBFQQNUBMVPTPF-SSDOTTSWSA-N 1 0 312.713 0.746 20 5 DCBDRO [NH3+]CCN(CCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414905029 417315173 /nfs/dbraw/zinc/31/51/73/417315173.db2.gz AKZSIMAZCXENAX-UHFFFAOYSA-N 1 0 305.281 0.949 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415340871 417367944 /nfs/dbraw/zinc/36/79/44/417367944.db2.gz FZDDTOQTQGDUAR-QMMMGPOBSA-N 1 0 310.285 0.493 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000451628096 417369738 /nfs/dbraw/zinc/36/97/38/417369738.db2.gz OZZPKZRCBQZPMD-XPKDYRNWSA-N 1 0 321.377 0.970 20 5 DCBDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415353724 417371543 /nfs/dbraw/zinc/37/15/43/417371543.db2.gz CXCHRTKFNSZTKM-NSHDSACASA-N 1 0 306.322 0.744 20 5 DCBDRO CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000576038060 417574381 /nfs/dbraw/zinc/57/43/81/417574381.db2.gz URLWRPIRXIMTPL-LLVKDONJSA-N 1 0 308.338 0.075 20 5 DCBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C[NH3+])C1 ZINC000576702202 417629845 /nfs/dbraw/zinc/62/98/45/417629845.db2.gz OLLXQNZGLWFHAJ-JTQLQIEISA-N 1 0 312.757 0.963 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[NH+]1CCCCC1 ZINC000299493065 229151817 /nfs/dbraw/zinc/15/18/17/229151817.db2.gz IVGZDJIFRMEMBN-UHFFFAOYSA-N 1 0 308.338 0.359 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000237133217 261157861 /nfs/dbraw/zinc/15/78/61/261157861.db2.gz BLHRNQCURCHCAQ-WDEREUQCSA-N 1 0 322.365 0.685 20 5 DCBDRO CN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000316576519 261175212 /nfs/dbraw/zinc/17/52/12/261175212.db2.gz LUBCKXFWZBOAED-BTKRWWFXSA-N 1 0 304.350 0.709 20 5 DCBDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc([N+](=O)[O-])c1 ZINC000354674043 261255989 /nfs/dbraw/zinc/25/59/89/261255989.db2.gz LTWHIVSQNPNEDA-LBPRGKRZSA-N 1 0 306.322 0.792 20 5 DCBDRO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cc([N+](=O)[O-])nn3C)[C@H]2C1 ZINC000355317039 261329854 /nfs/dbraw/zinc/32/98/54/261329854.db2.gz KFTXCWBLBXEFOP-RYUDHWBXSA-N 1 0 323.353 0.264 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC([N@H+](C)CCCO)CC1 ZINC000355331377 261332297 /nfs/dbraw/zinc/33/22/97/261332297.db2.gz DQVDVXDCLPGFJJ-UHFFFAOYSA-N 1 0 311.386 0.607 20 5 DCBDRO O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000362686166 262060668 /nfs/dbraw/zinc/06/06/68/262060668.db2.gz UMWHDUDYCSQVLQ-OAHLLOKOSA-N 1 0 318.377 0.991 20 5 DCBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000390105316 262160329 /nfs/dbraw/zinc/16/03/29/262160329.db2.gz ZUKWRIYIXCUETQ-LLVKDONJSA-N 1 0 309.322 0.712 20 5 DCBDRO CNc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000390003525 262160425 /nfs/dbraw/zinc/16/04/25/262160425.db2.gz KUIOCMJNYYVZNA-GFCCVEGCSA-N 1 0 321.381 0.612 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000394075570 262161976 /nfs/dbraw/zinc/16/19/76/262161976.db2.gz ODAIMYQECRHCBY-GBXSZLQWSA-N 1 0 304.350 0.628 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418772793 262288538 /nfs/dbraw/zinc/28/85/38/262288538.db2.gz BPBIXDPAZWVQMY-QWRGUYRKSA-N 1 0 322.365 0.744 20 5 DCBDRO [NH3+]C1(CNC(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000418862422 262293862 /nfs/dbraw/zinc/29/38/62/262293862.db2.gz GACZXRXHKNKKQP-UHFFFAOYSA-N 1 0 320.349 0.251 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000418920079 262298153 /nfs/dbraw/zinc/29/81/53/262298153.db2.gz HCMFTOOMIMTBPQ-MFKMUULPSA-N 1 0 320.349 0.059 20 5 DCBDRO C[NH+](C)C1(CNc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC000419001318 262302753 /nfs/dbraw/zinc/30/27/53/262302753.db2.gz AMWMLXPPROZEHK-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419158403 262314599 /nfs/dbraw/zinc/31/45/99/262314599.db2.gz XOCVZSJXICMCIH-NXEZZACHSA-N 1 0 306.322 0.332 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000420157349 262364689 /nfs/dbraw/zinc/36/46/89/262364689.db2.gz AVVYPOCUDCTFIE-LLVKDONJSA-N 1 0 322.365 0.667 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000420256848 262367577 /nfs/dbraw/zinc/36/75/77/262367577.db2.gz JOSSAGOOPIQHEB-ONGXEEELSA-N 1 0 306.322 0.822 20 5 DCBDRO COC[C@@]1(CNC(=O)COc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000357260007 271047204 /nfs/dbraw/zinc/04/72/04/271047204.db2.gz QVVDHZMIEMJJCP-HNNXBMFYSA-N 1 0 323.349 0.858 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000363693383 271199222 /nfs/dbraw/zinc/19/92/22/271199222.db2.gz POKTYFCOQQWNGU-NSHDSACASA-N 1 0 307.354 0.947 20 5 DCBDRO COc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000415433640 271238831 /nfs/dbraw/zinc/23/88/31/271238831.db2.gz HANZHSPVEPEELF-JTQLQIEISA-N 1 0 324.337 0.641 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420439734 271369189 /nfs/dbraw/zinc/36/91/89/271369189.db2.gz MRMJUTCVUIAPHZ-UWVGGRQHSA-N 1 0 301.368 0.792 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000420440694 271369290 /nfs/dbraw/zinc/36/92/90/271369290.db2.gz NMUHJTQAZBLUQK-JGVFFNPUSA-N 1 0 303.340 0.617 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000420445991 271371672 /nfs/dbraw/zinc/37/16/72/271371672.db2.gz NQTQZDMMVSTCGS-SNVBAGLBSA-N 1 0 321.305 0.870 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420445790 271371862 /nfs/dbraw/zinc/37/18/62/271371862.db2.gz SQUQLBTXWQDDNW-NXEZZACHSA-N 1 0 301.368 0.792 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000422735260 271382455 /nfs/dbraw/zinc/38/24/55/271382455.db2.gz DTFDNFKJPCKGEA-UHFFFAOYSA-N 1 0 306.366 0.847 20 5 DCBDRO CNC(=O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000434677402 271539005 /nfs/dbraw/zinc/53/90/05/271539005.db2.gz XVRPTTBWHUDIPX-UHFFFAOYSA-N 1 0 324.337 0.610 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491799796 272105631 /nfs/dbraw/zinc/10/56/31/272105631.db2.gz WMXSVSDAJHMCGQ-DANTVBBOSA-N 1 0 318.377 0.970 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000517456973 272468402 /nfs/dbraw/zinc/46/84/02/272468402.db2.gz FFNCFUCYKKRDDX-NSHDSACASA-N 1 0 308.338 0.215 20 5 DCBDRO [NH3+]C[C@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000518516954 272485993 /nfs/dbraw/zinc/48/59/93/272485993.db2.gz SMNSUPLLCCQZOD-NSHDSACASA-N 1 0 307.306 0.833 20 5 DCBDRO CC[NH+](CC)CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000078440743 276321983 /nfs/dbraw/zinc/32/19/83/276321983.db2.gz IPNYSACJZTVNQR-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000548369800 288136590 /nfs/dbraw/zinc/13/65/90/288136590.db2.gz VZXATMMQJVHDAX-UHFFFAOYSA-N 1 0 302.356 0.608 20 5 DCBDRO C[N@H+](CCCO)C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548417056 288140947 /nfs/dbraw/zinc/14/09/47/288140947.db2.gz NYYXCVXSGNYJKM-UHFFFAOYSA-N 1 0 311.342 0.237 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000565769680 288876417 /nfs/dbraw/zinc/87/64/17/288876417.db2.gz OXHDOJNNFYNHQV-CYBMUJFWSA-N 1 0 306.322 0.951 20 5 DCBDRO [NH3+][C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000122742724 303470262 /nfs/dbraw/zinc/47/02/62/303470262.db2.gz QOOOGAWPITYFIV-MRVPVSSYSA-N 1 0 305.743 0.970 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000582121924 333301366 /nfs/dbraw/zinc/30/13/66/333301366.db2.gz POGUOUKUEXDJBJ-DTWKUNHWSA-N 1 0 300.340 0.348 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000580368955 336260912 /nfs/dbraw/zinc/26/09/12/336260912.db2.gz PBGSMWHRXCMHRW-HNNXBMFYSA-N 1 0 320.349 0.364 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000302137029 534426134 /nfs/dbraw/zinc/42/61/34/534426134.db2.gz BRFGOZOIENPFLY-SNVBAGLBSA-N 1 0 308.342 0.384 20 5 DCBDRO C[NH2+]CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000120950533 521998075 /nfs/dbraw/zinc/99/80/75/521998075.db2.gz HBBDVMZCTDFWLS-UHFFFAOYSA-N 1 0 304.310 0.515 20 5 DCBDRO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000237941027 534634750 /nfs/dbraw/zinc/63/47/50/534634750.db2.gz FGKNHUGBVKDVLD-LBPRGKRZSA-N 1 0 320.349 0.522 20 5 DCBDRO Cc1c(C(=O)N2CC[C@@H]([NH3+])C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237764117 525590140 /nfs/dbraw/zinc/59/01/40/525590140.db2.gz LJGCELLCRXIXHM-SNVBAGLBSA-N 1 0 316.321 0.657 20 5 DCBDRO [NH3+]C[C@H](NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000237905375 527227632 /nfs/dbraw/zinc/22/76/32/527227632.db2.gz RPPMBQJWLRVZTL-ZDUSSCGKSA-N 1 0 316.317 0.903 20 5 DCBDRO CC(C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000299493203 529034771 /nfs/dbraw/zinc/03/47/71/529034771.db2.gz IZTVLFUATGJBTI-UHFFFAOYSA-N 1 0 308.338 0.309 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820242907 606702721 /nfs/dbraw/zinc/70/27/21/606702721.db2.gz QTLHRJTWWNUSNQ-MRVPVSSYSA-N 1 0 306.330 0.922 20 5 DCBDRO O=C(NCC1C[NH2+]C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000262055912 658288743 /nfs/dbraw/zinc/28/87/43/658288743.db2.gz XKBYQAUMYHTMLF-UHFFFAOYSA-N 1 0 301.306 0.730 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000725895550 659260579 /nfs/dbraw/zinc/26/05/79/659260579.db2.gz HACDOXUYLVYAGB-UWVGGRQHSA-N 1 0 309.326 0.219 20 5 DCBDRO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)n1cc([N+](=O)[O-])cn1 ZINC000236701851 659543884 /nfs/dbraw/zinc/54/38/84/659543884.db2.gz GHUSBGSYVYTNOV-ZACCUICWSA-N 1 0 307.354 0.926 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ncccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983648875 661997108 /nfs/dbraw/zinc/99/71/08/661997108.db2.gz KTVTWDLTFPSDDF-DDHJBXDOSA-N 1 0 305.338 0.126 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896577844 662294934 /nfs/dbraw/zinc/29/49/34/662294934.db2.gz SMCPEMZJWRJCFS-FZMZJTMJSA-N 1 0 321.381 0.662 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000262483833 662409841 /nfs/dbraw/zinc/40/98/41/662409841.db2.gz SCVWSHDRLQVUII-SNVBAGLBSA-N 1 0 318.337 0.903 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000899726492 663182434 /nfs/dbraw/zinc/18/24/34/663182434.db2.gz ODXDXDZTYIMWTH-UHFFFAOYSA-N 1 0 301.730 0.902 20 5 DCBDRO CSc1ccc(C(=O)NCC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC000899726540 663182486 /nfs/dbraw/zinc/18/24/86/663182486.db2.gz PGHOYJHYKZMKCB-UHFFFAOYSA-N 1 0 313.379 0.971 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903832030 663488280 /nfs/dbraw/zinc/48/82/80/663488280.db2.gz ZACSNISLRAQPKK-LBPRGKRZSA-N 1 0 322.365 0.844 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917807 664245347 /nfs/dbraw/zinc/24/53/47/664245347.db2.gz OAHRFFJWLZLCTE-NSHDSACASA-N 1 0 306.322 0.063 20 5 DCBDRO CCn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001031663054 665274391 /nfs/dbraw/zinc/27/43/91/665274391.db2.gz PXFLUQQQVXKCNT-ZIAGYGMSSA-N 1 0 321.381 0.159 20 5 DCBDRO CCS(=O)(=O)CC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000233820739 665329197 /nfs/dbraw/zinc/32/91/97/665329197.db2.gz UANDYUWOSDRXJE-UHFFFAOYSA-N 1 0 302.352 0.998 20 5 DCBDRO Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996429201 666790980 /nfs/dbraw/zinc/79/09/80/666790980.db2.gz LUKJQJPRYMEOJQ-CHWSQXEVSA-N 1 0 319.365 0.531 20 5 DCBDRO CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000861349319 666920617 /nfs/dbraw/zinc/92/06/17/666920617.db2.gz RXELYKCYTNANGA-ZANVPECISA-N 1 0 312.326 0.594 20 5 DCBDRO NC(=O)C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000996952869 667042520 /nfs/dbraw/zinc/04/25/20/667042520.db2.gz QDXPHNOMCMXOIW-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO CCOC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000863574949 667159168 /nfs/dbraw/zinc/15/91/68/667159168.db2.gz DKBJOIHYKNJZBV-DGCLKSJQSA-N 1 0 324.337 0.394 20 5 DCBDRO Cc1ccc(C(=O)NC2CCN(CC(N)=O)CC2)cc1[N+](=O)[O-] ZINC000196447003 667326913 /nfs/dbraw/zinc/32/69/13/667326913.db2.gz LWHINAFPLHVSCZ-UHFFFAOYSA-N 1 0 320.349 0.583 20 5 DCBDRO [NH3+]C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@@H]1C(F)(F)F ZINC000872152171 667869302 /nfs/dbraw/zinc/86/93/02/667869302.db2.gz ZZYROOPDXHONMK-IUCAKERBSA-N 1 0 307.276 0.860 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747232256 667898082 /nfs/dbraw/zinc/89/80/82/667898082.db2.gz VLICREXRJNZNHZ-PWSUYJOCSA-N 1 0 308.338 0.526 20 5 DCBDRO C[NH+]1CCC2(CCN2C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000747979248 667915618 /nfs/dbraw/zinc/91/56/18/667915618.db2.gz XFPYVPSCRNVCFC-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889779258 667996538 /nfs/dbraw/zinc/99/65/38/667996538.db2.gz DJCGPFMQECHKSA-QWHCGFSZSA-N 1 0 322.365 0.605 20 5 DCBDRO O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707346 668135684 /nfs/dbraw/zinc/13/56/84/668135684.db2.gz SYFMGFQGHJJVEM-RQJABVFESA-N 1 0 311.382 0.536 20 5 DCBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC000758317569 668166646 /nfs/dbraw/zinc/16/66/46/668166646.db2.gz MHQJVZKHOUGNRG-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874843078 668226205 /nfs/dbraw/zinc/22/62/05/668226205.db2.gz LOXJSOWMYJTXKB-RYUDHWBXSA-N 1 0 307.354 0.795 20 5 DCBDRO C[C@@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763336913 668405617 /nfs/dbraw/zinc/40/56/17/668405617.db2.gz NZOPVRFLBJFQJD-UKRRQHHQSA-N 1 0 322.413 0.707 20 5 DCBDRO C[NH+](C)C[C@H](N)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000876940551 668539425 /nfs/dbraw/zinc/53/94/25/668539425.db2.gz VLEIWVJDIGDQNT-AWEZNQCLSA-N 1 0 306.366 0.975 20 5 DCBDRO O=C1C[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CN1C1CC1 ZINC000877159610 668569746 /nfs/dbraw/zinc/56/97/46/668569746.db2.gz ZWIIPKJMXOJGAP-SQLBVSGCSA-N 1 0 305.338 0.848 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877279139 668590139 /nfs/dbraw/zinc/59/01/39/668590139.db2.gz BPNLPOHFNMAJLS-RYUDHWBXSA-N 1 0 307.354 0.843 20 5 DCBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126548859 668622795 /nfs/dbraw/zinc/62/27/95/668622795.db2.gz GIFHMRHOBAVFCT-UHFFFAOYSA-N 1 0 305.331 0.964 20 5 DCBDRO CS(=O)(=O)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774155790 668824524 /nfs/dbraw/zinc/82/45/24/668824524.db2.gz DDLQAYMDSXOKBT-WDEREUQCSA-N 1 0 316.383 0.909 20 5 DCBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C1(O)CCOCC1 ZINC000930355569 669000341 /nfs/dbraw/zinc/00/03/41/669000341.db2.gz ZONRXMBUGRCHTD-OAHLLOKOSA-N 1 0 324.377 0.972 20 5 DCBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000930681476 669058956 /nfs/dbraw/zinc/05/89/56/669058956.db2.gz VVQSAMIBFUDCCY-UHFFFAOYSA-N 1 0 322.365 0.653 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931278964 669172500 /nfs/dbraw/zinc/17/25/00/669172500.db2.gz SSMWATHQGVSKEK-FOCJUVANSA-N 1 0 321.377 0.826 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000931278963 669172522 /nfs/dbraw/zinc/17/25/22/669172522.db2.gz SSMWATHQGVSKEK-BCUIYNNISA-N 1 0 321.377 0.826 20 5 DCBDRO C[NH+]1C[C@]2(C)CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000931309638 669176700 /nfs/dbraw/zinc/17/67/00/669176700.db2.gz FFJORIVZQXHPPC-RRFJBIMHSA-N 1 0 323.397 0.426 20 5 DCBDRO C[C@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000783910200 669180027 /nfs/dbraw/zinc/18/00/27/669180027.db2.gz DBBYKPQLJOVILM-QWHCGFSZSA-N 1 0 309.366 0.970 20 5 DCBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000931400483 669190840 /nfs/dbraw/zinc/19/08/40/669190840.db2.gz ZRATUOLKZDWOGJ-GFCCVEGCSA-N 1 0 322.365 0.532 20 5 DCBDRO O=[N+]([O-])c1ccn(C2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000785870534 669279941 /nfs/dbraw/zinc/27/99/41/669279941.db2.gz RKTFKEQVZWABCY-AWEZNQCLSA-N 1 0 323.397 0.885 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788205184 669421988 /nfs/dbraw/zinc/42/19/88/669421988.db2.gz MVYBKTIGHSUTAG-OAHLLOKOSA-N 1 0 322.365 0.706 20 5 DCBDRO C[C@]12CSC[C@H]1C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000934776691 669639064 /nfs/dbraw/zinc/63/90/64/669639064.db2.gz HVKRYZQALRFGTN-WXHSDQCUSA-N 1 0 312.395 0.837 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)OCCC[NH+]1CCCC1 ZINC000800156042 669830248 /nfs/dbraw/zinc/83/02/48/669830248.db2.gz GEDABSWVYQFAMU-UHFFFAOYSA-N 1 0 309.322 0.786 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000847044885 670513119 /nfs/dbraw/zinc/51/31/19/670513119.db2.gz PAPQLOKKDUQYSB-RRFJBIMHSA-N 1 0 307.350 0.379 20 5 DCBDRO NC(=O)c1ccnc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000811782105 670548469 /nfs/dbraw/zinc/54/84/69/670548469.db2.gz GMROMKFQUVJJIQ-NXEZZACHSA-N 1 0 321.337 0.364 20 5 DCBDRO CN(CCC[NH+](C)C)CCNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000855416718 670711004 /nfs/dbraw/zinc/71/10/04/670711004.db2.gz QJCNRXWMEWXALF-UHFFFAOYSA-N 1 0 323.397 0.790 20 5 DCBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000855698297 670748012 /nfs/dbraw/zinc/74/80/12/670748012.db2.gz PGSKASNHGNEHKE-UHFFFAOYSA-N 1 0 316.402 0.300 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000857113831 670885845 /nfs/dbraw/zinc/88/58/45/670885845.db2.gz JHLPLPYKMXCSKY-NSHDSACASA-N 1 0 322.369 0.559 20 5 DCBDRO CC[S@](=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819048477 671089325 /nfs/dbraw/zinc/08/93/25/671089325.db2.gz ZNBJGXKDPQHCDQ-QKVFXAPYSA-N 1 0 316.379 0.693 20 5 DCBDRO CC(C)(C)[S@](=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819057363 671090438 /nfs/dbraw/zinc/09/04/38/671090438.db2.gz VLXPWENFBJBGSM-WSVYEEACSA-N 1 0 318.399 0.289 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000828512604 671554774 /nfs/dbraw/zinc/55/47/74/671554774.db2.gz WOELPRWHNSCBPW-VXGBXAGGSA-N 1 0 307.354 0.652 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000829551636 671579444 /nfs/dbraw/zinc/57/94/44/671579444.db2.gz MVBMUIRUSJXNLZ-CYBMUJFWSA-N 1 0 311.338 0.059 20 5 DCBDRO C[N@@H+]1CCN(CCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1(C)C ZINC000831243849 671660729 /nfs/dbraw/zinc/66/07/29/671660729.db2.gz YGODSENLBONGNE-UHFFFAOYSA-N 1 0 314.430 0.964 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000834322072 671754682 /nfs/dbraw/zinc/75/46/82/671754682.db2.gz OREOXXFNXOQOKI-QPUJVOFHSA-N 1 0 324.293 0.691 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841183576 671918230 /nfs/dbraw/zinc/91/82/30/671918230.db2.gz OUHRGCVLTXBIQN-JTQLQIEISA-N 1 0 324.312 0.834 20 5 DCBDRO Nc1nc(N2CCC[C@@H](OC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc[nH+]1 ZINC000842347637 672006948 /nfs/dbraw/zinc/00/69/48/672006948.db2.gz RGMFIPGWRRVIPE-OPRDCNLKSA-N 1 0 307.310 0.236 20 5 DCBDRO [NH3+]CC[C@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842859746 672043116 /nfs/dbraw/zinc/04/31/16/672043116.db2.gz MZDOWZKJLZCOHT-SNVBAGLBSA-N 1 0 314.367 0.882 20 5 DCBDRO Cn1cc(C[C@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000843117454 672063799 /nfs/dbraw/zinc/06/37/99/672063799.db2.gz XYHWXYKORYBSCP-HIFRSBDPSA-N 1 0 320.349 0.555 20 5 DCBDRO C[NH+](C)CCN1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1=O ZINC000845631089 672268108 /nfs/dbraw/zinc/26/81/08/672268108.db2.gz XFMGVQMXFMEHQM-UHFFFAOYSA-N 1 0 307.354 0.387 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c2nonc21 ZINC000845724668 672271454 /nfs/dbraw/zinc/27/14/54/672271454.db2.gz YUVNBLFGROZHTI-SECBINFHSA-N 1 0 305.294 0.386 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2cccc(F)c2[N+](=O)[O-])C1 ZINC000867418018 672309449 /nfs/dbraw/zinc/30/94/49/672309449.db2.gz PRCHKUJGIWOBPC-AWEZNQCLSA-N 1 0 311.313 0.459 20 5 DCBDRO CCCn1ncnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138862 693709883 /nfs/dbraw/zinc/70/98/83/693709883.db2.gz FIRTVQKRASLVBX-DDHJBXDOSA-N 1 0 322.369 0.090 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cscn1 ZINC001691276564 1157626791 /nfs/dbraw/zinc/62/67/91/1157626791.db2.gz WGRXZQLCJOJLRJ-UHFFFAOYSA-N 1 0 324.366 0.647 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)Cc1ccc[nH]1 ZINC001691611196 1158355601 /nfs/dbraw/zinc/35/56/01/1158355601.db2.gz MIFXQPQDGGNIBD-UHFFFAOYSA-N 1 0 320.353 0.447 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC001543079643 1159816922 /nfs/dbraw/zinc/81/69/22/1159816922.db2.gz PDSBJKSUNWGNOH-LLVKDONJSA-N 1 0 324.385 0.177 20 5 DCBDRO CN(CCNCc1noc2c1CCCC2)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001567493730 1160392920 /nfs/dbraw/zinc/39/29/20/1160392920.db2.gz FSUSLNAFFYMRJJ-DGCLKSJQSA-N 1 0 322.365 0.767 20 5 DCBDRO C[C@]1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)C[C@H](O)C[NH2+]1 ZINC001576330463 1164302500 /nfs/dbraw/zinc/30/25/00/1164302500.db2.gz PFPUQIZDWVPDNX-XHDPSFHLSA-N 1 0 321.333 0.297 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2C[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001578746769 1165095222 /nfs/dbraw/zinc/09/52/22/1165095222.db2.gz SLXVNOXWBJXKCG-DTWKUNHWSA-N 1 0 314.367 0.429 20 5 DCBDRO Cc1cc(OS(=O)(=O)C[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001579639839 1165368344 /nfs/dbraw/zinc/36/83/44/1165368344.db2.gz VEWDZSTZSXTISH-LLVKDONJSA-N 1 0 316.335 0.600 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NC[C@H]2C[NH2+]CCO2)c1F ZINC001579642625 1165369765 /nfs/dbraw/zinc/36/97/65/1165369765.db2.gz NANHXNWYPFAXAN-MRVPVSSYSA-N 1 0 315.276 0.900 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N2CC[NH2+]C[C@@H]2CO)c1 ZINC001579734757 1165383554 /nfs/dbraw/zinc/38/35/54/1165383554.db2.gz ZRECBAGNCJZMNQ-GFCCVEGCSA-N 1 0 323.349 0.465 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1([NH3+])CCOCC1 ZINC001579868718 1165416184 /nfs/dbraw/zinc/41/61/84/1165416184.db2.gz JMXPDWTVAZBJAM-UHFFFAOYSA-N 1 0 311.342 0.114 20 5 DCBDRO [NH3+]C[C@H]1Cc2ccccc2N(C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC001580273705 1165553355 /nfs/dbraw/zinc/55/33/55/1165553355.db2.gz WEFVDYCHYMCOMR-SNVBAGLBSA-N 1 0 316.321 0.351 20 5 DCBDRO [NH3+]CCN(CC(F)(F)F)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580305745 1165564647 /nfs/dbraw/zinc/56/46/47/1165564647.db2.gz KNVROSCMKUKBLS-JTQLQIEISA-N 1 0 321.255 0.978 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580562606 1165640517 /nfs/dbraw/zinc/64/05/17/1165640517.db2.gz ZDOSDWDZRATSQY-CYBMUJFWSA-N 1 0 321.333 0.611 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001580578842 1165643110 /nfs/dbraw/zinc/64/31/10/1165643110.db2.gz NVIJMSGKZHXPLX-CYBMUJFWSA-N 1 0 315.333 0.622 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC3(C2)CC[NH2+]CC3)c1 ZINC001580875810 1165748435 /nfs/dbraw/zinc/74/84/35/1165748435.db2.gz RTNWBEXBQZOJDH-UHFFFAOYSA-N 1 0 311.363 0.969 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC001582803441 1166086862 /nfs/dbraw/zinc/08/68/62/1166086862.db2.gz HQNCVNJVUYIHCN-SMDDNHRTSA-N 1 0 316.321 0.732 20 5 DCBDRO O=[N+]([O-])CC[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001593467385 1167856529 /nfs/dbraw/zinc/85/65/29/1167856529.db2.gz XNJNZKNEQXOMSS-UHFFFAOYSA-N 1 0 318.341 0.097 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NC[C@@H]1CSCC[NH2+]1 ZINC001593472351 1167864788 /nfs/dbraw/zinc/86/47/88/1167864788.db2.gz ZTKDNSDABJEESH-MRVPVSSYSA-N 1 0 322.354 0.287 20 5 DCBDRO CC1(C)CN(c2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[NH2+]1 ZINC001603786957 1169390709 /nfs/dbraw/zinc/39/07/09/1169390709.db2.gz FKCJQEHMKFOUTL-UHFFFAOYSA-N 1 0 303.326 0.963 20 5 DCBDRO O=[N+]([O-])CC[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC001607076747 1170381351 /nfs/dbraw/zinc/38/13/51/1170381351.db2.gz VCSIFEGIDAQRLE-UHFFFAOYSA-N 1 0 318.337 0.739 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC001607079024 1170381697 /nfs/dbraw/zinc/38/16/97/1170381697.db2.gz FIAWBCCZDFJVRH-SNVBAGLBSA-N 1 0 319.325 0.253 20 5 DCBDRO C[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[C@H]1O ZINC001609172882 1170840496 /nfs/dbraw/zinc/84/04/96/1170840496.db2.gz BCERFRYXTVVLJI-NOZJJQNGSA-N 1 0 318.337 0.978 20 5 DCBDRO C[C@@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC001633829583 1171654581 /nfs/dbraw/zinc/65/45/81/1171654581.db2.gz MXFOJNRFAWXLSH-LLVKDONJSA-N 1 0 320.349 0.523 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001644123641 1171996772 /nfs/dbraw/zinc/99/67/72/1171996772.db2.gz KMFKZFQHDSWAFN-ZFWWWQNUSA-N 1 0 323.349 0.153 20 5 DCBDRO CNc1c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001645426485 1172041550 /nfs/dbraw/zinc/04/15/50/1172041550.db2.gz RTFGGMBIKYGEIB-SNVBAGLBSA-N 1 0 320.349 0.839 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001645434755 1172043682 /nfs/dbraw/zinc/04/36/82/1172043682.db2.gz HRMRANRRPCOXTG-MNOVXSKESA-N 1 0 309.326 0.530 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC([NH2+]C2CCOCC2)C1 ZINC001649380531 1173133414 /nfs/dbraw/zinc/13/34/14/1173133414.db2.gz KEGDKCKLTZTHLR-UHFFFAOYSA-N 1 0 306.322 0.583 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(NCC(=O)NCC[NH+]2CCCCCC2)n1 ZINC001651108227 1173739805 /nfs/dbraw/zinc/73/98/05/1173739805.db2.gz AURIENXIIVVVLI-UHFFFAOYSA-N 1 0 324.385 0.732 20 5 DCBDRO CC(C)(O)C[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001653493970 1173788155 /nfs/dbraw/zinc/78/81/55/1173788155.db2.gz HXBZLFAHNHVECW-GFCCVEGCSA-N 1 0 312.370 0.950 20 5 DCBDRO Cn1nnnc1CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001654503595 1173806367 /nfs/dbraw/zinc/80/63/67/1173806367.db2.gz NREDMGOEPGBUKF-CYBMUJFWSA-N 1 0 306.326 0.158 20 5 DCBDRO Nc1cc[nH+]c2c1CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001654564339 1173806709 /nfs/dbraw/zinc/80/67/09/1173806709.db2.gz CYAYXGHWHAVKOK-NSHDSACASA-N 1 0 318.337 0.188 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC001654517600 1173806974 /nfs/dbraw/zinc/80/69/74/1173806974.db2.gz LEQZEKKWFAMXED-BARDWOONSA-N 1 0 324.381 0.778 20 5 DCBDRO COC[C@](C)(CO)[NH2+]CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC001655310105 1173818292 /nfs/dbraw/zinc/81/82/92/1173818292.db2.gz WQWCAPSUJZVLRH-AWEZNQCLSA-N 1 0 311.338 0.829 20 5 DCBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001656540355 1173867546 /nfs/dbraw/zinc/86/75/46/1173867546.db2.gz IMRVCUDHIPZQMG-QWHCGFSZSA-N 1 0 310.350 0.896 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCCS3(=O)=O)C2)c1 ZINC001659218833 1173930784 /nfs/dbraw/zinc/93/07/84/1173930784.db2.gz FJWVRORJWMDIHD-CBINBANVSA-N 1 0 314.367 0.662 20 5 DCBDRO CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001673727680 1175229172 /nfs/dbraw/zinc/22/91/72/1175229172.db2.gz KHGYVIAMDJAICV-CHWSQXEVSA-N 1 0 311.382 0.873 20 5 DCBDRO C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC001680737333 1175845514 /nfs/dbraw/zinc/84/55/14/1175845514.db2.gz NVYYWFDOAWEFBH-UHFFFAOYSA-N 1 0 321.337 0.863 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001690330641 1177214548 /nfs/dbraw/zinc/21/45/48/1177214548.db2.gz NEFRXHJHBNSWMM-PHIMTYICSA-N 1 0 306.322 0.207 20 5 DCBDRO Cc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001699507441 1178171622 /nfs/dbraw/zinc/17/16/22/1178171622.db2.gz YUQGMHRFXLHWGF-CHWSQXEVSA-N 1 0 307.354 0.388 20 5 DCBDRO CCC[N@H+](CCNC(=O)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001713549018 1180915431 /nfs/dbraw/zinc/91/54/31/1180915431.db2.gz DEAFYPCEPZYVOM-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ncn(C)n1 ZINC001713588461 1180946281 /nfs/dbraw/zinc/94/62/81/1180946281.db2.gz DDVKPZXRWIMVFE-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn[nH]n1 ZINC001716314704 1182325472 /nfs/dbraw/zinc/32/54/72/1182325472.db2.gz PEVMRBMQORPXHY-OWOJBTEDSA-N 1 0 316.321 0.789 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn[nH]n1 ZINC001732872519 1186029049 /nfs/dbraw/zinc/02/90/49/1186029049.db2.gz FODSNKNYGMDPKN-OWOJBTEDSA-N 1 0 316.321 0.789 20 5 DCBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ncc[nH]1 ZINC001754044034 1188720758 /nfs/dbraw/zinc/72/07/58/1188720758.db2.gz NJRCKXGTFZIATH-UHFFFAOYSA-N 1 0 321.341 0.303 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001164967801 722074797 /nfs/dbraw/zinc/07/47/97/722074797.db2.gz XBNXVCNXASRUIP-BETUJISGSA-N 1 0 319.365 0.871 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCc3nccn3CC2)nc1C1C[NH2+]C1 ZINC001167182532 747011978 /nfs/dbraw/zinc/01/19/78/747011978.db2.gz ZEWVJMXNZBOWLE-UHFFFAOYSA-N 1 0 315.337 0.331 20 5 DCBDRO COC(=O)c1cc(C)nc(NC(=N)NCCCC[NH3+])c1[N+](=O)[O-] ZINC001167880286 748459707 /nfs/dbraw/zinc/45/97/07/748459707.db2.gz GCGVZDFTTPFGSZ-UHFFFAOYSA-N 1 0 324.341 0.760 20 5 DCBDRO CN(CCNc1ncc([N+](=O)[O-])cc1F)C(=O)CC[NH+](C)C ZINC001101926927 749817928 /nfs/dbraw/zinc/81/79/28/749817928.db2.gz GHHYPLPAPFCPHS-UHFFFAOYSA-N 1 0 313.333 0.951 20 5 DCBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2nccc(N)c2[N+](=O)[O-])O1 ZINC001170279430 762599264 /nfs/dbraw/zinc/59/92/64/762599264.db2.gz YQMYSRFOMMBLLU-BREBYQMCSA-N 1 0 311.342 0.709 20 5 DCBDRO CC(=O)N(C)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001154819954 758850223 /nfs/dbraw/zinc/85/02/23/758850223.db2.gz UNEREVBPSKRAGJ-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086082863 759691049 /nfs/dbraw/zinc/69/10/49/759691049.db2.gz GBSXDHKPVFWHLW-XJFOESAGSA-N 1 0 304.350 0.731 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cncs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363280 760100985 /nfs/dbraw/zinc/10/09/85/760100985.db2.gz LROCBIIPOMOAQG-CNVPUSNMSA-N 1 0 310.379 0.793 20 5 DCBDRO CCOC(=O)c1nc(Cl)nc(N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001156228777 760487899 /nfs/dbraw/zinc/48/78/99/760487899.db2.gz NAHQWPUVSHLLRQ-LURJTMIESA-N 1 0 315.717 0.752 20 5 DCBDRO CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)[C@@H]2O1 ZINC001168975489 760536808 /nfs/dbraw/zinc/53/68/08/760536808.db2.gz VYZCVLDBXBAHQC-JQPUBBMISA-N 1 0 300.355 0.675 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCN(c3ncc(O)cn3)CC2)C1 ZINC001169042118 760557225 /nfs/dbraw/zinc/55/72/25/760557225.db2.gz CYJMDWSZOJESSX-RYUDHWBXSA-N 1 0 307.354 0.750 20 5 DCBDRO CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)O1 ZINC001169018955 760559244 /nfs/dbraw/zinc/55/92/44/760559244.db2.gz FRTHXUIETCMLNB-MRTXSQPYSA-N 1 0 311.382 0.752 20 5 DCBDRO Cn1cc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC001123347674 767966636 /nfs/dbraw/zinc/96/66/36/767966636.db2.gz DYBXAKZERUSAKI-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO CN1C[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1=O ZINC001156569764 761202889 /nfs/dbraw/zinc/20/28/89/761202889.db2.gz BJMPATZHVKTHNF-VIFPVBQESA-N 1 0 306.326 0.104 20 5 DCBDRO Cc1nc(N(C)CCNC(=O)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC001100115257 763325077 /nfs/dbraw/zinc/32/50/77/763325077.db2.gz GKPBJGCIXPNRSV-UHFFFAOYSA-N 1 0 321.381 0.946 20 5 DCBDRO CN(CCNC(=O)C[NH+]1CCCC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001100115215 763325369 /nfs/dbraw/zinc/32/53/69/763325369.db2.gz DFFUCRCNRDTRCG-UHFFFAOYSA-N 1 0 323.353 0.344 20 5 DCBDRO [NH3+]CCOCCOCCNc1ncnc(Cl)c1[N+](=O)[O-] ZINC001170504978 763388446 /nfs/dbraw/zinc/38/84/46/763388446.db2.gz ICSBVFXYCYEXKK-UHFFFAOYSA-N 1 0 305.722 0.442 20 5 DCBDRO C[NH+]1CCC(CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001116345335 765863184 /nfs/dbraw/zinc/86/31/84/765863184.db2.gz QLPNSGKIPSDSMH-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116633892 765890666 /nfs/dbraw/zinc/89/06/66/765890666.db2.gz LSCQRYKTBZWYER-NSHDSACASA-N 1 0 324.385 0.084 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc([N+](=O)[O-])cc1OC ZINC001170870434 766173137 /nfs/dbraw/zinc/17/31/37/766173137.db2.gz RLNGPHLPXQJNEH-NXEZZACHSA-N 1 0 310.310 0.561 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001118921533 766470346 /nfs/dbraw/zinc/47/03/46/766470346.db2.gz WYHBWUDXUZKCCW-UWVGGRQHSA-N 1 0 308.338 0.578 20 5 DCBDRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCOC1)Nc1ccccc1[N+](=O)[O-] ZINC001171144953 766812522 /nfs/dbraw/zinc/81/25/22/766812522.db2.gz SLOBRDATFCSSOZ-AAEUAGOBSA-N 1 0 323.349 0.910 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC2)C[C@H](O)CCO3)n1 ZINC001119933561 766865334 /nfs/dbraw/zinc/86/53/34/766865334.db2.gz BMNANVYUJBYZDY-GFCCVEGCSA-N 1 0 310.354 0.797 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001120289981 766956874 /nfs/dbraw/zinc/95/68/74/766956874.db2.gz LOHLYVCITTVSDB-QJPTWQEYSA-N 1 0 322.369 0.375 20 5 DCBDRO Cc1nnc([C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001171217236 767020620 /nfs/dbraw/zinc/02/06/20/767020620.db2.gz OMNOKEQARICQHV-PWSUYJOCSA-N 1 0 321.341 0.068 20 5 DCBDRO COCC[NH+](CCOC)C1CN(c2ccc([N+](=O)[O-])cn2)C1 ZINC001120944374 767320543 /nfs/dbraw/zinc/32/05/43/767320543.db2.gz XGQMCIXOXKXPHR-UHFFFAOYSA-N 1 0 310.354 0.773 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)C[C@H]2C1 ZINC001121152524 767431351 /nfs/dbraw/zinc/43/13/51/767431351.db2.gz GUJCUUWWJOIYLK-JHJVBQTASA-N 1 0 321.381 0.980 20 5 DCBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC001122287746 767760912 /nfs/dbraw/zinc/76/09/12/767760912.db2.gz ILCOWECCFAAWGI-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO Cc1ccnc(NCCNC(=O)C23CC[NH+](CC2)C3)c1[N+](=O)[O-] ZINC001093768770 768718921 /nfs/dbraw/zinc/71/89/21/768718921.db2.gz HTIDTLLIWWYKFP-UHFFFAOYSA-N 1 0 319.365 0.922 20 5 DCBDRO C[NH+](C)CCCC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001094094133 768859997 /nfs/dbraw/zinc/85/99/97/768859997.db2.gz JNSRXUOMVYEPAU-UHFFFAOYSA-N 1 0 311.342 0.565 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C2=NO[C@H]3C[NH2+]C[C@@H]23)n1 ZINC001212628618 769386493 /nfs/dbraw/zinc/38/64/93/769386493.db2.gz DENHAUDDWPQGQW-SVRRBLITSA-N 1 0 320.240 0.501 20 5 DCBDRO C[C@@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC001233621508 769411780 /nfs/dbraw/zinc/41/17/80/769411780.db2.gz XQVYXMMVXMPQGM-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C[C@H](O)CO)c1F ZINC001173186283 769556304 /nfs/dbraw/zinc/55/63/04/769556304.db2.gz PKWQHLSGVFTHAQ-UWVGGRQHSA-N 1 0 316.329 0.959 20 5 DCBDRO NC(=O)CCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001153455944 769817583 /nfs/dbraw/zinc/81/75/83/769817583.db2.gz RPBRAUBJDYJJDL-UHFFFAOYSA-N 1 0 308.338 0.456 20 5 DCBDRO COC(=O)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001176028858 770005334 /nfs/dbraw/zinc/00/53/34/770005334.db2.gz QGBDETPCVIWTGM-ZJUUUORDSA-N 1 0 309.322 0.923 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@H](O)c2ccco2)nc1C1C[NH2+]C1 ZINC001154880209 770325015 /nfs/dbraw/zinc/32/50/15/770325015.db2.gz DTPHYQGNXQRPJI-JTQLQIEISA-N 1 0 305.294 0.810 20 5 DCBDRO CC(C)[NH+]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])n[nH]2)CC1 ZINC001155042888 770372915 /nfs/dbraw/zinc/37/29/15/770372915.db2.gz JASUYRJGGRYHOH-UHFFFAOYSA-N 1 0 310.358 0.673 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001155151366 770413514 /nfs/dbraw/zinc/41/35/14/770413514.db2.gz CMXXITYFLOTQSR-NSHDSACASA-N 1 0 312.301 0.846 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc([N+](=O)[O-])cnc1N ZINC001155156192 770417623 /nfs/dbraw/zinc/41/76/23/770417623.db2.gz WLTLXQHYJQRTTR-VHSXEESVSA-N 1 0 305.338 0.881 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)n1 ZINC001155544841 770540151 /nfs/dbraw/zinc/54/01/51/770540151.db2.gz FCSMAQGNAJRTEE-AMIZOPFISA-N 1 0 308.294 0.319 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncnc3cc([N+](=O)[O-])ccc32)N1 ZINC001155571190 770548701 /nfs/dbraw/zinc/54/87/01/770548701.db2.gz RMODOORSCXITML-RISCZKNCSA-N 1 0 314.305 0.528 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155620539 770568030 /nfs/dbraw/zinc/56/80/30/770568030.db2.gz LMJAAMFNEIMWBE-BXUZGUMPSA-N 1 0 308.338 0.860 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N2CC[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001156229253 770756056 /nfs/dbraw/zinc/75/60/56/770756056.db2.gz WLJCMZJRMXENRY-RXMQYKEDSA-N 1 0 301.690 0.362 20 5 DCBDRO Cn1cnnc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458507 770759798 /nfs/dbraw/zinc/75/97/98/770759798.db2.gz JQGIJTWFQYXNCA-VXGBXAGGSA-N 1 0 324.385 0.247 20 5 DCBDRO Cn1cc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001157454366 771613176 /nfs/dbraw/zinc/61/31/76/771613176.db2.gz MKLAGIXMMSEJHE-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001157760321 771664442 /nfs/dbraw/zinc/66/44/42/771664442.db2.gz BRAUHHOLRKJMIT-ZIAGYGMSSA-N 1 0 307.350 0.956 20 5 DCBDRO O=C(NCCC[NH2+]CCn1cc(Cl)cn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767001 771666102 /nfs/dbraw/zinc/66/61/02/771666102.db2.gz CXVXGSKJAUZXRT-GHMZBOCLSA-N 1 0 315.761 0.298 20 5 DCBDRO CC(C)(C)c1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1 ZINC001157767687 771666115 /nfs/dbraw/zinc/66/61/15/771666115.db2.gz RLYZXRZWDRXOIR-NXEZZACHSA-N 1 0 324.385 0.363 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2cncc2C[C@@H]([NH3+])CO)n1 ZINC001158204557 771741070 /nfs/dbraw/zinc/74/10/70/771741070.db2.gz QTKNQBCGNTXCLR-SSDOTTSWSA-N 1 0 312.717 0.394 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001158304653 771756104 /nfs/dbraw/zinc/75/61/04/771756104.db2.gz CUTYKPFYMURJLK-GFCCVEGCSA-N 1 0 307.354 0.873 20 5 DCBDRO COc1nc(N2CCO[C@H](C[NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC001158306329 771756633 /nfs/dbraw/zinc/75/66/33/771756633.db2.gz XHPPQRVIEHWTEU-LLVKDONJSA-N 1 0 323.353 0.694 20 5 DCBDRO COC(=O)c1ccnc(N[C@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159497213 771919701 /nfs/dbraw/zinc/91/97/01/771919701.db2.gz HESOZBRVYRGXNB-PSASIEDQSA-N 1 0 310.310 0.565 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001159502590 771921118 /nfs/dbraw/zinc/92/11/18/771921118.db2.gz NTVHJNABUDMNPL-XCBNKYQSSA-N 1 0 324.341 0.440 20 5 DCBDRO COc1cc2ncnc(N[C@H]3C[NH2+]C[C@@H]3CO)c2cc1[N+](=O)[O-] ZINC001159677583 771942826 /nfs/dbraw/zinc/94/28/26/771942826.db2.gz LAEWYDNOXQDUOC-KCJUWKMLSA-N 1 0 319.321 0.539 20 5 DCBDRO COC(=O)c1nc(Cl)nc(NCC(C)(C)[NH3+])c1[N+](=O)[O-] ZINC001160025180 771989800 /nfs/dbraw/zinc/98/98/00/771989800.db2.gz OHSPJBHGDHUWDM-UHFFFAOYSA-N 1 0 303.706 0.974 20 5 DCBDRO [NH3+]C[C@@]1(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160512161 772054406 /nfs/dbraw/zinc/05/44/06/772054406.db2.gz SPTSVDCNDVHAEZ-CYBMUJFWSA-N 1 0 322.325 0.733 20 5 DCBDRO O=[N+]([O-])c1cnc(NC2(c3ncccn3)CC2)nc1C1C[NH2+]C1 ZINC001161319644 772203689 /nfs/dbraw/zinc/20/36/89/772203689.db2.gz XAUMVTHEYJIAAI-UHFFFAOYSA-N 1 0 313.321 0.963 20 5 DCBDRO CCOC(=O)COc1ncc(NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC001161668857 772262853 /nfs/dbraw/zinc/26/28/53/772262853.db2.gz SJKIHWZTEYBMGD-UHFFFAOYSA-N 1 0 312.326 0.905 20 5 DCBDRO COC[C@@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C1CC1 ZINC001161721627 772272381 /nfs/dbraw/zinc/27/23/81/772272381.db2.gz YOTNJTYPEULTFN-LLVKDONJSA-N 1 0 322.369 0.631 20 5 DCBDRO NC(=O)c1ccnc(NC[C@@]2(F)CCCC[NH2+]C2)c1[N+](=O)[O-] ZINC001162581060 772395088 /nfs/dbraw/zinc/39/50/88/772395088.db2.gz XNJCHCJLYQLWTE-CYBMUJFWSA-N 1 0 311.317 0.982 20 5 DCBDRO COC(=O)c1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC001162795485 772419070 /nfs/dbraw/zinc/41/90/70/772419070.db2.gz WOTCYIVCSDXUGF-INTQDDNPSA-N 1 0 304.306 0.962 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)n1 ZINC001162802369 772420828 /nfs/dbraw/zinc/42/08/28/772420828.db2.gz MSEVUEGCMFUANH-GMTAPVOTSA-N 1 0 318.337 0.838 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163093851 772460366 /nfs/dbraw/zinc/46/03/66/772460366.db2.gz ANTGCJKCHSTYNX-SOCHQFKDSA-N 1 0 314.729 0.528 20 5 DCBDRO CN1Cc2cc(NC[C@@]34C[NH2+][C@@H](CO3)C4)cc([N+](=O)[O-])c2N1 ZINC001163206354 772482143 /nfs/dbraw/zinc/48/21/43/772482143.db2.gz JSZGELDBQIZBMO-RISCZKNCSA-N 1 0 305.338 0.910 20 5 DCBDRO CCOc1cnc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163239917 772488285 /nfs/dbraw/zinc/48/82/85/772488285.db2.gz WFRGZFDLTLQUFD-GWCFXTLKSA-N 1 0 307.310 0.379 20 5 DCBDRO COc1cc(C)c([N+](=O)[O-])cc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163250964 772491321 /nfs/dbraw/zinc/49/13/21/772491321.db2.gz PSLFJAUGSXGIFB-TZMCWYRMSA-N 1 0 306.322 0.902 20 5 DCBDRO C[C@@H]1CN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCCO1 ZINC001163960184 772599550 /nfs/dbraw/zinc/59/95/50/772599550.db2.gz APTBPPUIRRVKDE-LLVKDONJSA-N 1 0 322.369 0.410 20 5 DCBDRO Cn1cncc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490202 772667385 /nfs/dbraw/zinc/66/73/85/772667385.db2.gz CYNYAQXSHXDNKL-CHWSQXEVSA-N 1 0 321.381 0.461 20 5 DCBDRO COC(=O)c1ccnc(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)c1[N+](=O)[O-] ZINC001165270377 772713768 /nfs/dbraw/zinc/71/37/68/772713768.db2.gz DDOPEHMIGWYGHE-QWRGUYRKSA-N 1 0 322.321 0.344 20 5 DCBDRO CCOC(=O)c1ccnc(N2CCOCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001165286414 772717761 /nfs/dbraw/zinc/71/77/61/772717761.db2.gz CPMVRMRFGNDJKC-UHFFFAOYSA-N 1 0 322.321 0.345 20 5 DCBDRO O=[N+]([O-])c1ccc2nc(N3CCOCC34C[NH2+]C4)cnc2c1 ZINC001165287640 772718267 /nfs/dbraw/zinc/71/82/67/772718267.db2.gz IZUOICBDRXEKCN-UHFFFAOYSA-N 1 0 301.306 0.717 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001165436898 772737073 /nfs/dbraw/zinc/73/70/73/772737073.db2.gz MEQHJNRFFJXLFZ-ZETCQYMHSA-N 1 0 315.717 0.298 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001166702631 772844110 /nfs/dbraw/zinc/84/41/10/772844110.db2.gz ZUKXCRNUABPXPJ-SNVBAGLBSA-N 1 0 316.321 0.626 20 5 DCBDRO Cn1cc2c(n1)CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001166749758 772855617 /nfs/dbraw/zinc/85/56/17/772855617.db2.gz IFSZYQLYZZDDEK-UHFFFAOYSA-N 1 0 315.337 0.368 20 5 DCBDRO COC(=O)c1ccnc(N2CC[C@@H]([NH3+])C(F)(F)C2)c1[N+](=O)[O-] ZINC001166959539 772889925 /nfs/dbraw/zinc/88/99/25/772889925.db2.gz ZFXHJHHIUVKGDV-MRVPVSSYSA-N 1 0 316.264 0.949 20 5 DCBDRO CNC(=O)C1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC001197826324 773814016 /nfs/dbraw/zinc/81/40/16/773814016.db2.gz MDCWIZXJSFHRAK-UHFFFAOYSA-N 1 0 323.349 0.988 20 5 DCBDRO C[N+](C)(C)CCCO[C@@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001224621225 775588521 /nfs/dbraw/zinc/58/85/21/775588521.db2.gz OBOUHDZMJRJABC-AWEZNQCLSA-O 1 0 318.439 0.343 20 5 DCBDRO COC(=O)c1ccc(F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225702924 775709987 /nfs/dbraw/zinc/70/99/87/775709987.db2.gz BEIZMLAKDVYJNQ-LLVKDONJSA-N 1 0 314.333 0.975 20 5 DCBDRO COC(=O)c1c(O)cccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227149549 775936757 /nfs/dbraw/zinc/93/67/57/775936757.db2.gz RAPFZIAMQNUPMN-SNVBAGLBSA-O 1 0 312.342 0.541 20 5 DCBDRO O=C(NCC[NH+]1CCC(O)CC1)NCc1cccc([N+](=O)[O-])c1 ZINC001228677955 776113208 /nfs/dbraw/zinc/11/32/08/776113208.db2.gz FBFQHQLZLHIVLG-UHFFFAOYSA-N 1 0 322.365 0.851 20 5 DCBDRO COC(=O)c1cc(F)cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001230414883 776298558 /nfs/dbraw/zinc/29/85/58/776298558.db2.gz UMXZUKNTXINIPO-GFCCVEGCSA-N 1 0 314.333 0.975 20 5 DCBDRO CC(C)OCC(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001266652650 939193491 /nfs/dbraw/zinc/19/34/91/939193491.db2.gz FNYGFBZWXJSUIW-UHFFFAOYSA-N 1 0 313.358 0.301 20 5 DCBDRO CC(=O)N(C)CC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001267187590 939378205 /nfs/dbraw/zinc/37/82/05/939378205.db2.gz ZAUKUMAQAUOBDA-UHFFFAOYSA-N 1 0 322.365 0.621 20 5 DCBDRO O=C(NC/C=C\C[NH2+]Cc1ccc(F)cn1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483007188 941774536 /nfs/dbraw/zinc/77/45/36/941774536.db2.gz GRKSXHAUGNULKV-IKGCNYHESA-N 1 0 308.313 0.648 20 5 DCBDRO CCc1nc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001493545834 942702498 /nfs/dbraw/zinc/70/24/98/942702498.db2.gz QONDXGBHAXEPQO-GHMZBOCLSA-N 1 0 310.354 0.759 20 5 DCBDRO COC(=O)[C@H](CCC[NH3+])N[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246402996 945404652 /nfs/dbraw/zinc/40/46/52/945404652.db2.gz ZDEHPIZGBCFMSY-JSGCOSHPSA-N 1 0 307.350 0.932 20 5 DCBDRO COC(=O)[C@@H]1C[C@H]([NH3+])CN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246905552 945516590 /nfs/dbraw/zinc/51/65/90/945516590.db2.gz PJQAYPSTJNIKJM-YUTCNCBUSA-N 1 0 305.334 0.637 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1Cc1nc(-c2ncc(F)cc2[N+](=O)[O-])no1 ZINC001248311626 945596262 /nfs/dbraw/zinc/59/62/62/945596262.db2.gz CTNUKIILTVNTHM-MRVPVSSYSA-N 1 0 322.300 0.973 20 5 DCBDRO CC(C)(CCC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[N+](=O)[O-] ZINC001324523869 947447928 /nfs/dbraw/zinc/44/79/28/947447928.db2.gz OZVNJDCGHZXIHQ-GFCCVEGCSA-N 1 0 301.387 0.785 20 5 DCBDRO C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC001262558315 947726267 /nfs/dbraw/zinc/72/62/67/947726267.db2.gz ATEOZACWGKLEQI-CMPLNLGQSA-N 1 0 308.338 0.943 20 5 DCBDRO C[NH2+]CCN(C)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001328496949 948925891 /nfs/dbraw/zinc/92/58/91/948925891.db2.gz YMMNARBVMIIKHY-UHFFFAOYSA-N 1 0 309.326 0.394 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001328965788 949245088 /nfs/dbraw/zinc/24/50/88/949245088.db2.gz QYSHJOPQGLZIKG-GXSJLCMTSA-N 1 0 306.322 0.250 20 5 DCBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001329821675 949895269 /nfs/dbraw/zinc/89/52/69/949895269.db2.gz FXZOUFAWFWMICS-UHFFFAOYSA-N 1 0 322.365 0.449 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC1CCOCC1 ZINC001490324528 950574259 /nfs/dbraw/zinc/57/42/59/950574259.db2.gz IIDVZFKHZBTLRG-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC001331514345 951152131 /nfs/dbraw/zinc/15/21/31/951152131.db2.gz FBJFCECOZAULHM-JTQLQIEISA-N 1 0 322.365 0.634 20 5 DCBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001331736857 951280412 /nfs/dbraw/zinc/28/04/12/951280412.db2.gz AIZJXVWIWMVSFW-JOYOIKCWSA-N 1 0 306.322 0.078 20 5 DCBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001326187530 952514800 /nfs/dbraw/zinc/51/48/00/952514800.db2.gz HGUNRPHXSCMGBH-VIFPVBQESA-N 1 0 317.367 0.880 20 5 DCBDRO C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NCC[N+](=O)[O-] ZINC001335414588 952534178 /nfs/dbraw/zinc/53/41/78/952534178.db2.gz ZDEFCLKCZZLWEZ-AWEZNQCLSA-N 1 0 308.382 0.142 20 5 DCBDRO C[C@H](c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001338056530 952955706 /nfs/dbraw/zinc/95/57/06/952955706.db2.gz KWZDAKKXVQFKPH-VXGBXAGGSA-N 1 0 324.385 0.311 20 5 DCBDRO C[C@H]1CN(c2nnc(C[N+](=O)[O-])n2C)CC[N@@H+](C2CCC2)C1 ZINC001338061379 952956975 /nfs/dbraw/zinc/95/69/75/952956975.db2.gz ZVPSMIBNMOEOOD-LLVKDONJSA-N 1 0 308.386 0.902 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc(C[N+](=O)[O-])n1C ZINC001339663303 953110833 /nfs/dbraw/zinc/11/08/33/953110833.db2.gz AJWCZTWAIGWCNV-LLVKDONJSA-N 1 0 324.385 0.281 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001339933865 953132438 /nfs/dbraw/zinc/13/24/38/953132438.db2.gz FQQOIIVOXFATCQ-CQSZACIVSA-N 1 0 304.350 0.383 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCOCC2)n1 ZINC001341406344 953228855 /nfs/dbraw/zinc/22/88/55/953228855.db2.gz YNJQSKAWTAGCMK-UHFFFAOYSA-N 1 0 311.342 0.169 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC001341574255 953238499 /nfs/dbraw/zinc/23/84/99/953238499.db2.gz QOFVUKSHHODVJY-NSHDSACASA-N 1 0 308.338 0.749 20 5 DCBDRO C[C@H](C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC001346109703 953802964 /nfs/dbraw/zinc/80/29/64/953802964.db2.gz KGTNYPVFUKNCDT-LLVKDONJSA-N 1 0 315.395 0.908 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001347539232 954115155 /nfs/dbraw/zinc/11/51/55/954115155.db2.gz IRQPDHOSIDLTPY-YNEHKIRRSA-N 1 0 321.381 0.946 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001347858252 954174001 /nfs/dbraw/zinc/17/40/01/954174001.db2.gz ZTLQFGPUTQMULV-LLVKDONJSA-N 1 0 323.353 0.311 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001350863265 955207974 /nfs/dbraw/zinc/20/79/74/955207974.db2.gz ZJLBUZRBONTTMV-XHDPSFHLSA-N 1 0 316.361 0.872 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC001353632817 956128775 /nfs/dbraw/zinc/12/87/75/956128775.db2.gz GCYDDGAXPQXFCK-AWEZNQCLSA-N 1 0 307.354 0.702 20 5 DCBDRO CCN1CC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001290799336 956889500 /nfs/dbraw/zinc/88/95/00/956889500.db2.gz IWOBHVRQLZQFCY-ZDUSSCGKSA-N 1 0 319.365 0.733 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC001356597475 956907034 /nfs/dbraw/zinc/90/70/34/956907034.db2.gz VLAOFIXHLNIJIU-UHFFFAOYSA-N 1 0 307.354 0.299 20 5 DCBDRO C[C@H]1[C@@H](NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001303798404 960063783 /nfs/dbraw/zinc/06/37/83/960063783.db2.gz AUFDGDCFCQMSSQ-GWCFXTLKSA-N 1 0 320.349 0.533 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC001308005538 960163035 /nfs/dbraw/zinc/16/30/35/960163035.db2.gz JSEPPCTXBPNCBC-KGLIPLIRSA-N 1 0 323.349 0.659 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001308161277 960167779 /nfs/dbraw/zinc/16/77/79/960167779.db2.gz BIYCPZXRULPHFR-WCQYABFASA-N 1 0 323.349 0.116 20 5 DCBDRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001311240603 960248740 /nfs/dbraw/zinc/24/87/40/960248740.db2.gz FYHMJKHJJFZKAN-SNVBAGLBSA-N 1 0 321.337 0.909 20 5 DCBDRO C[C@@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC001465946117 1016035205 /nfs/dbraw/zinc/03/52/05/1016035205.db2.gz XRSIXPJQWFIWLF-ZWNOBZJWSA-N 1 0 322.369 0.168 20 5 DCBDRO O=C(NC1(CO)CC[NH+](CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001505376825 1016197561 /nfs/dbraw/zinc/19/75/61/1016197561.db2.gz OUHPVDFDGIDMDQ-CHWSQXEVSA-N 1 0 311.382 0.395 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCC2)CC1 ZINC001470332640 1016417365 /nfs/dbraw/zinc/41/73/65/1016417365.db2.gz JXELHEOTRQZPBC-UHFFFAOYSA-N 1 0 305.338 0.882 20 5 DCBDRO CC1(C)C[C@@H](O)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001473476858 1016934062 /nfs/dbraw/zinc/93/40/62/1016934062.db2.gz QIMDVQHNMWTGOR-STQMWFEESA-N 1 0 312.370 0.635 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001444544599 1011055998 /nfs/dbraw/zinc/05/59/98/1011055998.db2.gz CLITVRMHCQXRES-MWLCHTKSSA-N 1 0 307.354 0.984 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556895178 1012239654 /nfs/dbraw/zinc/23/96/54/1012239654.db2.gz JNTHUQUXKYZTCI-NOZJJQNGSA-N 1 0 305.338 0.504 20 5 DCBDRO Nc1ccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001558549112 1012364890 /nfs/dbraw/zinc/36/48/90/1012364890.db2.gz MLOPILCBHNNIBT-SNVBAGLBSA-N 1 0 306.322 0.380 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001559261255 1012410774 /nfs/dbraw/zinc/41/07/74/1012410774.db2.gz RJVWWMIGVJGRPA-CQSZACIVSA-N 1 0 308.338 0.197 20 5 DCBDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC001460406889 1012904492 /nfs/dbraw/zinc/90/44/92/1012904492.db2.gz QMOZFYUPONYNAX-RTXFEEFZSA-N 1 0 312.370 0.984 20 5 DCBDRO C[N@H+]1CC=C(CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)CC1 ZINC000330702038 530047193 /nfs/dbraw/zinc/04/71/93/530047193.db2.gz ZIMKHPAAVQEMAE-UHFFFAOYSA-N 1 0 307.354 0.905 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CCO[C@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000331926465 234286517 /nfs/dbraw/zinc/28/65/17/234286517.db2.gz DFOVEIUESSCHIA-PWSUYJOCSA-N 1 0 323.353 0.356 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000161462451 237095571 /nfs/dbraw/zinc/09/55/71/237095571.db2.gz KNVBKICGTLNKBG-GFCCVEGCSA-N 1 0 317.367 0.186 20 5 DCBDRO CCc1nc(C)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000319818755 291256740 /nfs/dbraw/zinc/25/67/40/291256740.db2.gz RULHGWLDQQDSHG-NSHDSACASA-N 1 0 309.326 0.801 20 5 DCBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000423691266 291304463 /nfs/dbraw/zinc/30/44/63/291304463.db2.gz YYTMMSICWFZLGE-GXSJLCMTSA-N 1 0 321.333 0.857 20 5 DCBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415731980 239627301 /nfs/dbraw/zinc/62/73/01/239627301.db2.gz VVHPRHSPRNBVGG-CPCISQLKSA-N 1 0 310.285 0.621 20 5 DCBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CNCCO1 ZINC000423527498 240200025 /nfs/dbraw/zinc/20/00/25/240200025.db2.gz RMTKBEPNNRLVFH-FZMZJTMJSA-N 1 0 322.365 0.890 20 5 DCBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000567180239 291341883 /nfs/dbraw/zinc/34/18/83/291341883.db2.gz CZOVDIYMHZQWMI-NTZNESFSSA-N 1 0 304.350 0.900 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc3c(c2)COC3)c1 ZINC000567345481 291349756 /nfs/dbraw/zinc/34/97/56/291349756.db2.gz JQDRXFUASGQCPS-HNNXBMFYSA-N 1 0 318.333 0.972 20 5 DCBDRO C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000567501440 291358832 /nfs/dbraw/zinc/35/88/32/291358832.db2.gz TVFBTGCFKTWSNZ-JTQLQIEISA-N 1 0 314.367 0.610 20 5 DCBDRO CC1(C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCO[C@@H]21 ZINC000567689085 291369785 /nfs/dbraw/zinc/36/97/85/291369785.db2.gz CASQNSCCNBKXNX-RVMXOQNASA-N 1 0 310.354 0.555 20 5 DCBDRO O=C(CC[NH2+]C[C@H]1CNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000567693342 291370664 /nfs/dbraw/zinc/37/06/64/291370664.db2.gz PWHZFJJQKVGEOL-JTQLQIEISA-N 1 0 306.322 0.649 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c1 ZINC000567873550 291386556 /nfs/dbraw/zinc/38/65/56/291386556.db2.gz YGNYCFOIMPWJGO-RBSFLKMASA-N 1 0 324.381 0.539 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CCC([NH3+])CC2)ccc1[N+](=O)[O-] ZINC000568864028 291449707 /nfs/dbraw/zinc/44/97/07/291449707.db2.gz RVKUTMVLHVHCRD-UHFFFAOYSA-N 1 0 320.349 0.583 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264816847 204179931 /nfs/dbraw/zinc/17/99/31/204179931.db2.gz ZCPAIEASYIGYHW-LBPRGKRZSA-N 1 0 321.381 0.369 20 5 DCBDRO CCC[NH2+]CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000054267464 183932694 /nfs/dbraw/zinc/93/26/94/183932694.db2.gz IMNLCUZWLTTWEV-UHFFFAOYSA-N 1 0 316.383 0.914 20 5 DCBDRO C[NH+]1CC2(C1)CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000340036643 253189023 /nfs/dbraw/zinc/18/90/23/253189023.db2.gz SFGXFCHYKXBGBU-UHFFFAOYSA-N 1 0 318.333 0.697 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC1CCC(C[NH3+])CC1 ZINC000343635567 253677394 /nfs/dbraw/zinc/67/73/94/253677394.db2.gz YFJPWZOGVCUTTJ-UHFFFAOYSA-N 1 0 309.370 0.981 20 5 DCBDRO CC(C)[N@@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000343266694 253625381 /nfs/dbraw/zinc/62/53/81/253625381.db2.gz LTEYOGQWDKXPDB-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO Cc1ccc(CN(C)CC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000347063245 254125818 /nfs/dbraw/zinc/12/58/18/254125818.db2.gz IZUITUPUWDRLML-UHFFFAOYSA-N 1 0 306.366 0.767 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000349996833 254307976 /nfs/dbraw/zinc/30/79/76/254307976.db2.gz WWKDMMLQOOIPPW-SECBINFHSA-N 1 0 304.310 0.643 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000294712568 224185370 /nfs/dbraw/zinc/18/53/70/224185370.db2.gz BNHBEPALQXJRMG-MSRIBSCDSA-N 1 0 313.317 0.728 20 5 DCBDRO NC(=O)C1(O)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000284426946 131080193 /nfs/dbraw/zinc/08/01/93/131080193.db2.gz YIKKRGAQHMCNKD-UHFFFAOYSA-N 1 0 309.322 0.286 20 5 DCBDRO O=C([C@@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)N1CC[NH2+]CC1 ZINC000031946542 395708895 /nfs/dbraw/zinc/70/88/95/395708895.db2.gz QTHPNYMOLMLLBA-GFCCVEGCSA-N 1 0 319.365 0.638 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042098120 395742683 /nfs/dbraw/zinc/74/26/83/395742683.db2.gz JIWSCYUDRPFTQY-UHFFFAOYSA-N 1 0 310.329 0.944 20 5 DCBDRO CS(=O)(=O)c1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000107571213 395785496 /nfs/dbraw/zinc/78/54/96/395785496.db2.gz ILUMNXVUONRMAD-NXEZZACHSA-N 1 0 311.363 0.654 20 5 DCBDRO CNS(=O)(=O)c1ccc(N[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093795 395858848 /nfs/dbraw/zinc/85/88/48/395858848.db2.gz PSPSRCRGIGKCBB-QMMMGPOBSA-N 1 0 300.340 0.277 20 5 DCBDRO CS[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H]1[NH+](C)C ZINC000271215823 395847393 /nfs/dbraw/zinc/84/73/93/395847393.db2.gz ZFTLGDHLUCDPDV-VHSXEESVSA-N 1 0 313.383 0.295 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000272551476 395899414 /nfs/dbraw/zinc/89/94/14/395899414.db2.gz CYYYEMGSFHZHHX-DGCLKSJQSA-N 1 0 320.349 0.309 20 5 DCBDRO CN1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000124310221 395900451 /nfs/dbraw/zinc/90/04/51/395900451.db2.gz ZJZXDCQYCVHKCR-SNVBAGLBSA-N 1 0 312.757 0.963 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053254411 395878943 /nfs/dbraw/zinc/87/89/43/395878943.db2.gz QRJHCGWLSYWRAZ-SECBINFHSA-N 1 0 315.351 0.634 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000230735431 395881714 /nfs/dbraw/zinc/88/17/14/395881714.db2.gz AWTMAAKKDFCWQD-GFCCVEGCSA-N 1 0 315.351 0.634 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000272350466 395885267 /nfs/dbraw/zinc/88/52/67/395885267.db2.gz AUVNHRWFZYNIDK-NSHDSACASA-N 1 0 321.381 0.543 20 5 DCBDRO Cc1nccn1CCC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000136307520 395945948 /nfs/dbraw/zinc/94/59/48/395945948.db2.gz VSYGPHVHZWVGEK-CQSZACIVSA-N 1 0 322.369 0.679 20 5 DCBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000138888802 395952612 /nfs/dbraw/zinc/95/26/12/395952612.db2.gz FIYSFFYOGBAGDB-RYUDHWBXSA-N 1 0 324.385 0.671 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH2+]C1CC1 ZINC000151500929 395986620 /nfs/dbraw/zinc/98/66/20/395986620.db2.gz CPPDNMPVBMJLRP-SNVBAGLBSA-N 1 0 320.349 0.581 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261599565 396048117 /nfs/dbraw/zinc/04/81/17/396048117.db2.gz BFKDXMUAJVJGIX-GWCFXTLKSA-N 1 0 311.363 0.967 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261854761 396072487 /nfs/dbraw/zinc/07/24/87/396072487.db2.gz FCNVGMTWOXAJTE-LLVKDONJSA-N 1 0 307.354 0.590 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000262037927 396092505 /nfs/dbraw/zinc/09/25/05/396092505.db2.gz BMZDKHCGSZJEJZ-ZDUSSCGKSA-N 1 0 308.338 0.311 20 5 DCBDRO CCc1n[nH]c(C(=O)N2CCN(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000278112613 396106691 /nfs/dbraw/zinc/10/66/91/396106691.db2.gz XLPYEIXTXAUIHO-UHFFFAOYSA-N 1 0 324.385 0.200 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262409030 396136713 /nfs/dbraw/zinc/13/67/13/396136713.db2.gz CWTARQHOSMOCEY-CQSZACIVSA-N 1 0 304.350 0.715 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261885636 396075946 /nfs/dbraw/zinc/07/59/46/396075946.db2.gz NCSSRUUOSAZRFU-YGRLFVJLSA-N 1 0 322.365 0.872 20 5 DCBDRO Cn1c(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000262564998 396156255 /nfs/dbraw/zinc/15/62/55/396156255.db2.gz WLESYDXMQATCMR-NSHDSACASA-N 1 0 307.354 0.053 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177046386 396165560 /nfs/dbraw/zinc/16/55/60/396165560.db2.gz BWKQGEHPHRUHEB-ONGXEEELSA-N 1 0 307.354 0.841 20 5 DCBDRO C[NH2+]CCCNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000262742101 396178033 /nfs/dbraw/zinc/17/80/33/396178033.db2.gz IXZGZZASOZTXRP-UHFFFAOYSA-N 1 0 322.321 0.046 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000075713274 396185190 /nfs/dbraw/zinc/18/51/90/396185190.db2.gz DKSLJUAAQSFBLI-HNNXBMFYSA-N 1 0 320.349 0.647 20 5 DCBDRO Cc1nn(CCC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000262879751 396189440 /nfs/dbraw/zinc/18/94/40/396189440.db2.gz VVLLFJKBACGQAT-CABZTGNLSA-N 1 0 309.370 0.912 20 5 DCBDRO CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CC[NH2+]C1 ZINC000178926662 396215177 /nfs/dbraw/zinc/21/51/77/396215177.db2.gz RVSMHQBCJMYPBU-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO CN(CC[NH+](C)C)c1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000080685316 396284301 /nfs/dbraw/zinc/28/43/01/396284301.db2.gz KERQRIUUUUICAM-UHFFFAOYSA-N 1 0 302.356 0.240 20 5 DCBDRO CNC(=O)NC(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282385988 396286703 /nfs/dbraw/zinc/28/67/03/396286703.db2.gz GIQTXSZCVCBPFR-UHFFFAOYSA-N 1 0 308.338 0.915 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000080879920 396287541 /nfs/dbraw/zinc/28/75/41/396287541.db2.gz ZHQOJVMFUSIJJG-UHFFFAOYSA-N 1 0 323.349 0.790 20 5 DCBDRO CCCc1n[nH]c(C(=O)NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000265650466 396333710 /nfs/dbraw/zinc/33/37/10/396333710.db2.gz OGSPAJXSZOHYDC-UHFFFAOYSA-N 1 0 324.385 0.248 20 5 DCBDRO COCC[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283403688 396334929 /nfs/dbraw/zinc/33/49/29/396334929.db2.gz VGUSOLIONPDAMZ-UHFFFAOYSA-N 1 0 311.338 0.864 20 5 DCBDRO CC(C)(C(=O)NCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000269125811 396387575 /nfs/dbraw/zinc/38/75/75/396387575.db2.gz DGTDQVYVDYLLBK-UHFFFAOYSA-N 1 0 320.393 0.894 20 5 DCBDRO CC1CC[NH+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC000269653936 396432792 /nfs/dbraw/zinc/43/27/92/396432792.db2.gz UWHRDUOIHXNZDJ-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515376338 396504317 /nfs/dbraw/zinc/50/43/17/396504317.db2.gz JITRVCRTLIRXKT-DGCLKSJQSA-N 1 0 320.353 0.553 20 5 DCBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)CC1 ZINC000270276735 396463969 /nfs/dbraw/zinc/46/39/69/396463969.db2.gz URMZULYNZAPCHP-ZDUSSCGKSA-N 1 0 321.381 0.982 20 5 DCBDRO O=C1C[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC000595290067 396581301 /nfs/dbraw/zinc/58/13/01/396581301.db2.gz HDROICZISURNEC-LBPRGKRZSA-N 1 0 304.350 0.853 20 5 DCBDRO C[NH+](C)CCCNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000293061341 396584541 /nfs/dbraw/zinc/58/45/41/396584541.db2.gz REZPWXQZWQJVGE-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)nc1 ZINC000595113022 396550640 /nfs/dbraw/zinc/55/06/40/396550640.db2.gz JEWFYUSVBHCDJV-UHFFFAOYSA-N 1 0 314.367 0.658 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000373057080 396562539 /nfs/dbraw/zinc/56/25/39/396562539.db2.gz NHQRZXFTWUYZIB-GWCFXTLKSA-N 1 0 311.363 0.967 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595223848 396566269 /nfs/dbraw/zinc/56/62/69/396566269.db2.gz BVKGNEDHHXBAAW-VXGBXAGGSA-N 1 0 322.369 0.567 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000595274836 396576050 /nfs/dbraw/zinc/57/60/50/396576050.db2.gz BFMOZJVNMHATMK-JTQLQIEISA-N 1 0 308.338 0.975 20 5 DCBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3c[nH]nn3)C2)nc1 ZINC000595374502 396597651 /nfs/dbraw/zinc/59/76/51/396597651.db2.gz CXMWXESMOPNESO-LLVKDONJSA-N 1 0 303.326 0.837 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588862530 396695650 /nfs/dbraw/zinc/69/56/50/396695650.db2.gz DGFCYAILJCNCAJ-CABCVRRESA-N 1 0 319.361 0.805 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860770 396695836 /nfs/dbraw/zinc/69/58/36/396695836.db2.gz LGNNASHSUNDVQG-CABCVRRESA-N 1 0 319.361 0.805 20 5 DCBDRO C[NH2+]C[C@@H](C)NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000596108749 396718482 /nfs/dbraw/zinc/71/84/82/396718482.db2.gz XIIZNPZOFKOZTJ-SNVBAGLBSA-N 1 0 311.338 0.844 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000596128528 396721661 /nfs/dbraw/zinc/72/16/61/396721661.db2.gz KQUJZLDMTLFCAP-CQSZACIVSA-N 1 0 306.322 0.710 20 5 DCBDRO O=CN1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000294210798 396660530 /nfs/dbraw/zinc/66/05/30/396660530.db2.gz MOGXHCIQDXLART-CQSZACIVSA-N 1 0 323.349 0.499 20 5 DCBDRO O=C(NCC(=O)N1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000315688348 396791243 /nfs/dbraw/zinc/79/12/43/396791243.db2.gz BPORUKBSDORKAH-UHFFFAOYSA-N 1 0 307.310 0.148 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563438384 396737116 /nfs/dbraw/zinc/73/71/16/396737116.db2.gz CZXPKKSARFZORE-STQMWFEESA-N 1 0 320.349 0.347 20 5 DCBDRO NC(=O)c1cc(N[C@@H](CO)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000596234653 396741079 /nfs/dbraw/zinc/74/10/79/396741079.db2.gz WECOPTUEVATOSX-GFCCVEGCSA-N 1 0 322.365 0.952 20 5 DCBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](CCO)CCO ZINC000600179169 396749603 /nfs/dbraw/zinc/74/96/03/396749603.db2.gz LNPUVWBKNFAZEQ-LLVKDONJSA-N 1 0 311.338 0.599 20 5 DCBDRO C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000590386449 396768458 /nfs/dbraw/zinc/76/84/58/396768458.db2.gz ABWDNLWWVNRFIG-SNVBAGLBSA-N 1 0 323.353 0.643 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOCC2CCCC2)c1 ZINC000313262491 396769457 /nfs/dbraw/zinc/76/94/57/396769457.db2.gz KIOJWPVKRIYXBF-AWEZNQCLSA-N 1 0 312.370 0.949 20 5 DCBDRO C[C@H](CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000596428626 396771292 /nfs/dbraw/zinc/77/12/92/396771292.db2.gz FVMZWWCORXRKOJ-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@H](CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000596425836 396771633 /nfs/dbraw/zinc/77/16/33/396771633.db2.gz WMEXYCKIHCPVHA-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO C[NH+](C)CC1(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000564511174 396840708 /nfs/dbraw/zinc/84/07/08/396840708.db2.gz TWIMUMALNZMQPO-UHFFFAOYSA-N 1 0 314.367 0.752 20 5 DCBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000563989404 396802301 /nfs/dbraw/zinc/80/23/01/396802301.db2.gz HWWVLAPOHXYFSV-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000332020515 396878873 /nfs/dbraw/zinc/87/88/73/396878873.db2.gz SHURKTUTQKXRBU-WPRPVWTQSA-N 1 0 307.306 0.928 20 5 DCBDRO CCOc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600528338 396883988 /nfs/dbraw/zinc/88/39/88/396883988.db2.gz RLQXXRDZDZUGPD-GFCCVEGCSA-N 1 0 323.349 0.790 20 5 DCBDRO C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000611559065 396886298 /nfs/dbraw/zinc/88/62/98/396886298.db2.gz CDKQJGIKGHRHKD-RNCFNFMXSA-N 1 0 309.322 0.749 20 5 DCBDRO [NH3+]C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCCO1 ZINC000591284864 396893982 /nfs/dbraw/zinc/89/39/82/396893982.db2.gz DJVXYKRNOZOLBV-LBPRGKRZSA-N 1 0 323.349 0.916 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCOCC[NH3+] ZINC000600732516 396931953 /nfs/dbraw/zinc/93/19/53/396931953.db2.gz CCRAJMTZGCLXAN-UHFFFAOYSA-N 1 0 310.354 0.749 20 5 DCBDRO CC(C)CC[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600759116 396939301 /nfs/dbraw/zinc/93/93/01/396939301.db2.gz ZEJAYTJTSDZRCR-YPMHNXCESA-N 1 0 300.359 0.539 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600808229 396947490 /nfs/dbraw/zinc/94/74/90/396947490.db2.gz NBGMSRZPALQWAC-NSHDSACASA-N 1 0 318.333 0.873 20 5 DCBDRO O=C1NCCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591734689 396994182 /nfs/dbraw/zinc/99/41/82/396994182.db2.gz ANIFWCCEYVGILB-YPMHNXCESA-N 1 0 323.349 0.450 20 5 DCBDRO CC[C@H](CN1CCCC1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000591742834 396995735 /nfs/dbraw/zinc/99/57/35/396995735.db2.gz JDIXYZMOKJCMBU-OCCSQVGLSA-N 1 0 311.386 0.616 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C(N)=O)cc1[N+](=O)[O-] ZINC000618620012 397000239 /nfs/dbraw/zinc/00/02/39/397000239.db2.gz VNOYUZFNNWTEKS-MRVPVSSYSA-N 1 0 311.294 0.110 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572060118 397016573 /nfs/dbraw/zinc/01/65/73/397016573.db2.gz RBSPJFQFPNTZEN-DGCLKSJQSA-N 1 0 318.333 0.287 20 5 DCBDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618375034 396973391 /nfs/dbraw/zinc/97/33/91/396973391.db2.gz ZUBZLGBJAKUSGB-LLVKDONJSA-N 1 0 306.322 0.910 20 5 DCBDRO C[NH+](C)CC1CN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000597708856 397071317 /nfs/dbraw/zinc/07/13/17/397071317.db2.gz PZXDNBGIAYJDPS-UHFFFAOYSA-N 1 0 320.349 0.345 20 5 DCBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1cnc([N+](=O)[O-])n1)C2 ZINC000597716986 397073766 /nfs/dbraw/zinc/07/37/66/397073766.db2.gz VHGSTOUONDIYMA-ZDUSSCGKSA-N 1 0 308.342 0.131 20 5 DCBDRO C[C@@H](C(=O)N[C@H](CO)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597653485 397045021 /nfs/dbraw/zinc/04/50/21/397045021.db2.gz JPBSDNCBOYGKCU-ZJUUUORDSA-N 1 0 313.329 0.876 20 5 DCBDRO C[C@H](CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000597995025 397147958 /nfs/dbraw/zinc/14/79/58/397147958.db2.gz DFIFUYJXQUTWMC-LLVKDONJSA-N 1 0 322.365 0.781 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592308508 397149525 /nfs/dbraw/zinc/14/95/25/397149525.db2.gz NMBBFDOYJKANKE-PELKAZGASA-N 1 0 319.321 0.659 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H]([NH3+])C1 ZINC000592363136 397160296 /nfs/dbraw/zinc/16/02/96/397160296.db2.gz BLQLMOASOJXOEF-SECBINFHSA-N 1 0 315.351 0.715 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NCC[NH2+]C2CC2)cc1 ZINC000592367114 397161614 /nfs/dbraw/zinc/16/16/14/397161614.db2.gz UPSMPMJYPPPIPH-UHFFFAOYSA-N 1 0 313.379 0.809 20 5 DCBDRO [NH3+][C@H]1CCC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000592379949 397163668 /nfs/dbraw/zinc/16/36/68/397163668.db2.gz BTBOQOKDFOUBJU-IUCAKERBSA-N 1 0 300.340 0.538 20 5 DCBDRO [NH3+][C@H]1CCC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000592379948 397164059 /nfs/dbraw/zinc/16/40/59/397164059.db2.gz BTBOQOKDFOUBJU-DTWKUNHWSA-N 1 0 300.340 0.538 20 5 DCBDRO CC1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000592386140 397166028 /nfs/dbraw/zinc/16/60/28/397166028.db2.gz VVUVWBWYGXMIDL-UHFFFAOYSA-N 1 0 314.367 0.658 20 5 DCBDRO CNc1ccc(C(=O)N(C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592468148 397184140 /nfs/dbraw/zinc/18/41/40/397184140.db2.gz FCWQWBNBXFYMQA-UHFFFAOYSA-N 1 0 321.381 0.614 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CCC[NH3+] ZINC000592471463 397185751 /nfs/dbraw/zinc/18/57/51/397185751.db2.gz HHOWTKUAPJPNMT-SNVBAGLBSA-N 1 0 308.338 0.520 20 5 DCBDRO C[C@@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592473428 397185927 /nfs/dbraw/zinc/18/59/27/397185927.db2.gz IVPPBUCDVYXBTA-LLVKDONJSA-N 1 0 313.379 0.662 20 5 DCBDRO C[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H]1C[NH3+] ZINC000592471050 397186019 /nfs/dbraw/zinc/18/60/19/397186019.db2.gz LDLNPHAOJBCPDD-GHMZBOCLSA-N 1 0 308.338 0.342 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000592477457 397186820 /nfs/dbraw/zinc/18/68/20/397186820.db2.gz WUELRSCUGUGESU-FZMZJTMJSA-N 1 0 323.349 0.938 20 5 DCBDRO CC(C)[NH2+]C1(CO)CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000573621937 397187800 /nfs/dbraw/zinc/18/78/00/397187800.db2.gz RFPWONOQZCKVNA-UHFFFAOYSA-N 1 0 311.386 0.616 20 5 DCBDRO Cc1cc(NC(=O)NCC(=O)N2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000573665479 397192602 /nfs/dbraw/zinc/19/26/02/397192602.db2.gz BYFAPGOIEGMQIT-UHFFFAOYSA-N 1 0 321.337 0.457 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000592547701 397207816 /nfs/dbraw/zinc/20/78/16/397207816.db2.gz KDQOTIYREJIBAS-ZDUSSCGKSA-N 1 0 321.333 0.501 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2cccc(F)c2)c1 ZINC000573953883 397223253 /nfs/dbraw/zinc/22/32/53/397223253.db2.gz OHXUIPNFNPDLHW-ZDUSSCGKSA-N 1 0 324.312 0.960 20 5 DCBDRO COC(=O)c1ccnc(NCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC000598633485 397266395 /nfs/dbraw/zinc/26/63/95/397266395.db2.gz OYMHHHUNONFNHC-UHFFFAOYSA-N 1 0 324.337 0.645 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[NH2+]C1CC1 ZINC000598661757 397270397 /nfs/dbraw/zinc/27/03/97/397270397.db2.gz IVSXATJDAGIHQX-UHFFFAOYSA-N 1 0 321.337 0.585 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000598680660 397273230 /nfs/dbraw/zinc/27/32/30/397273230.db2.gz DSRKCPGKWXZZDJ-QMMMGPOBSA-N 1 0 310.310 0.395 20 5 DCBDRO [NH3+]CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)F ZINC000383563438 397278037 /nfs/dbraw/zinc/27/80/37/397278037.db2.gz UMEPNAGLGXBHKK-VIFPVBQESA-N 1 0 309.294 0.856 20 5 DCBDRO [NH3+][C@]12CCC[C@@H]1CN(S(=O)(=O)c1cccnc1[N+](=O)[O-])C2 ZINC000598725006 397284608 /nfs/dbraw/zinc/28/46/08/397284608.db2.gz MZTUWCYWLAPEFJ-SKDRFNHKSA-N 1 0 312.351 0.492 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602125908 397310779 /nfs/dbraw/zinc/31/07/79/397310779.db2.gz SYYRSIXKRYHGAQ-ZDUSSCGKSA-N 1 0 307.354 0.924 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000593032376 397314467 /nfs/dbraw/zinc/31/44/67/397314467.db2.gz QBQVKPCEARIFGY-UHFFFAOYSA-N 1 0 323.397 0.655 20 5 DCBDRO C[NH+](C)CCSc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000598604456 397257897 /nfs/dbraw/zinc/25/78/97/397257897.db2.gz RTKCNBMOCDZMEW-UHFFFAOYSA-N 1 0 305.381 0.896 20 5 DCBDRO C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000593188436 397336978 /nfs/dbraw/zinc/33/69/78/397336978.db2.gz HFSFOCBOWUOVDK-IJLUTSLNSA-N 1 0 322.365 0.696 20 5 DCBDRO C[C@@H]1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[NH2+]1 ZINC000599107101 397339260 /nfs/dbraw/zinc/33/92/60/397339260.db2.gz ZAVOXIUKIPYHGT-RKDXNWHRSA-N 1 0 300.340 0.409 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000599111728 397341395 /nfs/dbraw/zinc/34/13/95/397341395.db2.gz QNNSVHJKWUOXGA-UHFFFAOYSA-N 1 0 317.367 0.499 20 5 DCBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000602530980 397432008 /nfs/dbraw/zinc/43/20/08/397432008.db2.gz UEVLCYPDYOQQTJ-LLVKDONJSA-N 1 0 308.338 0.213 20 5 DCBDRO CN1CCN(C(=O)CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602542452 397435031 /nfs/dbraw/zinc/43/50/31/397435031.db2.gz XQNCZCSTQRYTHT-UHFFFAOYSA-N 1 0 320.393 0.891 20 5 DCBDRO Cc1ccc(C[NH2+]CCCN2CCNC(=O)C2)cc1[N+](=O)[O-] ZINC000578205009 397406359 /nfs/dbraw/zinc/40/63/59/397406359.db2.gz FKHSVYWGYFEGCB-UHFFFAOYSA-N 1 0 306.366 0.815 20 5 DCBDRO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602706654 397468329 /nfs/dbraw/zinc/46/83/29/397468329.db2.gz GUZZHMBDANTLIG-STQMWFEESA-N 1 0 314.363 0.539 20 5 DCBDRO Cc1nccn1CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000578618616 397460124 /nfs/dbraw/zinc/46/01/24/397460124.db2.gz JJMGFXLVIDWDTM-ZDUSSCGKSA-N 1 0 308.342 0.337 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000593919549 397480999 /nfs/dbraw/zinc/48/09/99/397480999.db2.gz UJCOTDDXDBIWBD-YUSALJHKSA-N 1 0 323.353 0.819 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000602780106 397483071 /nfs/dbraw/zinc/48/30/71/397483071.db2.gz HGLXQDKFZORLDV-CQSZACIVSA-N 1 0 323.397 0.754 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000602799855 397488956 /nfs/dbraw/zinc/48/89/56/397488956.db2.gz QGCWPRQTIOILRK-GFCCVEGCSA-N 1 0 307.354 0.796 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C(C)(C)CO)CC1 ZINC000602789941 397486112 /nfs/dbraw/zinc/48/61/12/397486112.db2.gz BJYFEERRRIOCFY-UHFFFAOYSA-N 1 0 311.386 0.488 20 5 DCBDRO COc1c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000594359044 397533386 /nfs/dbraw/zinc/53/33/86/397533386.db2.gz HJWJYFHQWSZHGM-RYUDHWBXSA-N 1 0 309.322 0.350 20 5 DCBDRO CCC(C)(C)[NH+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000594388742 397540106 /nfs/dbraw/zinc/54/01/06/397540106.db2.gz AXBPEULHAKRVGG-UHFFFAOYSA-N 1 0 310.358 0.519 20 5 DCBDRO O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000603910096 397627659 /nfs/dbraw/zinc/62/76/59/397627659.db2.gz IZXGTBNILAIVOM-STQMWFEESA-N 1 0 316.361 0.635 20 5 DCBDRO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1C[C@@H](C)O ZINC000114709512 158156175 /nfs/dbraw/zinc/15/61/75/158156175.db2.gz FWYBITBQPLIYHG-ZYHUDNBSSA-N 1 0 311.386 0.918 20 5 DCBDRO COC[C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129631575 158290637 /nfs/dbraw/zinc/29/06/37/158290637.db2.gz PQUDCROFWYTKKM-GWCFXTLKSA-N 1 0 311.338 0.909 20 5 DCBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000133053106 158315432 /nfs/dbraw/zinc/31/54/32/158315432.db2.gz CXHBJURVOWYODN-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000133060328 158316234 /nfs/dbraw/zinc/31/62/34/158316234.db2.gz TVWVLXLLAGXGIH-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO O=C([C@@H]1CCC[NH2+]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194282232 158594772 /nfs/dbraw/zinc/59/47/72/158594772.db2.gz JNBLVKRHGYHPRZ-AWEZNQCLSA-N 1 0 304.350 0.995 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330611648 159203012 /nfs/dbraw/zinc/20/30/12/159203012.db2.gz WCHIKRZUNRYKSG-UHFFFAOYSA-N 1 0 311.342 0.467 20 5 DCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000408148296 160047607 /nfs/dbraw/zinc/04/76/07/160047607.db2.gz AVENSPVGRDIPPT-ZDUSSCGKSA-N 1 0 319.365 0.733 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N[C@H]1CC[NH2+]C1 ZINC000126667665 286973169 /nfs/dbraw/zinc/97/31/69/286973169.db2.gz JMZKAOHAFIRNAE-JTQLQIEISA-N 1 0 307.306 0.387 20 5 DCBDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151300249 287032737 /nfs/dbraw/zinc/03/27/37/287032737.db2.gz XLEDQQPWHUEUQM-LLVKDONJSA-N 1 0 310.358 0.432 20 5 DCBDRO Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1[N+](=O)[O-] ZINC000370731043 287224199 /nfs/dbraw/zinc/22/41/99/287224199.db2.gz SNIYYJQZILMNSP-UWVGGRQHSA-N 1 0 317.342 0.882 20 5 DCBDRO C[C@H](C[NH3+])N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420442927 287297767 /nfs/dbraw/zinc/29/77/67/287297767.db2.gz FNEUGDYKXOOWCF-SNVBAGLBSA-N 1 0 301.368 0.746 20 5 DCBDRO CNC(=O)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000342770014 415290991 /nfs/dbraw/zinc/29/09/91/415290991.db2.gz RTHVIZHUTANYTJ-UHFFFAOYSA-N 1 0 317.305 0.646 20 5 DCBDRO C[N@H+](CCNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CC1 ZINC000273470728 415323508 /nfs/dbraw/zinc/32/35/08/415323508.db2.gz KBSBXSLCEDZUML-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000353216266 415479776 /nfs/dbraw/zinc/47/97/76/415479776.db2.gz KHHPTLHBVIKIQF-BDAKNGLRSA-N 1 0 317.371 0.169 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2(CCO)CCCCC2)c1 ZINC000353652766 415617974 /nfs/dbraw/zinc/61/79/74/415617974.db2.gz GLTCQPUADZNZQQ-ZDUSSCGKSA-N 1 0 312.370 0.827 20 5 DCBDRO C[C@@H](C[NH+](C)C)Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000286584486 415632974 /nfs/dbraw/zinc/63/29/74/415632974.db2.gz YORFQCXVJSSHPP-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO COC[C@@H]([NH3+])C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000354068935 415743933 /nfs/dbraw/zinc/74/39/33/415743933.db2.gz VDVMKWCDOCXYKG-LLVKDONJSA-N 1 0 310.354 0.795 20 5 DCBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000297708814 415969701 /nfs/dbraw/zinc/96/97/01/415969701.db2.gz AUUFCRWNUAZSGY-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301515647 416084447 /nfs/dbraw/zinc/08/44/47/416084447.db2.gz BSUAGMNTFWVDNE-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO C[NH+](C)CCO[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357539440 416093469 /nfs/dbraw/zinc/09/34/69/416093469.db2.gz RXGZWXGTNLDLOQ-SNVBAGLBSA-N 1 0 323.353 0.246 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](CN3CCOCC3)C2)n1 ZINC000176263372 416122610 /nfs/dbraw/zinc/12/26/10/416122610.db2.gz URCYLYHQKIJZAL-ZDUSSCGKSA-N 1 0 309.370 0.445 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358045326 416177220 /nfs/dbraw/zinc/17/72/20/416177220.db2.gz JEBGLCQMUKZNBB-CQSZACIVSA-N 1 0 309.322 0.400 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000179379428 416186188 /nfs/dbraw/zinc/18/61/88/416186188.db2.gz MYTUBQILMGTUOZ-UHFFFAOYSA-N 1 0 317.367 0.418 20 5 DCBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H](C[NH3+])C1 ZINC000358129029 416198163 /nfs/dbraw/zinc/19/81/63/416198163.db2.gz UIJOBBFAEHJHQU-WDEREUQCSA-N 1 0 308.338 0.581 20 5 DCBDRO [NH3+]C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000358144623 416200610 /nfs/dbraw/zinc/20/06/10/416200610.db2.gz DLEZVRAFMCJCPY-ZDUSSCGKSA-N 1 0 320.349 0.143 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000183456755 416242762 /nfs/dbraw/zinc/24/27/62/416242762.db2.gz FCQXVZBOIQGYMI-VIFPVBQESA-N 1 0 305.338 0.786 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000342046826 416272844 /nfs/dbraw/zinc/27/28/44/416272844.db2.gz KOIJAQILIDXZOS-MCIONIFRSA-N 1 0 310.354 0.796 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000262040630 416335800 /nfs/dbraw/zinc/33/58/00/416335800.db2.gz RVCQFVFRDDIYFX-QWRGUYRKSA-N 1 0 324.385 0.695 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000415495466 416345170 /nfs/dbraw/zinc/34/51/70/416345170.db2.gz FPEQTGONLMHDLN-LBPRGKRZSA-N 1 0 307.354 0.928 20 5 DCBDRO O=C(C[NH2+]C[C@H]1CCCO1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000237929851 416329223 /nfs/dbraw/zinc/32/92/23/416329223.db2.gz DLZARSPFDMBQNP-CQSZACIVSA-N 1 0 322.365 0.892 20 5 DCBDRO C[NH+](C)[C@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1O ZINC000359965990 416367277 /nfs/dbraw/zinc/36/72/77/416367277.db2.gz ILDOJNMEIMUTJS-RYUDHWBXSA-N 1 0 303.322 0.649 20 5 DCBDRO CC(C)[N@@H+]1CCCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000583151682 416459932 /nfs/dbraw/zinc/45/99/32/416459932.db2.gz ICDKBYDPTNUODC-UHFFFAOYSA-N 1 0 307.354 1.128 20 5 DCBDRO Cn1ccnc1[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068896 416536887 /nfs/dbraw/zinc/53/68/87/416536887.db2.gz PZSHCYJOAORYQQ-YPMHNXCESA-N 1 0 320.353 0.375 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000424023714 416606515 /nfs/dbraw/zinc/60/65/15/416606515.db2.gz QGSATDQTMUMAJK-GFCCVEGCSA-N 1 0 323.349 0.940 20 5 DCBDRO CC(C)Oc1nc(NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000599199161 416609454 /nfs/dbraw/zinc/60/94/54/416609454.db2.gz FTVWVRMGFOUWTP-NSHDSACASA-N 1 0 310.354 1.256 20 5 DCBDRO C[C@@]([NH3+])(C(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423911512 416587254 /nfs/dbraw/zinc/58/72/54/416587254.db2.gz VOEXRMYSEVORRX-AWEZNQCLSA-N 1 0 303.322 0.782 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000423915934 416590172 /nfs/dbraw/zinc/59/01/72/416590172.db2.gz YPDNZUXMXFXDQL-AWEZNQCLSA-N 1 0 315.333 0.622 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC000425061311 416681448 /nfs/dbraw/zinc/68/14/48/416681448.db2.gz YREYPVDBNTZATP-WCQYABFASA-N 1 0 320.349 0.309 20 5 DCBDRO C[C@@H]1CC2(CN1C(=O)c1c([N+](=O)[O-])cnn1C)CC[NH2+]CC2 ZINC000424249661 416633202 /nfs/dbraw/zinc/63/32/02/416633202.db2.gz YOPMSNBXKVKQKR-SNVBAGLBSA-N 1 0 307.354 0.933 20 5 DCBDRO CNc1ccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000545156092 416664627 /nfs/dbraw/zinc/66/46/27/416664627.db2.gz GYXSAAANMHERJF-AWEZNQCLSA-N 1 0 308.338 0.433 20 5 DCBDRO CC[N@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000515870283 416711347 /nfs/dbraw/zinc/71/13/47/416711347.db2.gz VGWNNGDOFMRQOQ-NSHDSACASA-N 1 0 322.325 0.262 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCc2cn[nH]c2)c1 ZINC000517125771 416778470 /nfs/dbraw/zinc/77/84/70/416778470.db2.gz ATXACWSJCUTHCA-ZDUSSCGKSA-N 1 0 306.322 0.890 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ccc(F)cc2)c1 ZINC000517834156 416825723 /nfs/dbraw/zinc/82/57/23/416825723.db2.gz WTGOZADUBWKVCG-CYBMUJFWSA-N 1 0 324.312 0.960 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[NH2+]CC1 ZINC000428464585 416898653 /nfs/dbraw/zinc/89/86/53/416898653.db2.gz XTIBJTNOHVLQFR-NSHDSACASA-N 1 0 324.385 0.649 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000428659396 416915953 /nfs/dbraw/zinc/91/59/53/416915953.db2.gz VMVMQPVNQKFVQI-UHFFFAOYSA-N 1 0 318.333 0.976 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[C@@H](C)[NH3+] ZINC000429041042 416942799 /nfs/dbraw/zinc/94/27/99/416942799.db2.gz NYHXADYEXVWTHL-SCZZXKLOSA-N 1 0 312.374 0.681 20 5 DCBDRO CCc1nn(C)c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000373177956 416949724 /nfs/dbraw/zinc/94/97/24/416949724.db2.gz RNPCSMMWTBIKQE-STQMWFEESA-N 1 0 323.397 0.926 20 5 DCBDRO COc1cc(S(=O)(=O)N2C[C@H](C)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000447240712 416973056 /nfs/dbraw/zinc/97/30/56/416973056.db2.gz SKYMHNWTNKVQFO-WCBMZHEXSA-N 1 0 315.351 0.571 20 5 DCBDRO C[C@@H]([NH3+])c1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000429490985 416979189 /nfs/dbraw/zinc/97/91/89/416979189.db2.gz KQDFJYBKMYVJNC-SECBINFHSA-N 1 0 304.310 0.522 20 5 DCBDRO CN(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526699 417007556 /nfs/dbraw/zinc/00/75/56/417007556.db2.gz DUYCFPIPOMWGMH-UPJWGTAASA-N 1 0 311.386 0.787 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000429979307 417008806 /nfs/dbraw/zinc/00/88/06/417008806.db2.gz YQFYCNRRCJXSBP-LBPRGKRZSA-N 1 0 309.322 0.598 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@H](CO)[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910053 417040600 /nfs/dbraw/zinc/04/06/00/417040600.db2.gz CLWBSWCWRXRQMA-DGCLKSJQSA-N 1 0 309.322 0.323 20 5 DCBDRO [NH3+][C@@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430613559 417048845 /nfs/dbraw/zinc/04/88/45/417048845.db2.gz WSCOWOMDKUUDSE-MRVPVSSYSA-N 1 0 308.294 0.295 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000449702200 417168208 /nfs/dbraw/zinc/16/82/08/417168208.db2.gz CWXOKBUYLRELFQ-LLVKDONJSA-N 1 0 309.322 0.712 20 5 DCBDRO CN(C1CC[NH2+]CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000569724350 417290839 /nfs/dbraw/zinc/29/08/39/417290839.db2.gz VELCHYVDAJKGKY-UHFFFAOYSA-N 1 0 300.340 0.362 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415320307 417365883 /nfs/dbraw/zinc/36/58/83/417365883.db2.gz BDRDBVDLPJYFSS-JTQLQIEISA-N 1 0 306.322 0.628 20 5 DCBDRO COC[C@H](O)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575060054 417506590 /nfs/dbraw/zinc/50/65/90/417506590.db2.gz VFIKGMBZMSFWDL-LLVKDONJSA-N 1 0 311.338 0.910 20 5 DCBDRO CC(=O)NCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576224948 417591476 /nfs/dbraw/zinc/59/14/76/417591476.db2.gz MCDLFXJREXHAAN-CYBMUJFWSA-N 1 0 311.338 0.402 20 5 DCBDRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000530880834 417594644 /nfs/dbraw/zinc/59/46/44/417594644.db2.gz LUCWRHWIKOBHLR-UHFFFAOYSA-N 1 0 324.381 0.866 20 5 DCBDRO CNc1nc(C(=O)N[C@H]2CC[N@H+](CCOC)C2)ccc1[N+](=O)[O-] ZINC000455510196 417607761 /nfs/dbraw/zinc/60/77/61/417607761.db2.gz AHCNTEXKNMXLBD-JTQLQIEISA-N 1 0 323.353 0.482 20 5 DCBDRO CNc1nc(C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455995861 417621058 /nfs/dbraw/zinc/62/10/58/417621058.db2.gz NFDUSARQYAVESX-ZDUSSCGKSA-N 1 0 311.342 0.074 20 5 DCBDRO CC[NH+]1CCN(CC(C)(C)NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000456876863 417667927 /nfs/dbraw/zinc/66/79/27/417667927.db2.gz HASGQHZNXOIPHQ-UHFFFAOYSA-N 1 0 324.385 0.464 20 5 DCBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC000532399876 417677733 /nfs/dbraw/zinc/67/77/33/417677733.db2.gz ANQRXPQVANAYFW-CYBMUJFWSA-N 1 0 322.365 0.812 20 5 DCBDRO C[C@H](c1nnnn1C)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000189677788 261132699 /nfs/dbraw/zinc/13/26/99/261132699.db2.gz BFNVSQSAFNWSPB-ZJUUUORDSA-N 1 0 318.341 0.761 20 5 DCBDRO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000237895673 261163649 /nfs/dbraw/zinc/16/36/49/261163649.db2.gz SJXYQHXDTAXUKI-GFCCVEGCSA-N 1 0 320.349 0.522 20 5 DCBDRO C[NH+](C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1O ZINC000359516763 261752175 /nfs/dbraw/zinc/75/21/75/261752175.db2.gz MXJPIOODMFUBIA-VXGBXAGGSA-N 1 0 312.301 0.873 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOCC23CCCC3)c1 ZINC000362419565 262032749 /nfs/dbraw/zinc/03/27/49/262032749.db2.gz TVHICQFMBHPWKK-CYBMUJFWSA-N 1 0 310.354 0.797 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000417953837 262265743 /nfs/dbraw/zinc/26/57/43/262265743.db2.gz ZPAASTMCFACZIV-ZDUSSCGKSA-N 1 0 308.338 0.506 20 5 DCBDRO Cc1c(CNC(=O)NC[C@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000418081344 262269295 /nfs/dbraw/zinc/26/92/95/262269295.db2.gz NTDGVQBBJFQVAD-GFCCVEGCSA-N 1 0 308.338 0.691 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418876324 262295026 /nfs/dbraw/zinc/29/50/26/262295026.db2.gz YQAHDJHVRJKSIL-GFCCVEGCSA-N 1 0 320.349 0.203 20 5 DCBDRO CC(C)([NH3+])CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418923753 262298832 /nfs/dbraw/zinc/29/88/32/262298832.db2.gz NTNKZJMUICNJGU-UHFFFAOYSA-N 1 0 308.338 0.107 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418926222 262299190 /nfs/dbraw/zinc/29/91/90/262299190.db2.gz UDKFYFWBIGFNQF-NSHDSACASA-N 1 0 320.349 0.074 20 5 DCBDRO Cc1cc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000420471946 262375053 /nfs/dbraw/zinc/37/50/53/262375053.db2.gz BCWHYUKAUUFJQI-JTQLQIEISA-N 1 0 315.351 0.170 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420598979 262377922 /nfs/dbraw/zinc/37/79/22/262377922.db2.gz KLARDIIOGPJADF-LLVKDONJSA-N 1 0 321.381 0.742 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000356237715 271036730 /nfs/dbraw/zinc/03/67/30/271036730.db2.gz VCDBMFRGCXQZAP-AWEZNQCLSA-N 1 0 307.354 0.886 20 5 DCBDRO CO[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N)[C@H](C[NH3+])C1 ZINC000359230023 271108178 /nfs/dbraw/zinc/10/81/78/271108178.db2.gz OYUIAHORMAPQKR-UWVGGRQHSA-N 1 0 308.338 0.755 20 5 DCBDRO CNc1c(C(=O)NC[C@@H]2CN3CCN2CC3)cccc1[N+](=O)[O-] ZINC000360943875 271168064 /nfs/dbraw/zinc/16/80/64/271168064.db2.gz KIHOFPNIMREXSH-LLVKDONJSA-N 1 0 319.365 0.366 20 5 DCBDRO Cc1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c([N+](=O)[O-])c1 ZINC000420446615 271371641 /nfs/dbraw/zinc/37/16/41/271371641.db2.gz HRNVPAVFDSMQMY-PWSUYJOCSA-N 1 0 311.363 0.886 20 5 DCBDRO C[N@@H+]1CCC[C@H](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000458556825 271963061 /nfs/dbraw/zinc/96/30/61/271963061.db2.gz KPCBQRFPPOYIFN-GFCCVEGCSA-N 1 0 324.385 0.822 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493396880 272186169 /nfs/dbraw/zinc/18/61/69/272186169.db2.gz YXKOHJZWIIKWBM-DXTPNHAXSA-N 1 0 322.340 0.767 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494890479 272233393 /nfs/dbraw/zinc/23/33/93/272233393.db2.gz NNJOJZDJWIPOFS-VXGBXAGGSA-N 1 0 307.354 0.700 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000520412534 272518290 /nfs/dbraw/zinc/51/82/90/272518290.db2.gz SDZFECSKCYUWOB-UHFFFAOYSA-N 1 0 310.354 0.774 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000539750718 287893978 /nfs/dbraw/zinc/89/39/78/287893978.db2.gz ZDKLFOKVYJMAFM-UHFFFAOYSA-N 1 0 311.338 0.668 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000565705362 288871837 /nfs/dbraw/zinc/87/18/37/288871837.db2.gz KWAUNCSUNHYGDD-TXEJJXNPSA-N 1 0 320.349 0.834 20 5 DCBDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)n1cc([N+](=O)[O-])cn1)C1CC1 ZINC000102489551 289350917 /nfs/dbraw/zinc/35/09/17/289350917.db2.gz VAWOAMZZGCJAHV-GFCCVEGCSA-N 1 0 309.370 0.983 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424081161 302645189 /nfs/dbraw/zinc/64/51/89/302645189.db2.gz WINKAOQTFOYPER-SCVCMEIPSA-N 1 0 309.370 0.932 20 5 DCBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000582241842 336391198 /nfs/dbraw/zinc/39/11/98/336391198.db2.gz LZOGUJNHHYJIAD-GHMZBOCLSA-N 1 0 322.365 0.496 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000583154820 337247387 /nfs/dbraw/zinc/24/73/87/337247387.db2.gz IIPXXDNJZNXGPC-NXEZZACHSA-N 1 0 310.741 0.996 20 5 DCBDRO COc1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000397093312 337249393 /nfs/dbraw/zinc/24/93/93/337249393.db2.gz XVJOKOJCBJXESL-UHFFFAOYSA-N 1 0 309.322 0.529 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)CCC[NH3+] ZINC000583823882 337337206 /nfs/dbraw/zinc/33/72/06/337337206.db2.gz KZQRQOSVTDQKEQ-UHFFFAOYSA-N 1 0 324.337 0.027 20 5 DCBDRO CN(CCC[N@H+](C)CC1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570196948 1161487462 /nfs/dbraw/zinc/48/74/62/1161487462.db2.gz RXYCKSFEHJKFHY-ZIAGYGMSSA-N 1 0 313.398 0.859 20 5 DCBDRO CS[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)C[C@H]1[NH+](C)C ZINC000332655674 534008460 /nfs/dbraw/zinc/00/84/60/534008460.db2.gz DVCGDJDIUQPDBB-NXEZZACHSA-N 1 0 313.383 0.446 20 5 DCBDRO CC(C)([NH3+])CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000160070598 519301284 /nfs/dbraw/zinc/30/12/84/519301284.db2.gz NGNCPRXAGYFXIG-UHFFFAOYSA-N 1 0 304.310 0.643 20 5 DCBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000270934110 520643978 /nfs/dbraw/zinc/64/39/78/520643978.db2.gz UQCLAIYQDLQBSP-UHFFFAOYSA-N 1 0 313.358 0.748 20 5 DCBDRO COCC1(CNC(=O)c2cc([N+](=O)[O-])ccc2N)CC[NH2+]CC1 ZINC000262024274 522896420 /nfs/dbraw/zinc/89/64/20/522896420.db2.gz AUUMKCJFQVLSKR-UHFFFAOYSA-N 1 0 322.365 0.923 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccccc1 ZINC000266524042 523022437 /nfs/dbraw/zinc/02/24/37/523022437.db2.gz JVRVUVCOVYRQGU-HUUCEWRRSA-N 1 0 320.349 0.818 20 5 DCBDRO Cc1cc(C)c(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000366308703 524323022 /nfs/dbraw/zinc/32/30/22/524323022.db2.gz NFPQMCHAJISKSG-IWIIMEHWSA-N 1 0 311.363 0.708 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000190886838 524967464 /nfs/dbraw/zinc/96/74/64/524967464.db2.gz VLBLBKMWCPGFSO-FRRDWIJNSA-N 1 0 310.350 0.895 20 5 DCBDRO Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC[NH3+])ccc1[N+](=O)[O-] ZINC000158713184 526247672 /nfs/dbraw/zinc/24/76/72/526247672.db2.gz QRVXLYUQXOEBDS-CYBMUJFWSA-N 1 0 320.349 0.583 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262238459 526932488 /nfs/dbraw/zinc/93/24/88/526932488.db2.gz RFEDFFGSMDFTBS-SNVBAGLBSA-N 1 0 301.306 0.872 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000185162052 527090461 /nfs/dbraw/zinc/09/04/61/527090461.db2.gz UXYJNXJCLAYBDE-IJLUTSLNSA-N 1 0 307.354 0.686 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000237804704 527204743 /nfs/dbraw/zinc/20/47/43/527204743.db2.gz GGIUWTYOBZCSLQ-GFCCVEGCSA-N 1 0 316.321 0.643 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000161565293 527809509 /nfs/dbraw/zinc/80/95/09/527809509.db2.gz ILZURHOZFZCKBU-LBPRGKRZSA-N 1 0 324.385 0.775 20 5 DCBDRO CNc1c(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000336871733 546101303 /nfs/dbraw/zinc/10/13/03/546101303.db2.gz HPJGCXRHFPHCCX-LLVKDONJSA-N 1 0 321.381 0.612 20 5 DCBDRO C[NH+](C)C(C)(C)CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821579934 599282268 /nfs/dbraw/zinc/28/22/68/599282268.db2.gz SNFLYLVKWKIEJT-UHFFFAOYSA-N 1 0 306.330 0.922 20 5 DCBDRO C[NH+](C)[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736764309 598601864 /nfs/dbraw/zinc/60/18/64/598601864.db2.gz OPMNXSAAPWHKAK-QMMMGPOBSA-N 1 0 304.314 0.310 20 5 DCBDRO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736764982 598602095 /nfs/dbraw/zinc/60/20/95/598602095.db2.gz SOBKFMZLCOTJBY-JTQLQIEISA-N 1 0 303.326 0.915 20 5 DCBDRO CC[NH+](CC)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821189575 607160739 /nfs/dbraw/zinc/16/07/39/607160739.db2.gz OZHOWMDSLRWUCN-UHFFFAOYSA-N 1 0 306.330 0.924 20 5 DCBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000823619983 607167714 /nfs/dbraw/zinc/16/77/14/607167714.db2.gz FAKUDBUJWVUZET-SECBINFHSA-N 1 0 316.325 0.454 20 5 DCBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@H]1C ZINC000825465729 607821535 /nfs/dbraw/zinc/82/15/35/607821535.db2.gz QIBXQHQOAHJTHV-SECBINFHSA-N 1 0 318.341 0.700 20 5 DCBDRO Cc1cncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001022063941 658816089 /nfs/dbraw/zinc/81/60/89/658816089.db2.gz QFEJWCYJKPIBRT-XJFOESAGSA-N 1 0 304.350 0.792 20 5 DCBDRO Cc1nc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001022064362 658822216 /nfs/dbraw/zinc/82/22/16/658822216.db2.gz DTGRVBSLBFZUQO-RBLKWDMZSA-N 1 0 310.379 0.854 20 5 DCBDRO Cc1noc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775265 659557163 /nfs/dbraw/zinc/55/71/63/659557163.db2.gz JNQYMHPRDYLOKX-LPUQOGTASA-N 1 0 320.349 0.503 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000893753706 661404663 /nfs/dbraw/zinc/40/46/63/661404663.db2.gz SSYDRKVWFBJFSF-RISCZKNCSA-N 1 0 322.369 0.384 20 5 DCBDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000178716966 661501472 /nfs/dbraw/zinc/50/14/72/661501472.db2.gz ONFKYTKXDKBPCM-LLVKDONJSA-N 1 0 316.321 0.657 20 5 DCBDRO CC(C)[NH+]1CCC(NC(=O)COC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000840670144 661736724 /nfs/dbraw/zinc/73/67/24/661736724.db2.gz BMYQVGIVKZCXST-VXGBXAGGSA-N 1 0 313.354 0.184 20 5 DCBDRO CCOc1cc(C(=O)NCC2C[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000262019830 661963501 /nfs/dbraw/zinc/96/35/01/661963501.db2.gz LVTSEFRYOXYCRS-UHFFFAOYSA-N 1 0 309.322 0.951 20 5 DCBDRO O=C(NCC1C[NH2+]C1)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000262062634 662008791 /nfs/dbraw/zinc/00/87/91/662008791.db2.gz ZIJIUEREUPDYKQ-UHFFFAOYSA-N 1 0 301.306 0.730 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896580783 662295639 /nfs/dbraw/zinc/29/56/39/662295639.db2.gz NJEXUALYNYZXST-SMDDNHRTSA-N 1 0 306.366 0.959 20 5 DCBDRO CN1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC[N@H+](C)CC1 ZINC000897093095 662390429 /nfs/dbraw/zinc/39/04/29/662390429.db2.gz AJIFLHSEFJUKBL-UHFFFAOYSA-N 1 0 321.381 0.377 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000899734104 663187513 /nfs/dbraw/zinc/18/75/13/663187513.db2.gz VBFZCXBPASRCOH-UHFFFAOYSA-N 1 0 301.730 0.902 20 5 DCBDRO O=C(NCC1CC[NH+](CCn2cccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001398406 666041623 /nfs/dbraw/zinc/04/16/23/666041623.db2.gz DIFRMKIOLHEWKT-ZIAGYGMSSA-N 1 0 321.381 0.377 20 5 DCBDRO CCc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002782616 666221010 /nfs/dbraw/zinc/22/10/10/666221010.db2.gz MLJIVZQXMSJEJH-TZMCWYRMSA-N 1 0 322.365 0.983 20 5 DCBDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000922536162 666477731 /nfs/dbraw/zinc/47/77/31/666477731.db2.gz QSMMQFCCXBEFHF-LBPRGKRZSA-N 1 0 301.368 0.439 20 5 DCBDRO [NH3+]C1(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000230052284 666596200 /nfs/dbraw/zinc/59/62/00/666596200.db2.gz ZKSGGGZZUZDIEV-UHFFFAOYSA-N 1 0 303.315 0.894 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000861541498 666941328 /nfs/dbraw/zinc/94/13/28/666941328.db2.gz CVJSOGKCMUVUMD-ZETCQYMHSA-N 1 0 314.729 0.992 20 5 DCBDRO CCOC(=O)C1=CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000863574951 667159501 /nfs/dbraw/zinc/15/95/01/667159501.db2.gz DKBJOIHYKNJZBV-WCQYABFASA-N 1 0 324.337 0.394 20 5 DCBDRO O=C1COC[C@@]2(C[NH2+]Cc3ccccc3[N+](=O)[O-])COCCN12 ZINC000865799545 667348237 /nfs/dbraw/zinc/34/82/37/667348237.db2.gz BRCGZDNRCXCYLW-OAHLLOKOSA-N 1 0 321.333 0.312 20 5 DCBDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)C1 ZINC000839682991 668134068 /nfs/dbraw/zinc/13/40/68/668134068.db2.gz JMOQLTFDVOXMFK-AAVRWANBSA-N 1 0 313.398 0.905 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000924977298 668257309 /nfs/dbraw/zinc/25/73/09/668257309.db2.gz QBRUQAWQCHMSCU-GHMZBOCLSA-N 1 0 311.313 0.458 20 5 DCBDRO Cc1cc(F)cc(C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2C)c1[N+](=O)[O-] ZINC000924992193 668261512 /nfs/dbraw/zinc/26/15/12/668261512.db2.gz ZIVWNBDHBPRISB-WDEREUQCSA-N 1 0 311.313 0.837 20 5 DCBDRO O=[N+]([O-])c1c(N2CCC([NH2+]CCO)CC2)nc2ccccn21 ZINC000762184027 668350281 /nfs/dbraw/zinc/35/02/81/668350281.db2.gz JHKKSERRPBMQEK-UHFFFAOYSA-N 1 0 305.338 0.793 20 5 DCBDRO C[C@@H]1CN(Cn2nccc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763336878 668405584 /nfs/dbraw/zinc/40/55/84/668405584.db2.gz NWSPDZWGMFFKNK-ZIAGYGMSSA-N 1 0 322.413 0.707 20 5 DCBDRO NC(=O)NC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776593588 668878807 /nfs/dbraw/zinc/87/88/07/668878807.db2.gz YGOKDBWFOYTJSK-CYBMUJFWSA-N 1 0 308.338 0.761 20 5 DCBDRO CCS(=O)(=O)N1CCC([C@H](C)[N@H+](C)CC[N+](=O)[O-])CC1 ZINC000930496245 669030319 /nfs/dbraw/zinc/03/03/19/669030319.db2.gz ARMSCTQFBHBUEJ-NSHDSACASA-N 1 0 307.416 0.645 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)n1 ZINC000879930877 669127135 /nfs/dbraw/zinc/12/71/35/669127135.db2.gz ILJNAHFTNYNVJU-MNOVXSKESA-N 1 0 314.367 0.158 20 5 DCBDRO CC(=O)N1C[C@@H]2C[N@@H+](CCn3c(C)ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000880314041 669191138 /nfs/dbraw/zinc/19/11/38/669191138.db2.gz UKOCGGHOAZUVBJ-BETUJISGSA-N 1 0 307.354 0.510 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3csc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000785299488 669246729 /nfs/dbraw/zinc/24/67/29/669246729.db2.gz NGNKQMJKXVRRCP-DTORHVGOSA-N 1 0 317.392 0.838 20 5 DCBDRO CC(C)[C@@H](C(=O)OCCn1cc([N+](=O)[O-])ccc1=O)[NH+](C)C ZINC000803496684 670251218 /nfs/dbraw/zinc/25/12/18/670251218.db2.gz FMUHAPCQBCQNEU-ZDUSSCGKSA-N 1 0 311.338 0.886 20 5 DCBDRO COC(=O)c1cc(C)nc(NC[C@@H](O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000804343655 670290986 /nfs/dbraw/zinc/29/09/86/670290986.db2.gz ABAUZFNHNBTJRE-SECBINFHSA-N 1 0 312.326 0.419 20 5 DCBDRO CNC(=O)[C@@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000808048398 670387294 /nfs/dbraw/zinc/38/72/94/670387294.db2.gz SCLQYPBQKFYALV-ZDUSSCGKSA-N 1 0 304.306 0.392 20 5 DCBDRO CN(C[C@H](O)C[NH3+])C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765222 670945643 /nfs/dbraw/zinc/94/56/43/670945643.db2.gz CCBWAKXJPMCQJM-SECBINFHSA-N 1 0 319.264 0.344 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000850835814 670946809 /nfs/dbraw/zinc/94/68/09/670946809.db2.gz AHEXKFNEYUFIAI-QMMMGPOBSA-N 1 0 310.285 0.459 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000850865554 670951167 /nfs/dbraw/zinc/95/11/67/670951167.db2.gz ZZLHJWUAQDJUPK-ZETCQYMHSA-N 1 0 314.729 0.911 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCc2nnc3n2CCC3)cc1 ZINC000818966133 671080774 /nfs/dbraw/zinc/08/07/74/671080774.db2.gz MUQBEWHJSLSODJ-CYBMUJFWSA-N 1 0 317.349 0.998 20 5 DCBDRO NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819157132 671099363 /nfs/dbraw/zinc/09/93/63/671099363.db2.gz UKSAWJZWQQKQJB-AVGNSLFASA-N 1 0 309.322 0.251 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)c1 ZINC000819172502 671100219 /nfs/dbraw/zinc/10/02/19/671100219.db2.gz YRQMJOAFYIJPFV-CHWSQXEVSA-N 1 0 314.363 0.795 20 5 DCBDRO O=C(NCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccn[nH]1 ZINC000819217149 671102907 /nfs/dbraw/zinc/10/29/07/671102907.db2.gz QTPGKHZUAJDLRW-CYBMUJFWSA-N 1 0 319.321 0.371 20 5 DCBDRO C[NH2+]CCNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841937049 671967555 /nfs/dbraw/zinc/96/75/55/671967555.db2.gz RPPBNERREQVHPI-UHFFFAOYSA-N 1 0 307.354 0.646 20 5 DCBDRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000843090288 672060378 /nfs/dbraw/zinc/06/03/78/672060378.db2.gz VPQJJKJHIRIHGL-VXGBXAGGSA-N 1 0 310.310 0.377 20 5 DCBDRO O=C1[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1CCO ZINC000843103956 672061716 /nfs/dbraw/zinc/06/17/16/672061716.db2.gz FHPACVRZYGFWKK-ZIAGYGMSSA-N 1 0 323.349 0.201 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001571094541 1162672891 /nfs/dbraw/zinc/67/28/91/1162672891.db2.gz BTUOXGBBYPOYHH-HAQNSBGRSA-N 1 0 320.349 0.455 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(OS(=O)(=O)C[C@@H]2CC[NH2+]C2)c1 ZINC001574034154 1163627142 /nfs/dbraw/zinc/62/71/42/1163627142.db2.gz ZIRRHOBYTASMGD-SECBINFHSA-N 1 0 316.335 0.922 20 5 DCBDRO CC(C)(C(=O)NC[C@]1(C)C[NH2+]CCO1)n1cc([N+](=O)[O-])cn1 ZINC001576508320 1164368585 /nfs/dbraw/zinc/36/85/85/1164368585.db2.gz PYFAZQPEATVTAW-ZDUSSCGKSA-N 1 0 311.342 0.021 20 5 DCBDRO CCc1ccc(S(=O)(=O)N2CC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001578262247 1164965397 /nfs/dbraw/zinc/96/53/97/1164965397.db2.gz GLQFNFWALWKIRF-UHFFFAOYSA-N 1 0 311.363 0.751 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCOC3(CC[NH2+]CC3)C2)n1 ZINC001579642598 1165370698 /nfs/dbraw/zinc/37/06/98/1165370698.db2.gz MHFKMXXBVBUAKN-UHFFFAOYSA-N 1 0 320.349 0.893 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC2(C1)CC[NH2+]C2 ZINC001579776775 1165392760 /nfs/dbraw/zinc/39/27/60/1165392760.db2.gz QYRFFBYXVHECOS-UHFFFAOYSA-N 1 0 311.363 0.887 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001579877670 1165419697 /nfs/dbraw/zinc/41/96/97/1165419697.db2.gz XQKORGKXZJYMQP-BXUZGUMPSA-N 1 0 307.354 0.830 20 5 DCBDRO [NH3+][C@@]1(CO)CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001580155096 1165522107 /nfs/dbraw/zinc/52/21/07/1165522107.db2.gz PVHPDDLJGXQICU-HNNXBMFYSA-N 1 0 322.365 0.709 20 5 DCBDRO [NH3+][C@H]1CC=C(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC001580170955 1165525486 /nfs/dbraw/zinc/52/54/86/1165525486.db2.gz CSTUTCUGIXDYON-LBPRGKRZSA-N 1 0 317.349 0.686 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)C1 ZINC001580198458 1165535348 /nfs/dbraw/zinc/53/53/48/1165535348.db2.gz HGVFINWYKUTGCB-UMNHJUIQSA-N 1 0 323.353 0.676 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC001580579057 1165643808 /nfs/dbraw/zinc/64/38/08/1165643808.db2.gz ULDBUEVMSPLRQC-UHFFFAOYSA-N 1 0 314.301 0.998 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC001585150924 1166406650 /nfs/dbraw/zinc/40/66/50/1166406650.db2.gz ZUQPTOGJUBTVHV-NSHDSACASA-N 1 0 324.385 0.177 20 5 DCBDRO C[C@@H](CCO)[N@H+](C)Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589835577 1166694927 /nfs/dbraw/zinc/69/49/27/1166694927.db2.gz WZXFWXKNUSIVAV-VIFPVBQESA-N 1 0 306.326 0.978 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC001593481111 1167867379 /nfs/dbraw/zinc/86/73/79/1167867379.db2.gz GXGJGKGZHRVRFN-LKFCYVNXSA-N 1 0 316.321 0.732 20 5 DCBDRO COc1cccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001597699660 1168011795 /nfs/dbraw/zinc/01/17/95/1168011795.db2.gz FNGPFWIXCOKCLN-SNVBAGLBSA-N 1 0 321.333 0.806 20 5 DCBDRO C[C@@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001609174214 1170843662 /nfs/dbraw/zinc/84/36/62/1170843662.db2.gz SLAKUMBLTLPOKN-PELKAZGASA-N 1 0 304.310 0.588 20 5 DCBDRO C[N@H+]1C[C@H]2CN(c3ccc(-c4nn[nH]n4)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC001609285692 1170913361 /nfs/dbraw/zinc/91/33/61/1170913361.db2.gz OZARVSOABSDKRW-AOOOYVTPSA-N 1 0 315.337 0.773 20 5 DCBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609405143 1170967777 /nfs/dbraw/zinc/96/77/77/1170967777.db2.gz XJXXSNINWYYTKI-AOOOYVTPSA-N 1 0 315.337 0.739 20 5 DCBDRO COC(=O)[C@]1(O)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001620532371 1171404321 /nfs/dbraw/zinc/40/43/21/1171404321.db2.gz ITZBJORXBZRJTO-AWEZNQCLSA-N 1 0 310.306 0.583 20 5 DCBDRO Nc1ncc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC001626733510 1171487712 /nfs/dbraw/zinc/48/77/12/1171487712.db2.gz GHPXCBWDXTUURV-LLVKDONJSA-N 1 0 305.338 0.882 20 5 DCBDRO Nc1ncc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001639491943 1171840218 /nfs/dbraw/zinc/84/02/18/1171840218.db2.gz GJYUNBBLIOSZAT-NSHDSACASA-N 1 0 323.353 0.149 20 5 DCBDRO C[C@](CO)([NH2+]CCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC001648020620 1173064779 /nfs/dbraw/zinc/06/47/79/1173064779.db2.gz YVLYNPOTMKJAIV-CQSZACIVSA-N 1 0 309.322 0.844 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2C[C@H](CCO)[C@H](CO)C2)cc1 ZINC001648634895 1173078623 /nfs/dbraw/zinc/07/86/23/1173078623.db2.gz KSSICFLYQUBPLM-KCQAQPDRSA-N 1 0 310.350 0.551 20 5 DCBDRO O=C(CC[N@@H+]1CC[C@@H](O)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751544 1173810805 /nfs/dbraw/zinc/81/08/05/1173810805.db2.gz GYTXXNIGLPBRCI-BXUZGUMPSA-N 1 0 323.349 0.599 20 5 DCBDRO O=C1OCC[C@@]12CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001655919705 1173829851 /nfs/dbraw/zinc/82/98/51/1173829851.db2.gz WRLBMNNCEGIZMS-CQSZACIVSA-N 1 0 307.306 0.396 20 5 DCBDRO C[C@@H]1CN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[N@@H+]1CCO ZINC001659064044 1173929980 /nfs/dbraw/zinc/92/99/80/1173929980.db2.gz IQLCEGHDSKRNNZ-QWHCGFSZSA-N 1 0 324.381 0.143 20 5 DCBDRO CC(=O)NCC(=O)NC/C=C\C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001699223621 1177953659 /nfs/dbraw/zinc/95/36/59/1177953659.db2.gz GJUHZTLYJYAMHQ-PLNGDYQASA-N 1 0 320.349 0.493 20 5 DCBDRO CCC[N@H+](CCNC(=O)C(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC001713549329 1180915413 /nfs/dbraw/zinc/91/54/13/1180915413.db2.gz OGIMECAIJADJAO-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1nc[nH]n1 ZINC001713645094 1180990309 /nfs/dbraw/zinc/99/03/09/1180990309.db2.gz DNFVGPBSXXNSHO-UHFFFAOYSA-N 1 0 310.339 0.636 20 5 DCBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(N)=O ZINC001716533207 1182426849 /nfs/dbraw/zinc/42/68/49/1182426849.db2.gz KWGVLQZSOUKFSM-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO CCC(=O)NCC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001731898137 1185556048 /nfs/dbraw/zinc/55/60/48/1185556048.db2.gz JDAARNRMOAIGEQ-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cnco1 ZINC001754059600 1188725378 /nfs/dbraw/zinc/72/53/78/1188725378.db2.gz WSIKMNZCTYKSJD-UHFFFAOYSA-N 1 0 322.325 0.568 20 5 DCBDRO O=[N+]([O-])c1cccc2ncnc(N3CCN4CC[NH2+]C[C@@H]4C3)c21 ZINC001164400168 718842650 /nfs/dbraw/zinc/84/26/50/718842650.db2.gz RNJLTBZXFZQJTG-LLVKDONJSA-N 1 0 314.349 0.632 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001578646316 1165076296 /nfs/dbraw/zinc/07/62/96/1165076296.db2.gz CVNJTWQZWXZXQR-MRVPVSSYSA-N 1 0 315.301 0.395 20 5 DCBDRO [NH3+][C@H]1CN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)C[C@H]1O ZINC001167090089 746969062 /nfs/dbraw/zinc/96/90/62/746969062.db2.gz SRQSCMBBOFNQLC-WCBMZHEXSA-N 1 0 309.713 0.700 20 5 DCBDRO COc1nc(SC)nc(-n2cnc(CN)cc2=N)c1[N+](=O)[O-] ZINC001167351639 747125953 /nfs/dbraw/zinc/12/59/53/747125953.db2.gz YRHRIHDWYDOQJT-UHFFFAOYSA-N 1 0 323.338 0.239 20 5 DCBDRO COc1nc(C)nc(-n2c(C)ncc(C[NH3+])c2=N)c1[N+](=O)[O-] ZINC001167672701 747498785 /nfs/dbraw/zinc/49/87/85/747498785.db2.gz ULKGAMCFQDMQQB-UHFFFAOYSA-N 1 0 305.298 0.134 20 5 DCBDRO [NH3+]CCc1nnn(-c2ccc3cc(F)cc([N+](=O)[O-])c3n2)n1 ZINC001167790448 748313222 /nfs/dbraw/zinc/31/32/22/748313222.db2.gz JWYHYRHWCFGAJL-UHFFFAOYSA-N 1 0 303.257 0.759 20 5 DCBDRO [NH3+]CCc1nnn(-c2ncc(F)c3cc([N+](=O)[O-])ccc32)n1 ZINC001167791978 748314767 /nfs/dbraw/zinc/31/47/67/748314767.db2.gz ZUVITPVAXZHXMJ-UHFFFAOYSA-N 1 0 303.257 0.759 20 5 DCBDRO Cn1ncc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001168319830 749913590 /nfs/dbraw/zinc/91/35/90/749913590.db2.gz GDJNOLBEUOGJFZ-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO Cc1nnc(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC001126912111 750112958 /nfs/dbraw/zinc/11/29/58/750112958.db2.gz DJRINFOYBSXCCK-UHFFFAOYSA-N 1 0 318.337 0.470 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC001048814565 754956968 /nfs/dbraw/zinc/95/69/68/754956968.db2.gz SKAUMGCGJRRRRU-AYRXBEOTSA-N 1 0 316.361 0.637 20 5 DCBDRO O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001050325399 757602109 /nfs/dbraw/zinc/60/21/09/757602109.db2.gz BORSOBILOFVLHS-FPQZTECRSA-N 1 0 323.353 0.499 20 5 DCBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2c[n+]([O-])ccc2[N+](=O)[O-])O1 ZINC001170276613 762585449 /nfs/dbraw/zinc/58/54/49/762585449.db2.gz FUOZFALQKQJSLR-UPJWGTAASA-N 1 0 312.326 0.365 20 5 DCBDRO COc1ccc(C[C@H](C)[N@H+]2C[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001170334050 762612458 /nfs/dbraw/zinc/61/24/58/762612458.db2.gz AGYGMRIWDFERSY-JVLSTEMRSA-N 1 0 310.350 0.819 20 5 DCBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CCC(=O)NC2=O)c([N+](=O)[O-])c1 ZINC001170307450 762613339 /nfs/dbraw/zinc/61/33/39/762613339.db2.gz GACHLEKMULHNER-CABZTGNLSA-N 1 0 321.333 0.929 20 5 DCBDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)N1CCOCC1 ZINC001168986153 760530046 /nfs/dbraw/zinc/53/00/46/760530046.db2.gz WQPLWXFDSJMBMO-MCIONIFRSA-N 1 0 313.398 0.905 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCN2CCS(=O)(=O)CC2)C1 ZINC001168984743 760531231 /nfs/dbraw/zinc/53/12/31/760531231.db2.gz AAQDAOIFBLZDDD-STQMWFEESA-N 1 0 319.427 0.142 20 5 DCBDRO COC(=O)C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168957383 760531895 /nfs/dbraw/zinc/53/18/95/760531895.db2.gz GOWUJFVJUYFNME-NWDGAFQWSA-N 1 0 300.355 0.991 20 5 DCBDRO CN(c1nccc2cc([N+](=O)[O-])ccc21)S(=O)(=O)CC[NH3+] ZINC001156240390 760538052 /nfs/dbraw/zinc/53/80/52/760538052.db2.gz OGPUURMAIVWZMM-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO CC(C)(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168998445 760540713 /nfs/dbraw/zinc/54/07/13/760540713.db2.gz NCBJOBDHCNSHCF-MXWKQRLJSA-N 1 0 315.370 0.607 20 5 DCBDRO CCS(=O)(=O)N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169049668 760563667 /nfs/dbraw/zinc/56/36/67/760563667.db2.gz XQKQUBIKBLMZKE-WCQYABFASA-N 1 0 319.427 0.836 20 5 DCBDRO CC(=O)Nc1ccc(-n2cncc2C[C@@H]([NH3+])CO)cc1[N+](=O)[O-] ZINC001169075487 760576346 /nfs/dbraw/zinc/57/63/46/760576346.db2.gz RUGBIFCXFUNBCI-SNVBAGLBSA-N 1 0 319.321 0.601 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001157116257 761702997 /nfs/dbraw/zinc/70/29/97/761702997.db2.gz ODLLHWXDOUBDQF-MRVPVSSYSA-N 1 0 318.717 0.574 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)CNc2ccccc2[N+](=O)[O-])C1 ZINC001123952269 768085781 /nfs/dbraw/zinc/08/57/81/768085781.db2.gz FBNOXNZJHYVXGK-HNNXBMFYSA-N 1 0 322.365 0.532 20 5 DCBDRO Cn1cncc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001130896468 763559853 /nfs/dbraw/zinc/55/98/53/763559853.db2.gz FIXJDXIDRNMNMF-UHFFFAOYSA-N 1 0 309.351 0.909 20 5 DCBDRO CN(CCNc1ccc([N+](=O)[O-])cn1)C(=O)C12CC[NH+](CC1)C2 ZINC001101697050 764256560 /nfs/dbraw/zinc/25/65/60/764256560.db2.gz ROQVIQZUYUASHZ-UHFFFAOYSA-N 1 0 319.365 0.956 20 5 DCBDRO CN(CCNc1ncccc1[N+](=O)[O-])C(=O)C12CC[NH+](CC1)C2 ZINC001101696724 764257501 /nfs/dbraw/zinc/25/75/01/764257501.db2.gz AHLKTZLOGLFBEF-UHFFFAOYSA-N 1 0 319.365 0.956 20 5 DCBDRO CCOC(=O)c1cnc(N[C@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170772073 765670601 /nfs/dbraw/zinc/67/06/01/765670601.db2.gz GUKFOCDKBBJERM-UWVGGRQHSA-N 1 0 310.310 0.159 20 5 DCBDRO CCOC(=O)c1cnc(N[C@@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170772072 765670729 /nfs/dbraw/zinc/67/07/29/765670729.db2.gz GUKFOCDKBBJERM-NXEZZACHSA-N 1 0 310.310 0.159 20 5 DCBDRO Cn1ncc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001135288043 765869496 /nfs/dbraw/zinc/86/94/96/765869496.db2.gz DHUYECAXBQGCBW-UHFFFAOYSA-N 1 0 310.339 0.304 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC001118205687 766254968 /nfs/dbraw/zinc/25/49/68/766254968.db2.gz NKTRGDYXSSAHAU-JTQLQIEISA-N 1 0 305.338 0.916 20 5 DCBDRO COc1ccc(CNC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001118864944 766452476 /nfs/dbraw/zinc/45/24/76/766452476.db2.gz HGXZUGRXICASAN-VIFPVBQESA-N 1 0 324.337 0.025 20 5 DCBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 ZINC001119068165 766524834 /nfs/dbraw/zinc/52/48/34/766524834.db2.gz VLVZQPZQQZUQAR-GASCZTMLSA-N 1 0 320.349 0.215 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001120024982 766884586 /nfs/dbraw/zinc/88/45/86/766884586.db2.gz PUWRSNNJRLSWKC-NSHDSACASA-N 1 0 322.369 0.071 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[N@H+](C)C1 ZINC001120943317 767319344 /nfs/dbraw/zinc/31/93/44/767319344.db2.gz YOUBZAIYQQYLDA-NSHDSACASA-N 1 0 320.349 0.916 20 5 DCBDRO Cc1nn(CCC(=O)N(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1[N+](=O)[O-] ZINC001122478722 767811900 /nfs/dbraw/zinc/81/19/00/767811900.db2.gz MFKJTAQHQFGTDQ-YABSGUDNSA-N 1 0 307.354 0.474 20 5 DCBDRO CC(C)[N@H+](C)CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093674100 768687555 /nfs/dbraw/zinc/68/75/55/768687555.db2.gz ONXQSVIPEWFEPY-UHFFFAOYSA-N 1 0 311.342 0.564 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Cl)nc2n[nH]cc21 ZINC001231046779 769158595 /nfs/dbraw/zinc/15/85/95/769158595.db2.gz DMDXHDRDEGDIOR-SSDOTTSWSA-N 1 0 314.753 0.369 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)n1cnc(C[C@H]([NH3+])C(N)=O)c1 ZINC001173229879 769567711 /nfs/dbraw/zinc/56/77/11/769567711.db2.gz VYHZDQRKEIHUFR-YGRLFVJLSA-N 1 0 317.349 0.950 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc(Cl)nc2[nH]ccc21 ZINC001234478544 769667727 /nfs/dbraw/zinc/66/77/27/769667727.db2.gz MBDCEMMQNNBKKW-MRVPVSSYSA-N 1 0 313.765 0.974 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001175118401 769869705 /nfs/dbraw/zinc/86/97/05/769869705.db2.gz IXJSLDJPVCRCEA-CQSZACIVSA-N 1 0 308.338 0.316 20 5 DCBDRO O=C(N[C@@H]1CCC[C@@H]1[NH+]1CCC(O)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001175181121 769876727 /nfs/dbraw/zinc/87/67/27/769876727.db2.gz RWIGAGHPLNOQAE-NEPJUHHUSA-N 1 0 323.353 0.426 20 5 DCBDRO CSCCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154438496 770182270 /nfs/dbraw/zinc/18/22/70/770182270.db2.gz XCQKVGCITNDPKY-UHFFFAOYSA-N 1 0 315.399 0.677 20 5 DCBDRO O=[N+]([O-])c1cnc(Cl)nc1NCc1nnc2n1CCC[NH2+]C2 ZINC001155424953 770498718 /nfs/dbraw/zinc/49/87/18/770498718.db2.gz MRGXKCNESHIZFY-UHFFFAOYSA-N 1 0 324.732 0.735 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001155620545 770568113 /nfs/dbraw/zinc/56/81/13/770568113.db2.gz LMJAAMFNEIMWBE-SMDDNHRTSA-N 1 0 308.338 0.860 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N(c1ncccn1)C1C[NH2+]C1 ZINC001155871953 770644656 /nfs/dbraw/zinc/64/46/56/770644656.db2.gz UQODDKMKGZPSRE-UHFFFAOYSA-N 1 0 322.712 0.782 20 5 DCBDRO Cn1cnc(C(=O)NCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001157493338 771619639 /nfs/dbraw/zinc/61/96/39/771619639.db2.gz FTKRDGYADWUBSO-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO Cn1cnc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001157494323 771620525 /nfs/dbraw/zinc/62/05/25/771620525.db2.gz ZQMHEOQXPWPMLT-UHFFFAOYSA-N 1 0 324.366 0.695 20 5 DCBDRO Cn1ccc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)cc1=O ZINC001157618136 771642989 /nfs/dbraw/zinc/64/29/89/771642989.db2.gz NHOGWOWKAGWJEB-UHFFFAOYSA-N 1 0 316.321 0.382 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(-n2nnnc2C[NH3+])n1 ZINC001158074611 771722208 /nfs/dbraw/zinc/72/22/08/771722208.db2.gz JWGVZLQZOFZASS-UHFFFAOYSA-N 1 0 302.707 0.195 20 5 DCBDRO CCc1n[nH]c(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001158261049 771748976 /nfs/dbraw/zinc/74/89/76/771748976.db2.gz IAANBPZIDLFFEB-SNVBAGLBSA-N 1 0 307.354 0.952 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(NCc2ncn3c2C[NH2+]CCC3)n1 ZINC001158359612 771764026 /nfs/dbraw/zinc/76/40/26/771764026.db2.gz RUSCLFMOTGZVGX-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1-n1nnc2ccc(C[NH3+])cc21 ZINC001159028765 771849805 /nfs/dbraw/zinc/84/98/05/771849805.db2.gz GDXLFGNCGLFQAJ-UHFFFAOYSA-N 1 0 300.278 0.729 20 5 DCBDRO COc1cc2ncnc(NC[C@@H]3COCC[NH2+]3)c2cc1[N+](=O)[O-] ZINC001159043235 771851440 /nfs/dbraw/zinc/85/14/40/771851440.db2.gz ANYAQSXRXVITPE-SECBINFHSA-N 1 0 319.321 0.947 20 5 DCBDRO COc1cc(N[C@@]2(C[NH3+])CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160510795 772053790 /nfs/dbraw/zinc/05/37/90/772053790.db2.gz KGGUEQDIILNVIS-AWEZNQCLSA-N 1 0 307.354 0.833 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N[C@]1(C[NH3+])CN2CCC1CC2 ZINC001160514320 772055668 /nfs/dbraw/zinc/05/56/68/772055668.db2.gz VJYMOPMKXNBOTE-CQSZACIVSA-N 1 0 307.354 0.372 20 5 DCBDRO COCC1(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCOCC1 ZINC001161389958 772216580 /nfs/dbraw/zinc/21/65/80/772216580.db2.gz CRWPKTKHWTZHLO-UHFFFAOYSA-N 1 0 323.353 0.679 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NC1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001161469657 772228729 /nfs/dbraw/zinc/22/87/29/772228729.db2.gz HLDHBGGZWXVISG-ZDUSSCGKSA-N 1 0 321.381 0.775 20 5 DCBDRO Cc1c[n+]([O-])c(NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001161700940 772267661 /nfs/dbraw/zinc/26/76/61/772267661.db2.gz WSSCVAULCMJESI-UHFFFAOYSA-N 1 0 309.370 0.586 20 5 DCBDRO O=[N+]([O-])c1cnc(NC2(c3cnccn3)CC2)nc1C1C[NH2+]C1 ZINC001161945185 772303851 /nfs/dbraw/zinc/30/38/51/772303851.db2.gz GEEITOGCJUTNIR-UHFFFAOYSA-N 1 0 313.321 0.963 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC001162123829 772329074 /nfs/dbraw/zinc/32/90/74/772329074.db2.gz DZMPNVSOWYLRLB-UHFFFAOYSA-N 1 0 314.367 0.593 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1ccc(OC)c([N+](=O)[O-])n1 ZINC001162532529 772387750 /nfs/dbraw/zinc/38/77/50/772387750.db2.gz TYDJDXSREDTRQU-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C=C[C@@H]2C[NH2+]C[C@H]12 ZINC001162789681 772418785 /nfs/dbraw/zinc/41/87/85/772418785.db2.gz KBVMYLBTXRMZAA-JFUSQASVSA-N 1 0 304.306 0.962 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCc2nnn3c2C[NH2+]CCC3)c1F ZINC001162972631 772437275 /nfs/dbraw/zinc/43/72/75/772437275.db2.gz IXUQUPNYISQSEW-UHFFFAOYSA-N 1 0 323.288 0.064 20 5 DCBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cn2cnnc12 ZINC001163108392 772464265 /nfs/dbraw/zinc/46/42/65/772464265.db2.gz QFDXFLBMMFQBMX-HLUHBDAQSA-N 1 0 304.310 0.284 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncnc3sc([N+](=O)[O-])cc32)N1 ZINC001163239382 772487301 /nfs/dbraw/zinc/48/73/01/772487301.db2.gz FMBPSYIZKSICHK-JMCQJSRRSA-N 1 0 320.334 0.590 20 5 DCBDRO CCOc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001163255885 772494848 /nfs/dbraw/zinc/49/48/48/772494848.db2.gz ZXIZISNDJXEUQK-JSGCOSHPSA-N 1 0 306.322 0.984 20 5 DCBDRO CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])c(N)n2)nc1C[NH3+] ZINC001163525684 772535489 /nfs/dbraw/zinc/53/54/89/772535489.db2.gz ZEMOHISRAUEFQT-UHFFFAOYSA-N 1 0 306.282 0.393 20 5 DCBDRO [NH3+]CCN(CCO)c1cc([N+](=O)[O-])cc(Br)n1 ZINC001163836434 772579885 /nfs/dbraw/zinc/57/98/85/772579885.db2.gz CKQWRZSDCIVPBR-UHFFFAOYSA-N 1 0 305.132 0.510 20 5 DCBDRO COc1nc(N2C[C@@H](C)CC[C@@H]2C[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001164070917 772610612 /nfs/dbraw/zinc/61/06/12/772610612.db2.gz QETSOMOQIHQZNZ-DTWKUNHWSA-N 1 0 311.342 0.966 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](O)[C@@H](F)CC2)nc1C1C[NH2+]C1 ZINC001164241893 772629623 /nfs/dbraw/zinc/62/96/23/772629623.db2.gz GLWQFMKTWLBXLD-GXSJLCMTSA-N 1 0 311.317 0.371 20 5 DCBDRO C[C@H]1C[C@@H](CF)N(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001164258807 772632762 /nfs/dbraw/zinc/63/27/62/772632762.db2.gz KWZOCANMLOGKDJ-QWRGUYRKSA-N 1 0 324.360 0.979 20 5 DCBDRO CCOCCC[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164494592 772668246 /nfs/dbraw/zinc/66/82/46/772668246.db2.gz NPYOTBIUOBBATP-CHWSQXEVSA-N 1 0 313.398 0.954 20 5 DCBDRO CC1([NH+]2CCOCC2)CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC1 ZINC001165132869 772699644 /nfs/dbraw/zinc/69/96/44/772699644.db2.gz XPEFBVVQMCIUPV-UHFFFAOYSA-N 1 0 322.365 0.919 20 5 DCBDRO COc1cc(N2CC([N@H+](C)[C@@H]3CCOC3)C2)ncc1[N+](=O)[O-] ZINC001165205932 772705276 /nfs/dbraw/zinc/70/52/76/772705276.db2.gz YWQKHXGLCSECOZ-SNVBAGLBSA-N 1 0 308.338 0.908 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2ncc3c2CC[NH2+]C3)n1 ZINC001165224018 772707160 /nfs/dbraw/zinc/70/71/60/772707160.db2.gz ZJAMGSCPYZVVFP-UHFFFAOYSA-N 1 0 303.278 0.608 20 5 DCBDRO COc1nc(N2CC[C@]3(C2)CCC[NH2+]C3)nc(OC)c1[N+](=O)[O-] ZINC001165240798 772709895 /nfs/dbraw/zinc/70/98/95/772709895.db2.gz UVJHRTZTQRCJNH-CQSZACIVSA-N 1 0 323.353 0.982 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@@]3(CCOC3)C2)nc1C1C[NH2+]C1 ZINC001165254014 772711191 /nfs/dbraw/zinc/71/11/91/772711191.db2.gz DXABJVYTEVFGDT-CQSZACIVSA-N 1 0 305.338 0.688 20 5 DCBDRO COc1cc2ncnc(N3C[C@@H]4[C@H]([NH3+])[C@@H]4C3)c2cc1[N+](=O)[O-] ZINC001165381650 772730514 /nfs/dbraw/zinc/73/05/14/772730514.db2.gz ALWQJGKFNNVXAG-YFKFIEJBSA-N 1 0 301.306 0.940 20 5 DCBDRO COCc1nn(-c2c(C)c([N+](=O)[O-])cc[n+]2[O-])c2c1C[NH2+]C2 ZINC001165633984 772752201 /nfs/dbraw/zinc/75/22/01/772752201.db2.gz YTFQMBCGGRQEIE-UHFFFAOYSA-N 1 0 305.294 0.472 20 5 DCBDRO COc1ncnc(-n2c(=N)sc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC001166861030 772872409 /nfs/dbraw/zinc/87/24/09/772872409.db2.gz ZICNOUZCMBDNSH-UHFFFAOYSA-N 1 0 308.323 0.371 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1cc([N+](=O)[O-])cc(Cl)n1 ZINC001166961431 772889702 /nfs/dbraw/zinc/88/97/02/772889702.db2.gz JSTNSFGEOSZQOL-SVRRBLITSA-N 1 0 300.702 0.722 20 5 DCBDRO C[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]C[C@H]1O ZINC001204856358 772965913 /nfs/dbraw/zinc/96/59/13/772965913.db2.gz FXJUEGQZSCDAGT-PRHODGIISA-N 1 0 309.257 0.401 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@]23CCCO3)c1 ZINC001197286967 773730677 /nfs/dbraw/zinc/73/06/77/773730677.db2.gz ZKBXCEXXTPORGI-MCIONIFRSA-N 1 0 310.354 0.844 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]1CO ZINC001198113159 773863239 /nfs/dbraw/zinc/86/32/39/773863239.db2.gz WCVDTIPMZVAIKU-NSHDSACASA-N 1 0 309.322 0.999 20 5 DCBDRO O=[N+]([O-])c1cn2c(n1)OC[C@@H](OC[C@@H]1C[C@H]3CC[NH2+]C[C@@H]3O1)C2 ZINC001217884964 774205441 /nfs/dbraw/zinc/20/54/41/774205441.db2.gz WKDCBMSPNOTDMX-RHYQMDGZSA-N 1 0 324.337 0.336 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]CCOC2CCC2)CC1 ZINC001200471843 774359530 /nfs/dbraw/zinc/35/95/30/774359530.db2.gz KIZDFBOQHLKCDI-ZIAGYGMSSA-N 1 0 311.382 0.801 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ncc(F)cc1[N+](=O)[O-] ZINC001226756395 775873815 /nfs/dbraw/zinc/87/38/15/775873815.db2.gz QVGNYCCDAQHQBQ-SECBINFHSA-N 1 0 302.282 0.492 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001246155010 945349064 /nfs/dbraw/zinc/34/90/64/945349064.db2.gz WGZCQMSLUJDERC-WHOFXGATSA-N 1 0 302.334 0.230 20 5 DCBDRO Cc1ncccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001482596404 941565655 /nfs/dbraw/zinc/56/56/55/941565655.db2.gz QCQMUXXDVSPBED-ZIAGYGMSSA-N 1 0 306.366 0.945 20 5 DCBDRO CCCN(CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cncn1C ZINC001317541201 945033928 /nfs/dbraw/zinc/03/39/28/945033928.db2.gz UQUZAOMBJSOVMV-CHWSQXEVSA-N 1 0 309.370 0.414 20 5 DCBDRO O=C(NCc1ccc(C[NH2+]CCCO)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001318990481 945477646 /nfs/dbraw/zinc/47/76/46/945477646.db2.gz KUMLKVFTCPSHLA-ZIAGYGMSSA-N 1 0 307.350 0.440 20 5 DCBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319474285 945597908 /nfs/dbraw/zinc/59/79/08/945597908.db2.gz NKDBQXVOHMAKCI-RYUDHWBXSA-N 1 0 322.365 0.746 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001319757053 945660352 /nfs/dbraw/zinc/66/03/52/945660352.db2.gz TXZNFTMJVGMERT-UHFFFAOYSA-N 1 0 307.314 0.339 20 5 DCBDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(OC)c2[N+](=O)[O-])C1 ZINC001462381547 1013065510 /nfs/dbraw/zinc/06/55/10/1013065510.db2.gz DKFKYZACALHDTE-SNVBAGLBSA-N 1 0 309.322 0.877 20 5 DCBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(S(C)(=O)=O)C1 ZINC001254538461 946407193 /nfs/dbraw/zinc/40/71/93/946407193.db2.gz VQXMGIHLYUONOE-JTQLQIEISA-N 1 0 313.379 0.759 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001262557313 947726944 /nfs/dbraw/zinc/72/69/44/947726944.db2.gz VUFBUHZFXVMBBB-UHFFFAOYSA-N 1 0 323.353 0.313 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001263255029 947824613 /nfs/dbraw/zinc/82/46/13/947824613.db2.gz RYRHKEFFOVPTEJ-AWEZNQCLSA-N 1 0 307.350 0.974 20 5 DCBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001326187528 948086999 /nfs/dbraw/zinc/08/69/99/948086999.db2.gz HGUNRPHXSCMGBH-SECBINFHSA-N 1 0 317.367 0.880 20 5 DCBDRO C[NH2+][C@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001326490403 948180656 /nfs/dbraw/zinc/18/06/56/948180656.db2.gz GLEWJLYCDYWVMG-SECBINFHSA-N 1 0 317.367 0.880 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001328980440 949256947 /nfs/dbraw/zinc/25/69/47/949256947.db2.gz INKZPWOXOKMAAL-NSHDSACASA-N 1 0 322.365 0.888 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001330583960 950524965 /nfs/dbraw/zinc/52/49/65/950524965.db2.gz YSDVUZXWRRKQAL-LLVKDONJSA-N 1 0 322.365 0.792 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC001331574657 951176758 /nfs/dbraw/zinc/17/67/58/951176758.db2.gz ZHBHSXXCURDIJL-UHFFFAOYSA-N 1 0 324.337 0.027 20 5 DCBDRO O=c1ccn(Cc2nc([C@@H]3CCC[NH2+]C3)no2)cc1[N+](=O)[O-] ZINC001332360844 951609813 /nfs/dbraw/zinc/60/98/13/951609813.db2.gz VJCYQNSMCQJRNR-SECBINFHSA-N 1 0 305.294 0.655 20 5 DCBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC001332746285 951783902 /nfs/dbraw/zinc/78/39/02/951783902.db2.gz WIYYRPWZKMBMNI-WFASDCNBSA-N 1 0 303.318 0.673 20 5 DCBDRO Cc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276002404 952608883 /nfs/dbraw/zinc/60/88/83/952608883.db2.gz PZPWLVYGIKCECH-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO O=C(CNCC[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1 ZINC001336772955 952763502 /nfs/dbraw/zinc/76/35/02/952763502.db2.gz PNKAOSUTYOWRED-UHFFFAOYSA-N 1 0 306.366 0.197 20 5 DCBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC(N2CC[NH+](CC)CC2)C1 ZINC001337983817 952944590 /nfs/dbraw/zinc/94/45/90/952944590.db2.gz OVDAMXQDTBDWMS-UHFFFAOYSA-N 1 0 322.413 0.946 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC001339316635 953087030 /nfs/dbraw/zinc/08/70/30/953087030.db2.gz IXAPHPAWJWFWHN-WCFLWFBJSA-N 1 0 320.349 0.213 20 5 DCBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001341622938 953241599 /nfs/dbraw/zinc/24/15/99/953241599.db2.gz JEQRBTGUQKCREV-NEPJUHHUSA-N 1 0 324.385 0.232 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCO1 ZINC001343673540 953362678 /nfs/dbraw/zinc/36/26/78/953362678.db2.gz PIMJVZKAYLHDAK-GFCCVEGCSA-N 1 0 311.313 0.771 20 5 DCBDRO O=C1CCCN1C[C@H](O)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001349317506 954705934 /nfs/dbraw/zinc/70/59/34/954705934.db2.gz CYHWZDKOHJFBKI-KGLIPLIRSA-N 1 0 323.349 0.201 20 5 DCBDRO CCN1CC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001290799335 956890438 /nfs/dbraw/zinc/89/04/38/956890438.db2.gz IWOBHVRQLZQFCY-CYBMUJFWSA-N 1 0 319.365 0.733 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCNCC[NH2+]CC1 ZINC001358238133 957438708 /nfs/dbraw/zinc/43/87/08/957438708.db2.gz MLFIXDCTNHUMJH-ZZXKWVIFSA-N 1 0 304.350 0.629 20 5 DCBDRO C[C@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC001298641147 958671207 /nfs/dbraw/zinc/67/12/07/958671207.db2.gz PRDMJUZNQKPNPI-SNVBAGLBSA-N 1 0 307.354 0.885 20 5 DCBDRO COC(=O)c1ccnc(N2CC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001307189468 960145062 /nfs/dbraw/zinc/14/50/62/960145062.db2.gz HUMVSQIEXBMFAK-CQSZACIVSA-N 1 0 324.337 0.279 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2([C@H]3CCCO3)CCC2)c1 ZINC001308159545 960167926 /nfs/dbraw/zinc/16/79/26/960167926.db2.gz DPTQFVFDRBFRCA-CHWSQXEVSA-N 1 0 310.354 0.844 20 5 DCBDRO COC[C@@H](O)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001308359639 960174144 /nfs/dbraw/zinc/17/41/44/960174144.db2.gz HLAHALFLNQFMQV-JTQLQIEISA-N 1 0 300.311 0.796 20 5 DCBDRO CCc1n[nH]c(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001471373692 1016565818 /nfs/dbraw/zinc/56/58/18/1016565818.db2.gz MJYFXKMHNQGIDR-ZDUSSCGKSA-N 1 0 311.342 0.019 20 5 DCBDRO COC[C@@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001474492225 1017020224 /nfs/dbraw/zinc/02/02/24/1017020224.db2.gz XURWRYNWNFWEOM-GFCCVEGCSA-N 1 0 310.354 0.556 20 5 DCBDRO COc1ccc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001520151461 1017253568 /nfs/dbraw/zinc/25/35/68/1017253568.db2.gz PRHLWFJIUUFMCY-JTQLQIEISA-N 1 0 324.337 0.792 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@H]21 ZINC001557976356 1012311157 /nfs/dbraw/zinc/31/11/57/1012311157.db2.gz IGKBXEHLHOMOJS-MWLCHTKSSA-N 1 0 305.338 0.738 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001558157989 1012326710 /nfs/dbraw/zinc/32/67/10/1012326710.db2.gz LSPBXUVCIFEUIO-UONOGXRCSA-N 1 0 305.334 0.876 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ncc([N+](=O)[O-])cc3C(N)=O)[C@@H]2C1 ZINC001559303953 1012418550 /nfs/dbraw/zinc/41/85/50/1012418550.db2.gz JQEXICGFRPOGHD-XXILOJSOSA-N 1 0 305.338 0.841 20 5 DCBDRO NC(=O)[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC001560916232 1012460188 /nfs/dbraw/zinc/46/01/88/1012460188.db2.gz IAERJIYYIIEHFU-KLPPZKSPSA-N 1 0 319.365 0.812 20 5 DCBDRO C[N@H+](CCn1cnnc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001460752148 1012963544 /nfs/dbraw/zinc/96/35/44/1012963544.db2.gz KTPLSDFJHMZANR-GFCCVEGCSA-N 1 0 321.337 0.558 20 5 DCBDRO COC[C@H](CCO)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001461237673 1013013081 /nfs/dbraw/zinc/01/30/81/1013013081.db2.gz XTQYHGOJSJBTDY-JTQLQIEISA-N 1 0 300.311 0.796 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001519607796 1017219992 /nfs/dbraw/zinc/21/99/92/1017219992.db2.gz UQISSDZCVREJDW-GFCCVEGCSA-N 1 0 324.385 0.140 20 5 DCBDRO COC[C@@H](C)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000174009591 198280394 /nfs/dbraw/zinc/28/03/94/198280394.db2.gz SUUWSVKGJBMRHC-SNVBAGLBSA-N 1 0 317.367 0.498 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000566099357 291269247 /nfs/dbraw/zinc/26/92/47/291269247.db2.gz WRROVRMYJUUBJR-VIFPVBQESA-N 1 0 307.306 0.800 20 5 DCBDRO Cc1ccc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000566121615 291272105 /nfs/dbraw/zinc/27/21/05/291272105.db2.gz LBTAZEOWVAINMG-CQSZACIVSA-N 1 0 305.338 0.688 20 5 DCBDRO C[C@@H](NC[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000566123699 291272182 /nfs/dbraw/zinc/27/21/82/291272182.db2.gz CZTJNXRWSZRFJH-ZYHUDNBSSA-N 1 0 321.337 0.814 20 5 DCBDRO CO[C@@H]1C[NH2+][C@@H](C(=O)NCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000566180182 291277856 /nfs/dbraw/zinc/27/78/56/291277856.db2.gz VVGUEKCTHHDORM-QWHCGFSZSA-N 1 0 309.322 0.467 20 5 DCBDRO Cc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000566491789 291307652 /nfs/dbraw/zinc/30/76/52/291307652.db2.gz ZCCCEACUDUYBIT-CHWSQXEVSA-N 1 0 304.350 0.647 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000423712284 240240046 /nfs/dbraw/zinc/24/00/46/240240046.db2.gz CWYMDWXHLJZLEQ-GFCCVEGCSA-N 1 0 306.366 0.845 20 5 DCBDRO Cc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc(C)n1 ZINC000567104493 291337221 /nfs/dbraw/zinc/33/72/21/291337221.db2.gz PYWNFMFZMSYNBC-AWEZNQCLSA-N 1 0 305.338 0.954 20 5 DCBDRO CC[NH+]1CCC(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000567325308 291348604 /nfs/dbraw/zinc/34/86/04/291348604.db2.gz LABWDJOVPUBWCO-UHFFFAOYSA-N 1 0 324.385 0.822 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000479780012 241074965 /nfs/dbraw/zinc/07/49/65/241074965.db2.gz MKEBLYWAMAICCN-ZKCHVHJHSA-N 1 0 301.324 0.371 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2cnc3n2CCCC3)c1 ZINC000567708010 291371590 /nfs/dbraw/zinc/37/15/90/291371590.db2.gz HITRWHIJBUCLTQ-CYBMUJFWSA-N 1 0 320.353 0.475 20 5 DCBDRO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000567810227 291378914 /nfs/dbraw/zinc/37/89/14/291378914.db2.gz PJCPVVHSZIYHTB-UHFFFAOYSA-N 1 0 304.306 0.769 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000567872431 291386533 /nfs/dbraw/zinc/38/65/33/291386533.db2.gz QQIDWAHIILVDLN-NSHDSACASA-N 1 0 306.322 0.031 20 5 DCBDRO C[NH+](C)C1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000265048952 204366369 /nfs/dbraw/zinc/36/63/69/204366369.db2.gz SOACTULIVJGVDR-UHFFFAOYSA-N 1 0 311.342 0.018 20 5 DCBDRO C[NH+]1CCN(CCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000105089321 194071886 /nfs/dbraw/zinc/07/18/86/194071886.db2.gz YPGFYGQVXLJTAT-UHFFFAOYSA-N 1 0 306.366 0.962 20 5 DCBDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000339726679 253135036 /nfs/dbraw/zinc/13/50/36/253135036.db2.gz RJQBJYFLWCFKLV-QWHCGFSZSA-N 1 0 312.370 0.539 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000339765163 253140113 /nfs/dbraw/zinc/14/01/13/253140113.db2.gz WEQILAUYVPDFPJ-KBPBESRZSA-N 1 0 310.354 0.701 20 5 DCBDRO O=C(NCC1CC[NH+](CCO)CC1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000340550430 253275316 /nfs/dbraw/zinc/27/53/16/253275316.db2.gz LRFBPAZAJAHLBC-UHFFFAOYSA-N 1 0 324.337 0.130 20 5 DCBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000347007750 254120771 /nfs/dbraw/zinc/12/07/71/254120771.db2.gz DJVVFUCZLIPVTP-GQCTYLIASA-N 1 0 318.377 0.972 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)c([N+](=O)[O-])c1 ZINC000347349582 254150472 /nfs/dbraw/zinc/15/04/72/254150472.db2.gz WFGGIJXUSHBOEK-TXEJJXNPSA-N 1 0 309.322 0.011 20 5 DCBDRO Cc1cccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000348568895 254245547 /nfs/dbraw/zinc/24/55/47/254245547.db2.gz DZAOXUGVCUOGPS-AWEZNQCLSA-N 1 0 305.338 0.988 20 5 DCBDRO Cc1c(C(=O)N[C@@H](C)CC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000349933880 254304721 /nfs/dbraw/zinc/30/47/21/254304721.db2.gz FSEHNVWWMCZOGW-VIFPVBQESA-N 1 0 318.337 0.951 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000351827776 254372927 /nfs/dbraw/zinc/37/29/27/254372927.db2.gz QTJJTMDPBFNFJK-BXKDBHETSA-N 1 0 309.370 0.994 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCN1CCCOCC1 ZINC000275800760 130388032 /nfs/dbraw/zinc/38/80/32/130388032.db2.gz HZIXKEKLTKGTEZ-UHFFFAOYSA-N 1 0 308.338 0.629 20 5 DCBDRO NC(=O)NC(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000030539052 395702813 /nfs/dbraw/zinc/70/28/13/395702813.db2.gz YLGAQUKLDRQHPV-UHFFFAOYSA-N 1 0 321.337 0.302 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000035333718 395720209 /nfs/dbraw/zinc/72/02/09/395720209.db2.gz YGMPSYAKPDMNMN-UHFFFAOYSA-N 1 0 314.367 0.303 20 5 DCBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000194415157 395796482 /nfs/dbraw/zinc/79/64/82/395796482.db2.gz IJEZGEXODJZGFW-UHFFFAOYSA-N 1 0 318.333 0.325 20 5 DCBDRO CCc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237139099 395903648 /nfs/dbraw/zinc/90/36/48/395903648.db2.gz MKHITSNYPSZEIE-UHFFFAOYSA-N 1 0 306.366 0.792 20 5 DCBDRO CN(C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000136819046 395948606 /nfs/dbraw/zinc/94/86/06/395948606.db2.gz GOLGSPUYMDMUDJ-OLZOCXBDSA-N 1 0 314.363 0.747 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000140023139 395955753 /nfs/dbraw/zinc/95/57/53/395955753.db2.gz MGGFMHZWEMEEJI-SECBINFHSA-N 1 0 314.367 0.748 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000141384964 395957795 /nfs/dbraw/zinc/95/77/95/395957795.db2.gz BRGHNQJMSIOKRD-GFCCVEGCSA-N 1 0 307.354 0.796 20 5 DCBDRO Cc1c(C(=O)N2CCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274715676 395970136 /nfs/dbraw/zinc/97/01/36/395970136.db2.gz ALVAUFZBKHCAJH-JTQLQIEISA-N 1 0 324.293 0.611 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000274823110 395978999 /nfs/dbraw/zinc/97/89/99/395978999.db2.gz SUZJFMBNZSBRMP-NSHDSACASA-N 1 0 309.322 0.550 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000151322972 395983870 /nfs/dbraw/zinc/98/38/70/395983870.db2.gz KHPYNHOYUWJOQD-QWRGUYRKSA-N 1 0 322.369 0.716 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000154030208 396029606 /nfs/dbraw/zinc/02/96/06/396029606.db2.gz DBXSIEFGNMESNX-LBPRGKRZSA-N 1 0 309.370 0.898 20 5 DCBDRO CC(C)([NH3+])CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000159930118 396072623 /nfs/dbraw/zinc/07/26/23/396072623.db2.gz UIWLGABTWPWWSV-UHFFFAOYSA-N 1 0 304.310 0.643 20 5 DCBDRO [NH3+]C1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000261676601 396055283 /nfs/dbraw/zinc/05/52/83/396055283.db2.gz HQMFXHDDQUBJPR-UHFFFAOYSA-N 1 0 322.321 0.685 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261724688 396059834 /nfs/dbraw/zinc/05/98/34/396059834.db2.gz QPNAOPPWFRNCTI-GHMZBOCLSA-N 1 0 311.363 0.825 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071310223 396112796 /nfs/dbraw/zinc/11/27/96/396112796.db2.gz POYWRSBZTGDHKB-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO O=C(C[C@H]1COCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000262280682 396117242 /nfs/dbraw/zinc/11/72/42/396117242.db2.gz XAMNEJIRKPNLHI-NSHDSACASA-N 1 0 308.338 0.501 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCC[C@H]([NH2+]C)C2)c([N+](=O)[O-])n1 ZINC000261946388 396082476 /nfs/dbraw/zinc/08/24/76/396082476.db2.gz FIIDNXJCSKFQPL-VIFPVBQESA-N 1 0 317.371 0.184 20 5 DCBDRO C[C@@H]1C[N@H+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CCCO1 ZINC000277714537 396083355 /nfs/dbraw/zinc/08/33/55/396083355.db2.gz WURHNWGZBQHUHH-SNVBAGLBSA-N 1 0 311.342 0.549 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000178614852 396200918 /nfs/dbraw/zinc/20/09/18/396200918.db2.gz JCWFIDRKTZENIE-VIFPVBQESA-N 1 0 304.310 0.643 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178679808 396204182 /nfs/dbraw/zinc/20/41/82/396204182.db2.gz LNWZVESIXZLFAH-QMMMGPOBSA-N 1 0 304.306 0.903 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000077817764 396234606 /nfs/dbraw/zinc/23/46/06/396234606.db2.gz MGKYGQYNMYFLJT-JTQLQIEISA-N 1 0 306.322 0.601 20 5 DCBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000183306699 396266616 /nfs/dbraw/zinc/26/66/16/396266616.db2.gz NPHFMPNLVNOMOT-SKDRFNHKSA-N 1 0 308.342 0.545 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264562641 396291181 /nfs/dbraw/zinc/29/11/81/396291181.db2.gz QXUXZRCCLLJSOB-ZDUSSCGKSA-N 1 0 320.349 0.664 20 5 DCBDRO COc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000267018168 396354349 /nfs/dbraw/zinc/35/43/49/396354349.db2.gz CHMNMOXMZJBZOX-UHFFFAOYSA-N 1 0 323.349 0.790 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000269140789 396389021 /nfs/dbraw/zinc/38/90/21/396389021.db2.gz VSWKXYARAYJMLO-JTQLQIEISA-N 1 0 316.321 0.609 20 5 DCBDRO C[C@@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1 ZINC000286426144 396394770 /nfs/dbraw/zinc/39/47/70/396394770.db2.gz NHTLYAZOMIYAIR-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO O=C1NC(=O)[C@]2(CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000192659000 396435148 /nfs/dbraw/zinc/43/51/48/396435148.db2.gz OCMAJCRNNBFOJD-OAHLLOKOSA-N 1 0 318.333 0.811 20 5 DCBDRO Cn1ncc(C2CC2)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000594732490 396502479 /nfs/dbraw/zinc/50/24/79/396502479.db2.gz LYKJJEQVTMZYNC-LBPRGKRZSA-N 1 0 320.353 0.553 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000594738100 396503082 /nfs/dbraw/zinc/50/30/82/396503082.db2.gz HADMJSUURDLGDB-WCQYABFASA-N 1 0 324.768 0.992 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000580893236 396508963 /nfs/dbraw/zinc/50/89/63/396508963.db2.gz NBEMRKUKIFCERK-LLVKDONJSA-N 1 0 309.370 0.516 20 5 DCBDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193412245 396450796 /nfs/dbraw/zinc/45/07/96/396450796.db2.gz BLPATOMWMAZVLK-SECBINFHSA-N 1 0 306.322 0.910 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289085689 396454445 /nfs/dbraw/zinc/45/44/45/396454445.db2.gz BESFDONARCWWJK-OAHLLOKOSA-N 1 0 320.349 0.359 20 5 DCBDRO Cc1nccn1C[C@H](C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000581066778 396523090 /nfs/dbraw/zinc/52/30/90/396523090.db2.gz XHJDQPWIGLBMHF-BXUZGUMPSA-N 1 0 322.369 0.583 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595245523 396569381 /nfs/dbraw/zinc/56/93/81/396569381.db2.gz UITUQJAIYZUJQT-ZETCQYMHSA-N 1 0 314.729 0.911 20 5 DCBDRO C[C@@H]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)[C@@H]1CCC[NH3+] ZINC000595258776 396573186 /nfs/dbraw/zinc/57/31/86/396573186.db2.gz UPRCNMHZNMIYGQ-GHMZBOCLSA-N 1 0 310.358 0.552 20 5 DCBDRO Cn1ccnc1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000530410535 396577284 /nfs/dbraw/zinc/57/72/84/396577284.db2.gz KDNHPKBAGGKVKV-GFCCVEGCSA-N 1 0 317.349 0.980 20 5 DCBDRO NC(=O)C1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000595727358 396651819 /nfs/dbraw/zinc/65/18/19/396651819.db2.gz BKGXOHLTRWZEJD-UHFFFAOYSA-N 1 0 309.322 0.598 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cnc3N)[C@H]2C1 ZINC000373395073 396588565 /nfs/dbraw/zinc/58/85/65/396588565.db2.gz SWUFBSOVGMPVDD-CABZTGNLSA-N 1 0 305.338 0.738 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(c3c(Cl)cccc3[N+](=O)[O-])CCN2C1=O ZINC000582431998 396610540 /nfs/dbraw/zinc/61/05/40/396610540.db2.gz YOGJJNBUTRTLJS-SCZZXKLOSA-N 1 0 310.741 0.996 20 5 DCBDRO O=C1C[C@@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1 ZINC000595524645 396623388 /nfs/dbraw/zinc/62/33/88/396623388.db2.gz ZFABFKQREAJCJA-LLVKDONJSA-N 1 0 305.338 0.248 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCn1ccc([N+](=O)[O-])n1 ZINC000374422347 396663583 /nfs/dbraw/zinc/66/35/83/396663583.db2.gz RIVLXNHMWFWYAS-RDBSUJKOSA-N 1 0 323.397 0.975 20 5 DCBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000586779808 396665628 /nfs/dbraw/zinc/66/56/28/396665628.db2.gz HMWXTWWJYRFLSO-SNVBAGLBSA-N 1 0 322.369 0.216 20 5 DCBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860173 396695778 /nfs/dbraw/zinc/69/57/78/396695778.db2.gz FDVOMOHTGUMBOO-MNOVXSKESA-N 1 0 311.363 0.937 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000595982864 396702891 /nfs/dbraw/zinc/70/28/91/396702891.db2.gz IHSSINMFKUCGIL-JTQLQIEISA-N 1 0 308.338 0.357 20 5 DCBDRO Nc1ccc(N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)nc1[N+](=O)[O-] ZINC000596014404 396707793 /nfs/dbraw/zinc/70/77/93/396707793.db2.gz PBVQLISUQLDJSE-SNVBAGLBSA-N 1 0 318.341 0.464 20 5 DCBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CCn1cc([N+](=O)[O-])nc1C ZINC000375066015 396709078 /nfs/dbraw/zinc/70/90/78/396709078.db2.gz RBQJTVNOMZHLEU-QWRGUYRKSA-N 1 0 313.333 0.648 20 5 DCBDRO O=c1[nH]ccc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000596111726 396718205 /nfs/dbraw/zinc/71/82/05/396718205.db2.gz BQBGZQOUOMGILC-ZYHUDNBSSA-N 1 0 308.338 0.731 20 5 DCBDRO NC(=O)c1ccnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000589573800 396718630 /nfs/dbraw/zinc/71/86/30/396718630.db2.gz KKGNXKWNOGWGOQ-SNVBAGLBSA-N 1 0 305.338 0.985 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596120041 396720170 /nfs/dbraw/zinc/72/01/70/396720170.db2.gz CRKZTEYETVWGOU-NSHDSACASA-N 1 0 321.381 0.742 20 5 DCBDRO O=c1[nH]ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596139068 396723624 /nfs/dbraw/zinc/72/36/24/396723624.db2.gz ALGDIJRYZWDKHA-LLVKDONJSA-N 1 0 308.338 0.854 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000304352560 396730396 /nfs/dbraw/zinc/73/03/96/396730396.db2.gz RUDJBCQSHOKOSA-OAHLLOKOSA-N 1 0 323.397 0.712 20 5 DCBDRO Cc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000563433641 396734841 /nfs/dbraw/zinc/73/48/41/396734841.db2.gz PHZUMUBFBHIDPW-ONGXEEELSA-N 1 0 308.313 0.791 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([NH+]2CCOCC2)CC1 ZINC000600104915 396737624 /nfs/dbraw/zinc/73/76/24/396737624.db2.gz CABPHHCFXGYESQ-UHFFFAOYSA-N 1 0 323.353 0.115 20 5 DCBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000610970683 396796302 /nfs/dbraw/zinc/79/63/02/396796302.db2.gz YWPKGYMFKGINNQ-GFCCVEGCSA-N 1 0 322.365 0.747 20 5 DCBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)C[C@H](C)[N@H+]1CCO ZINC000596256323 396746251 /nfs/dbraw/zinc/74/62/51/396746251.db2.gz AAMYTDNXSJLSFU-PHIMTYICSA-N 1 0 322.365 0.585 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(CC[NH3+])nn1 ZINC000316546464 396796557 /nfs/dbraw/zinc/79/65/57/396796557.db2.gz DDEIKDUBVFUNSJ-UHFFFAOYSA-N 1 0 304.310 0.417 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H](O)C(F)(F)F ZINC000305780688 396752261 /nfs/dbraw/zinc/75/22/61/396752261.db2.gz TUNMGOXWWPZBAB-RKDXNWHRSA-N 1 0 312.248 0.007 20 5 DCBDRO C[N@H+](CCOC(C)(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000610859707 396771702 /nfs/dbraw/zinc/77/17/02/396771702.db2.gz IZQCXPDTDKFLOX-LBPRGKRZSA-N 1 0 300.359 0.899 20 5 DCBDRO C[C@@H]1[C@H](O)CCN1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000590762162 396835812 /nfs/dbraw/zinc/83/58/12/396835812.db2.gz KIKXDPQFCUMPDA-QMTHXVAHSA-N 1 0 305.334 0.939 20 5 DCBDRO C[C@@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000590890318 396853511 /nfs/dbraw/zinc/85/35/11/396853511.db2.gz HNVNMFPCAMIHRO-NSHDSACASA-N 1 0 307.354 0.589 20 5 DCBDRO COCC1([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCOCC1 ZINC000590602157 396811415 /nfs/dbraw/zinc/81/14/15/396811415.db2.gz WKECJWRZDXUGDM-UHFFFAOYSA-N 1 0 323.349 0.979 20 5 DCBDRO CN(CCOCC[NH3+])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000600738129 396933386 /nfs/dbraw/zinc/93/33/86/396933386.db2.gz ZVZSGEZODBEYMD-UHFFFAOYSA-N 1 0 322.365 0.391 20 5 DCBDRO COCCC1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000591752797 396996579 /nfs/dbraw/zinc/99/65/79/396996579.db2.gz BPHXHWRMLHELRN-CYBMUJFWSA-N 1 0 312.370 0.949 20 5 DCBDRO CCN1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591765766 397000136 /nfs/dbraw/zinc/00/01/36/397000136.db2.gz GLZQLQONCAVYRW-TZMCWYRMSA-N 1 0 323.349 0.545 20 5 DCBDRO O=[N+]([O-])c1ccc(-n2cc(CCN3CC[NH2+]CC3)nn2)cc1 ZINC000600966131 396974625 /nfs/dbraw/zinc/97/46/25/396974625.db2.gz BPWAVEZTUFHIRA-UHFFFAOYSA-N 1 0 302.338 0.623 20 5 DCBDRO [NH3+]CC1(O)CCN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000572840740 397101262 /nfs/dbraw/zinc/10/12/62/397101262.db2.gz SDJIDEAVJLNLFF-UHFFFAOYSA-N 1 0 319.321 0.397 20 5 DCBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000597679233 397059536 /nfs/dbraw/zinc/05/95/36/397059536.db2.gz QCIUIHPLTMPWKI-JTQLQIEISA-N 1 0 323.353 0.643 20 5 DCBDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000592206264 397129403 /nfs/dbraw/zinc/12/94/03/397129403.db2.gz YMOIWOUCJQLPNB-RYUDHWBXSA-N 1 0 324.333 0.829 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NCC[NH2+]C2CC2)ccc1[N+](=O)[O-] ZINC000592295501 397144410 /nfs/dbraw/zinc/14/44/10/397144410.db2.gz ZQYKDOOWNFIZGS-UHFFFAOYSA-N 1 0 320.349 0.501 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000592309454 397149795 /nfs/dbraw/zinc/14/97/95/397149795.db2.gz QXMFUTOEIJAERH-NOZJJQNGSA-N 1 0 309.322 0.792 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000592309457 397149813 /nfs/dbraw/zinc/14/98/13/397149813.db2.gz QXMFUTOEIJAERH-TVQRCGJNSA-N 1 0 309.322 0.792 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[NH2+]C1CC1 ZINC000592367085 397161190 /nfs/dbraw/zinc/16/11/90/397161190.db2.gz SJZMFYXJBOGPHU-UHFFFAOYSA-N 1 0 315.351 0.634 20 5 DCBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000592366808 397161687 /nfs/dbraw/zinc/16/16/87/397161687.db2.gz JJOKVQVHODBRGB-NSHDSACASA-N 1 0 313.379 0.748 20 5 DCBDRO CC[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592382039 397163451 /nfs/dbraw/zinc/16/34/51/397163451.db2.gz GHNYSVLCFHILLL-UWVGGRQHSA-N 1 0 314.367 0.738 20 5 DCBDRO CO[C@@H]1COC[C@H]1[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572957995 397116395 /nfs/dbraw/zinc/11/63/95/397116395.db2.gz ALWJVBKKLMKWJC-CHWSQXEVSA-N 1 0 309.322 0.927 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000592546622 397207734 /nfs/dbraw/zinc/20/77/34/397207734.db2.gz BMYBDSFFJXEEDP-CYBMUJFWSA-N 1 0 321.333 0.880 20 5 DCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592568746 397219255 /nfs/dbraw/zinc/21/92/55/397219255.db2.gz XUAFZBJKYTWNMY-DCAQKATOSA-N 1 0 322.365 0.955 20 5 DCBDRO C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000602100506 397301060 /nfs/dbraw/zinc/30/10/60/397301060.db2.gz BWBTUHDLYUPHCH-GHMZBOCLSA-N 1 0 307.354 0.953 20 5 DCBDRO CO[C@H](C[NH3+])CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000391112900 397304027 /nfs/dbraw/zinc/30/40/27/397304027.db2.gz VCHVVUNJKFVEGV-LBPRGKRZSA-N 1 0 323.353 0.002 20 5 DCBDRO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1C[NH2+]C1 ZINC000391421035 397304596 /nfs/dbraw/zinc/30/45/96/397304596.db2.gz WVRVMCZGWHQEOC-LLVKDONJSA-N 1 0 319.365 0.494 20 5 DCBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914061 397306752 /nfs/dbraw/zinc/30/67/52/397306752.db2.gz WUHGWKKXKUFMQL-NXEZZACHSA-N 1 0 306.322 0.729 20 5 DCBDRO CC1([NH3+])CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598914427 397307762 /nfs/dbraw/zinc/30/77/62/397307762.db2.gz DJKVGVGQBYJYKU-UHFFFAOYSA-N 1 0 306.322 0.873 20 5 DCBDRO COC(=O)c1ccnc(NCCOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000598614046 397259407 /nfs/dbraw/zinc/25/94/07/397259407.db2.gz NELNBQCNKFIJMU-UHFFFAOYSA-N 1 0 312.326 0.767 20 5 DCBDRO COC(=O)c1ccnc(NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000598614637 397259730 /nfs/dbraw/zinc/25/97/30/397259730.db2.gz MJBKWXHSJCOXAL-ZDUSSCGKSA-N 1 0 310.310 0.255 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418382817 397375306 /nfs/dbraw/zinc/37/53/06/397375306.db2.gz NCWVVGCDZIRHGM-LLVKDONJSA-N 1 0 320.353 0.183 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577999296 397377394 /nfs/dbraw/zinc/37/73/94/397377394.db2.gz IAHNIQDLZDGKSQ-IMRBUKKESA-N 1 0 302.334 0.880 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](OC)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000370342672 397471855 /nfs/dbraw/zinc/47/18/55/397471855.db2.gz LFMUUJPVIMYWPC-NEPJUHHUSA-N 1 0 312.326 0.444 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000602828564 397496570 /nfs/dbraw/zinc/49/65/70/397496570.db2.gz HIBBBYLZSDDKJJ-GXTWGEPZSA-N 1 0 323.397 0.895 20 5 DCBDRO COCC[N@H+](C)C[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593962652 397487017 /nfs/dbraw/zinc/48/70/17/397487017.db2.gz VRQCXPRMTLOFRV-MRXNPFEDSA-N 1 0 323.393 0.892 20 5 DCBDRO C[NH+]1CCC2(CCCN2C(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000371361881 397576078 /nfs/dbraw/zinc/57/60/78/397576078.db2.gz VNLIEBLYNYUZNB-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO Nc1c(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc(F)cc1[N+](=O)[O-] ZINC000579121111 397525884 /nfs/dbraw/zinc/52/58/84/397525884.db2.gz GRADJKISQWUOHR-VIFPVBQESA-N 1 0 312.301 0.506 20 5 DCBDRO [NH3+]CC1(NC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000599907982 397538335 /nfs/dbraw/zinc/53/83/35/397538335.db2.gz QODWDFHFORKNGO-UHFFFAOYSA-N 1 0 322.365 0.944 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000579236350 397540387 /nfs/dbraw/zinc/54/03/87/397540387.db2.gz LOSPZNRDYYEGOC-NSHDSACASA-N 1 0 309.322 0.793 20 5 DCBDRO CNc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000579240892 397541630 /nfs/dbraw/zinc/54/16/30/397541630.db2.gz BLTYBOZNSGGXCW-STQMWFEESA-N 1 0 308.338 0.383 20 5 DCBDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[nH]3)C2)CC1 ZINC000609571586 397782571 /nfs/dbraw/zinc/78/25/71/397782571.db2.gz FDZXCNHWLGLINH-LLVKDONJSA-N 1 0 321.381 0.821 20 5 DCBDRO Nc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC000320727505 159010361 /nfs/dbraw/zinc/01/03/61/159010361.db2.gz DQSZZFURJZPPAW-VXGBXAGGSA-N 1 0 320.349 0.770 20 5 DCBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373461 159389879 /nfs/dbraw/zinc/38/98/79/159389879.db2.gz GDUHPMHSKJGXAW-QPUJVOFHSA-N 1 0 301.306 0.905 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419151598 287270640 /nfs/dbraw/zinc/27/06/40/287270640.db2.gz NGZNGZPJWIWFGK-QWRGUYRKSA-N 1 0 320.349 0.722 20 5 DCBDRO CNC(=O)N[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000342364339 415154219 /nfs/dbraw/zinc/15/42/19/415154219.db2.gz DLYYBQYXHFTGLR-NSHDSACASA-N 1 0 308.338 0.977 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146259 415165775 /nfs/dbraw/zinc/16/57/75/415165775.db2.gz FDDQZUNDVIHAED-GXFFZTMASA-N 1 0 320.349 0.355 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000272601408 415291776 /nfs/dbraw/zinc/29/17/76/415291776.db2.gz XNYOVONOFVNNTR-NSHDSACASA-N 1 0 309.322 0.751 20 5 DCBDRO NC(=O)c1cccc(N2CCN3CCOC[C@@H]3C2)c1[N+](=O)[O-] ZINC000342833163 415309231 /nfs/dbraw/zinc/30/92/31/415309231.db2.gz XZCNJZDJBRHOAJ-JTQLQIEISA-N 1 0 306.322 0.215 20 5 DCBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814863 415335353 /nfs/dbraw/zinc/33/53/53/415335353.db2.gz KCMQXOMBSNCVKQ-NFAWXSAZSA-N 1 0 323.397 0.711 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000353216274 415481165 /nfs/dbraw/zinc/48/11/65/415481165.db2.gz KHHPTLHBVIKIQF-RKDXNWHRSA-N 1 0 317.371 0.169 20 5 DCBDRO CN(CC[NH+]1CCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000343493815 415615818 /nfs/dbraw/zinc/61/58/18/415615818.db2.gz PRHOAAMBMJYFLE-UHFFFAOYSA-N 1 0 308.338 0.311 20 5 DCBDRO CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000102488836 415597813 /nfs/dbraw/zinc/59/78/13/415597813.db2.gz BAWVKEYIELGHKH-LLVKDONJSA-N 1 0 309.370 0.984 20 5 DCBDRO COC(=O)CC[C@H]([NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000288864719 415697078 /nfs/dbraw/zinc/69/70/78/415697078.db2.gz XZAXOXOOLMEUKP-NSHDSACASA-N 1 0 309.322 0.534 20 5 DCBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000344643678 415964330 /nfs/dbraw/zinc/96/43/30/415964330.db2.gz NDFKODRRKJTQKK-JTQLQIEISA-N 1 0 310.358 0.423 20 5 DCBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000357362297 416068109 /nfs/dbraw/zinc/06/81/09/416068109.db2.gz MASKBDYVEBVBOX-UHFFFAOYSA-N 1 0 310.358 0.554 20 5 DCBDRO Cc1nn(C)c(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1[N+](=O)[O-] ZINC000301299413 416080502 /nfs/dbraw/zinc/08/05/02/416080502.db2.gz QJOPDRSDLVCZRI-ZDUSSCGKSA-N 1 0 322.413 0.853 20 5 DCBDRO CNC(=O)CC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171759093 416040157 /nfs/dbraw/zinc/04/01/57/416040157.db2.gz UPPQVTPJIPKSTC-CYBMUJFWSA-N 1 0 320.349 0.768 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000357480147 416086969 /nfs/dbraw/zinc/08/69/69/416086969.db2.gz XYVUNTFKFAPZPR-UHFFFAOYSA-N 1 0 319.314 0.335 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(CO)CC1 ZINC000305252744 416104691 /nfs/dbraw/zinc/10/46/91/416104691.db2.gz VPFBBAUYIBZXJX-ORHYLEIMSA-N 1 0 312.370 0.635 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3c(c([N+](=O)[O-])c2)OCO3)C1 ZINC000358057975 416181272 /nfs/dbraw/zinc/18/12/72/416181272.db2.gz PSERQXXGSZXVSV-CQSZACIVSA-N 1 0 323.305 0.120 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000179380481 416186555 /nfs/dbraw/zinc/18/65/55/416186555.db2.gz JPBVHURDASAWQE-UHFFFAOYSA-N 1 0 303.340 0.109 20 5 DCBDRO C[NH+](C)[C@@]1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCSC1 ZINC000347869846 416226492 /nfs/dbraw/zinc/22/64/92/416226492.db2.gz SBJYHVYVRQXFMV-CYBMUJFWSA-N 1 0 322.394 1.487 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H](C)CC[NH3+] ZINC000349941268 416262751 /nfs/dbraw/zinc/26/27/51/416262751.db2.gz WKCIYEFTZZBDIQ-WPRPVWTQSA-N 1 0 312.374 0.681 20 5 DCBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000359203152 416312233 /nfs/dbraw/zinc/31/22/33/416312233.db2.gz CJICVZUBQXJAIT-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000193250779 416314482 /nfs/dbraw/zinc/31/44/82/416314482.db2.gz ZQGMMMIKOJMKIH-ZETCQYMHSA-N 1 0 319.314 0.464 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000415668661 416350606 /nfs/dbraw/zinc/35/06/06/416350606.db2.gz DAQARBLGFVFLAG-PHIMTYICSA-N 1 0 318.333 0.520 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000415785479 416353843 /nfs/dbraw/zinc/35/38/43/416353843.db2.gz HEYIITQVCMBAFR-UHFFFAOYSA-N 1 0 322.321 0.490 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415865970 416356508 /nfs/dbraw/zinc/35/65/08/416356508.db2.gz JIQIQQYVIAASFM-QWRGUYRKSA-N 1 0 318.333 0.601 20 5 DCBDRO O=C([C@H]1CC[NH2+]C1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238007456 416329606 /nfs/dbraw/zinc/32/96/06/416329606.db2.gz ANDLGZHTBHZAKX-QWRGUYRKSA-N 1 0 305.338 0.612 20 5 DCBDRO Cc1n[nH]c(C(=O)NCCN2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000360882372 416415947 /nfs/dbraw/zinc/41/59/47/416415947.db2.gz DRLONVCWSBKSRJ-UHFFFAOYSA-N 1 0 324.385 0.382 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N(CC[NH3+])CCc1ccccc1 ZINC000423648814 416534749 /nfs/dbraw/zinc/53/47/49/416534749.db2.gz JAHBLGNGXMVNAX-UHFFFAOYSA-N 1 0 317.349 0.972 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362069945 416553060 /nfs/dbraw/zinc/55/30/60/416553060.db2.gz VLBLBKMWCPGFSO-UPJWGTAASA-N 1 0 310.350 0.895 20 5 DCBDRO CNc1nccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000584241773 416509604 /nfs/dbraw/zinc/50/96/04/416509604.db2.gz UWQFMTZWWQPDDR-FGWVZKOKSA-N 1 0 319.365 1.387 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCCO1 ZINC000424016749 416606195 /nfs/dbraw/zinc/60/61/95/416606195.db2.gz FJOXDBRLFSGPIT-GFCCVEGCSA-N 1 0 322.365 0.973 20 5 DCBDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000514850050 416680155 /nfs/dbraw/zinc/68/01/55/416680155.db2.gz WRKRGCYQHYMXQA-UHFFFAOYSA-N 1 0 322.365 0.654 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000440837098 416650644 /nfs/dbraw/zinc/65/06/44/416650644.db2.gz YDZIQHWWXKZAAL-LJGSYFOKSA-N 1 0 319.314 0.511 20 5 DCBDRO CC[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000514932392 416684485 /nfs/dbraw/zinc/68/44/85/416684485.db2.gz UGEIRRAOBJUOAW-NSHDSACASA-N 1 0 317.367 0.234 20 5 DCBDRO Nc1nccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000548387059 416688454 /nfs/dbraw/zinc/68/84/54/416688454.db2.gz QHALKBWFLJZLRC-JTQLQIEISA-N 1 0 305.338 0.882 20 5 DCBDRO CN(CC1([NH+](C)C)CCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000553558690 416704348 /nfs/dbraw/zinc/70/43/48/416704348.db2.gz OISJSXHOQRDBPS-UHFFFAOYSA-N 1 0 307.354 1.128 20 5 DCBDRO COCC[N@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000518563093 416864236 /nfs/dbraw/zinc/86/42/36/416864236.db2.gz UZRFBNBQVUZPAG-LBPRGKRZSA-N 1 0 314.338 0.405 20 5 DCBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000561172120 416855589 /nfs/dbraw/zinc/85/55/89/416855589.db2.gz KBQSARSLPSOZDW-JTQLQIEISA-N 1 0 307.354 1.103 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429333007 416963505 /nfs/dbraw/zinc/96/35/05/416963505.db2.gz MVPQREBBQFAQAW-SECBINFHSA-N 1 0 309.322 0.714 20 5 DCBDRO C[C@@H]1CC[C@@H]([N@H+](CCO)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429761204 416993684 /nfs/dbraw/zinc/99/36/84/416993684.db2.gz DBLQDBIIRKTCRY-YRGRVCCFSA-N 1 0 312.370 0.635 20 5 DCBDRO Cc1nc(NC[C@H](O)C[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000450329875 417218221 /nfs/dbraw/zinc/21/82/21/417218221.db2.gz SBQWEQLDFNVEIU-LBPRGKRZSA-N 1 0 309.370 1.198 20 5 DCBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451505825 417354440 /nfs/dbraw/zinc/35/44/40/417354440.db2.gz UUPLAWPUGCBYEX-OJAKKHQRSA-N 1 0 312.370 0.801 20 5 DCBDRO CO[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000451748620 417389240 /nfs/dbraw/zinc/38/92/40/417389240.db2.gz JFQDDJHDYINYOF-MRVWCRGKSA-N 1 0 312.322 0.026 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000451624531 417365219 /nfs/dbraw/zinc/36/52/19/417365219.db2.gz NQXRPXCZRYYQCQ-IPYPFGDCSA-N 1 0 321.377 0.970 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000415342075 417369341 /nfs/dbraw/zinc/36/93/41/417369341.db2.gz IGZNBXWBMRDXCU-SNVBAGLBSA-N 1 0 306.322 0.662 20 5 DCBDRO Cc1c(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000415374009 417375620 /nfs/dbraw/zinc/37/56/20/417375620.db2.gz IIDZWZTXEMUUEO-SNVBAGLBSA-N 1 0 306.322 0.710 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000576122842 417582659 /nfs/dbraw/zinc/58/26/59/417582659.db2.gz QBAVWHDKHQXVHK-WPRPVWTQSA-N 1 0 311.729 0.391 20 5 DCBDRO CNc1nc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455714336 417613120 /nfs/dbraw/zinc/61/31/20/417613120.db2.gz DISMHQAAZZDBMA-JTQLQIEISA-N 1 0 323.353 0.434 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578950037 417688139 /nfs/dbraw/zinc/68/81/39/417688139.db2.gz PPQQGCBFIGTJPB-LDYMZIIASA-N 1 0 305.338 0.785 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299286017 229028907 /nfs/dbraw/zinc/02/89/07/229028907.db2.gz GDSNJABRTLEDTR-NEPJUHHUSA-N 1 0 307.354 0.843 20 5 DCBDRO C[C@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N1CC[NH+](C)CC1 ZINC000302008289 230032892 /nfs/dbraw/zinc/03/28/92/230032892.db2.gz VEZFSEROMFKIAY-LLVKDONJSA-N 1 0 319.369 0.685 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354224166 261192800 /nfs/dbraw/zinc/19/28/00/261192800.db2.gz VVAWYBJJHIYGRH-JLLWLGSASA-N 1 0 323.353 0.642 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000354358764 261208278 /nfs/dbraw/zinc/20/82/78/261208278.db2.gz WBTDYCJDIDEKRM-UHFFFAOYSA-N 1 0 307.354 0.154 20 5 DCBDRO CC(C)[C@H](CO)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000362194491 262007234 /nfs/dbraw/zinc/00/72/34/262007234.db2.gz HGOXLFSREISDOE-ZDUSSCGKSA-N 1 0 316.379 0.975 20 5 DCBDRO Cc1nn(C)c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000363410472 262114258 /nfs/dbraw/zinc/11/42/58/262114258.db2.gz FTSHSPSJUIMFMA-VXGBXAGGSA-N 1 0 309.370 0.672 20 5 DCBDRO O=C(CC[N@@H+](CCO)CCCO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411250087 262168379 /nfs/dbraw/zinc/16/83/79/262168379.db2.gz DZOGQHAVZKZWPI-UHFFFAOYSA-N 1 0 311.338 0.600 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413818044 262223341 /nfs/dbraw/zinc/22/33/41/262223341.db2.gz NAEMXRKPYNZOIT-SNVBAGLBSA-N 1 0 323.353 0.149 20 5 DCBDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1[N+](=O)[O-] ZINC000417989509 262267499 /nfs/dbraw/zinc/26/74/99/262267499.db2.gz SWHJNXGCOYLZPR-NWDGAFQWSA-N 1 0 321.381 0.859 20 5 DCBDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000418240417 262273224 /nfs/dbraw/zinc/27/32/24/262273224.db2.gz ZJONRIPTRVOVBC-GXFFZTMASA-N 1 0 308.338 0.943 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418774623 262288680 /nfs/dbraw/zinc/28/86/80/262288680.db2.gz DGCUDRVAIOBFKQ-RNCFNFMXSA-N 1 0 320.349 0.626 20 5 DCBDRO C[C@H](CO)[N@@H+]1CCCN(c2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420612859 262378492 /nfs/dbraw/zinc/37/84/92/262378492.db2.gz PYXFKINMPVMXIK-LLVKDONJSA-N 1 0 322.365 0.587 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]([NH3+])C1 ZINC000430641024 262620204 /nfs/dbraw/zinc/62/02/04/262620204.db2.gz SAACTOWXMCZADC-UWVGGRQHSA-N 1 0 308.338 0.963 20 5 DCBDRO CO[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000359236092 271108730 /nfs/dbraw/zinc/10/87/30/271108730.db2.gz LWMNFTQKYKGONY-JSGCOSHPSA-N 1 0 323.349 0.938 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NCC(C)(C)[NH3+])cc1[N+](=O)[O-] ZINC000419267188 271280509 /nfs/dbraw/zinc/28/05/09/271280509.db2.gz IJAUNUNHRYONNU-JTQLQIEISA-N 1 0 322.365 0.934 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419267622 271280863 /nfs/dbraw/zinc/28/08/63/271280863.db2.gz JFUZELHHSIOJKN-NSHDSACASA-N 1 0 322.365 0.806 20 5 DCBDRO C[C@@H](NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000449594572 271854893 /nfs/dbraw/zinc/85/48/93/271854893.db2.gz REQSEZWBYMCRFL-AEJSXWLSSA-N 1 0 308.338 0.565 20 5 DCBDRO COc1ccc(OCC[N@H+]2C[C@H](CO)[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000459714471 272006706 /nfs/dbraw/zinc/00/67/06/272006706.db2.gz UTLCUDQKPDSKGJ-ZWNOBZJWSA-N 1 0 312.322 0.267 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000488709772 272048279 /nfs/dbraw/zinc/04/82/79/272048279.db2.gz CNWDFSDEOYZQOU-CYBMUJFWSA-N 1 0 323.397 0.976 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000493095071 272168456 /nfs/dbraw/zinc/16/84/56/272168456.db2.gz SLKZWIRYRGXHFR-HHAVJRIZSA-N 1 0 323.324 0.880 20 5 DCBDRO CN1C[C@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000495650191 272262022 /nfs/dbraw/zinc/26/20/22/272262022.db2.gz HAPNQTQEONJHMV-CMPLNLGQSA-N 1 0 321.337 0.927 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[S@](=O)C1 ZINC000521863242 272540418 /nfs/dbraw/zinc/54/04/18/272540418.db2.gz VHDLRKIADWFPHQ-FLCAKIMKSA-N 1 0 314.363 0.445 20 5 DCBDRO COCC[N@H+]1[C@H](C)CN(c2ncc([N+](=O)[O-])c(N)n2)C[C@@H]1C ZINC000131977128 274035446 /nfs/dbraw/zinc/03/54/46/274035446.db2.gz CSUOIRRRBCCCTG-AOOOYVTPSA-N 1 0 310.358 0.512 20 5 DCBDRO C[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000263268707 277023750 /nfs/dbraw/zinc/02/37/50/277023750.db2.gz WGIPIAFOOCKBIF-JTQLQIEISA-N 1 0 324.337 0.470 20 5 DCBDRO C[NH+]1CCC(Nc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000273511840 277031837 /nfs/dbraw/zinc/03/18/37/277031837.db2.gz UWDNSMIJFARKKV-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000286529259 278239689 /nfs/dbraw/zinc/23/96/89/278239689.db2.gz BLQJZWJUZSDDOW-JTQLQIEISA-N 1 0 301.368 0.964 20 5 DCBDRO C[C@@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000273438830 278287447 /nfs/dbraw/zinc/28/74/47/278287447.db2.gz CHEUTYNRUMWPCC-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000261703381 278790685 /nfs/dbraw/zinc/79/06/85/278790685.db2.gz ISSZWAGCEOBQBR-APPZFPTMSA-N 1 0 303.315 0.702 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160160842 279448892 /nfs/dbraw/zinc/44/88/92/279448892.db2.gz NKFXRCLHJLTYMH-GWCFXTLKSA-N 1 0 320.349 0.663 20 5 DCBDRO O=C([C@H]1C[NH2+]CCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000187228259 280144317 /nfs/dbraw/zinc/14/43/17/280144317.db2.gz JVYSHVKMSLBOHQ-CQSZACIVSA-N 1 0 320.349 0.232 20 5 DCBDRO C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000555290532 288347981 /nfs/dbraw/zinc/34/79/81/288347981.db2.gz MBAXXZWHVZLUIS-JTQLQIEISA-N 1 0 310.358 0.074 20 5 DCBDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000563160438 288641989 /nfs/dbraw/zinc/64/19/89/288641989.db2.gz MWPKSXYFELXLNF-GPCCPHFNSA-N 1 0 308.338 0.259 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565239889 288837195 /nfs/dbraw/zinc/83/71/95/288837195.db2.gz NMWBLBPILRZDFH-VXGBXAGGSA-N 1 0 324.768 0.992 20 5 DCBDRO [NH3+]C[C@@H]1CCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000178906159 295258076 /nfs/dbraw/zinc/25/80/76/295258076.db2.gz DLRFZGYXEQCHOE-QMMMGPOBSA-N 1 0 303.315 0.703 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[S@](=O)C2)c1 ZINC000570675362 332798192 /nfs/dbraw/zinc/79/81/92/332798192.db2.gz IEJWNVKQXJDUNX-VPOQAHPWSA-N 1 0 314.363 0.445 20 5 DCBDRO CNc1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000574915898 332849763 /nfs/dbraw/zinc/84/97/63/332849763.db2.gz KGQDOOLAXLYQBR-LLVKDONJSA-N 1 0 308.338 0.826 20 5 DCBDRO CC(C)(C)CC[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000570396766 332749968 /nfs/dbraw/zinc/74/99/68/332749968.db2.gz QICXXFSQNHGULZ-AAEUAGOBSA-N 1 0 314.386 0.929 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000582121925 333301229 /nfs/dbraw/zinc/30/12/29/333301229.db2.gz POGUOUKUEXDJBJ-IUCAKERBSA-N 1 0 300.340 0.348 20 5 DCBDRO C[C@@H]1CC2(CN1C(=O)Cn1ccc([N+](=O)[O-])n1)CC[NH2+]CC2 ZINC000584345418 335649766 /nfs/dbraw/zinc/64/97/66/335649766.db2.gz ANHLWIRDAGCELM-LLVKDONJSA-N 1 0 307.354 0.782 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCn1cncn1 ZINC000582236260 336383777 /nfs/dbraw/zinc/38/37/77/336383777.db2.gz KLYKRCJUCWTVKH-NSHDSACASA-N 1 0 307.310 0.216 20 5 DCBDRO CC(C)(C)C[C@@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393527873 337092874 /nfs/dbraw/zinc/09/28/74/337092874.db2.gz UUHUNBMHWLEWOJ-CMPLNLGQSA-N 1 0 300.359 0.539 20 5 DCBDRO O=C(NCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000582803828 337177421 /nfs/dbraw/zinc/17/74/21/337177421.db2.gz PXBADDMXIJOLJF-ZDUSSCGKSA-N 1 0 323.349 0.450 20 5 DCBDRO Cc1cc(C)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000397077172 337247646 /nfs/dbraw/zinc/24/76/46/337247646.db2.gz DHEUDWOOXQVYSX-AWEZNQCLSA-N 1 0 305.338 0.954 20 5 DCBDRO CN(C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000584468929 337344747 /nfs/dbraw/zinc/34/47/47/337344747.db2.gz AQLYJHRGXLQRQV-UHFFFAOYSA-N 1 0 316.321 0.737 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859333 533897953 /nfs/dbraw/zinc/89/79/53/533897953.db2.gz RFUARFQSYNWHST-CABZTGNLSA-N 1 0 307.354 0.984 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000415542162 534336546 /nfs/dbraw/zinc/33/65/46/534336546.db2.gz UAHUDHDEMCIIDC-NSHDSACASA-N 1 0 306.322 0.695 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415754871 534366325 /nfs/dbraw/zinc/36/63/25/534366325.db2.gz ZZAJOTVTNGYOOZ-WDEREUQCSA-N 1 0 318.333 0.601 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CC([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000158371221 521802463 /nfs/dbraw/zinc/80/24/63/521802463.db2.gz GZSPXOCPULSAPT-UHFFFAOYSA-N 1 0 307.306 0.767 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000160574374 522389447 /nfs/dbraw/zinc/38/94/47/522389447.db2.gz VBNLUWNLNDFZPZ-SNVBAGLBSA-N 1 0 309.322 0.803 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267547439 525001867 /nfs/dbraw/zinc/00/18/67/525001867.db2.gz QXVYJZKFYPNLSI-UHFFFAOYSA-N 1 0 317.367 0.786 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CCCOCC1 ZINC000189405624 526978015 /nfs/dbraw/zinc/97/80/15/526978015.db2.gz XNTCULIWCDRGTL-UHFFFAOYSA-N 1 0 323.349 0.812 20 5 DCBDRO [NH3+][C@@H]1CCCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000158359595 527346462 /nfs/dbraw/zinc/34/64/62/527346462.db2.gz RYZXVIVUHHAGIA-SNVBAGLBSA-N 1 0 316.321 0.739 20 5 DCBDRO CCO[C@@H]1C[C@@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000190022959 527872952 /nfs/dbraw/zinc/87/29/52/527872952.db2.gz USIUVSLKUJZLAG-OCCSQVGLSA-N 1 0 312.370 0.947 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419762804 535463062 /nfs/dbraw/zinc/46/30/62/535463062.db2.gz SYNQRKCLCKXDLQ-UHFFFAOYSA-N 1 0 308.338 0.245 20 5 DCBDRO COCC[N@H+](C)CCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736990616 598395004 /nfs/dbraw/zinc/39/50/04/598395004.db2.gz SBHBSPMEBSLLMA-UHFFFAOYSA-N 1 0 321.341 0.765 20 5 DCBDRO CC(C)[N@H+](C)CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820112313 606706296 /nfs/dbraw/zinc/70/62/96/606706296.db2.gz RAJDYEKMZUUSNE-UHFFFAOYSA-N 1 0 306.330 0.922 20 5 DCBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000821240276 606731100 /nfs/dbraw/zinc/73/11/00/606731100.db2.gz FYOUBBLLEFINDW-GZMMTYOYSA-N 1 0 318.341 0.922 20 5 DCBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2c([N+](=O)[O-])cnn2C)CC1 ZINC000892435684 658490449 /nfs/dbraw/zinc/49/04/49/658490449.db2.gz RBSQCXDGJVPSIZ-UHFFFAOYSA-N 1 0 324.385 0.683 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cocn2)C1 ZINC001021894266 658625699 /nfs/dbraw/zinc/62/56/99/658625699.db2.gz SJWUXVFTMVECAE-DTORHVGOSA-N 1 0 320.309 0.367 20 5 DCBDRO Cc1ncc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001022063684 658814999 /nfs/dbraw/zinc/81/49/99/658814999.db2.gz GVMWEHZRGIIBSS-YVECIDJPSA-N 1 0 305.338 0.187 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000312412813 659288904 /nfs/dbraw/zinc/28/89/04/659288904.db2.gz RYUDXSFDXHDQNB-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC000935982562 659379553 /nfs/dbraw/zinc/37/95/53/659379553.db2.gz ZFVTYLFNLXNTST-GFCCVEGCSA-N 1 0 313.329 0.705 20 5 DCBDRO CC(C)(C)OC(=O)N1CCN(CC[NH2+]CC[N+](=O)[O-])CC1 ZINC000905055960 663529078 /nfs/dbraw/zinc/52/90/78/663529078.db2.gz UQSZVDHHXVHYKS-UHFFFAOYSA-N 1 0 302.375 0.405 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913285208 664297964 /nfs/dbraw/zinc/29/79/64/664297964.db2.gz RWCUWLVVEQQFKE-OKILXGFUSA-N 1 0 307.354 0.742 20 5 DCBDRO C[NH+]1C[C@]2(C)CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000913288846 664298418 /nfs/dbraw/zinc/29/84/18/664298418.db2.gz HEVNSTZBVGNKTB-HUUCEWRRSA-N 1 0 321.381 0.982 20 5 DCBDRO CN(CC(=O)NC12CC[NH+](CC1)C2)c1ccccc1[N+](=O)[O-] ZINC000913631077 664707437 /nfs/dbraw/zinc/70/74/37/664707437.db2.gz PPQZMVOXPGNRBM-UHFFFAOYSA-N 1 0 304.350 0.995 20 5 DCBDRO Cc1cc(C)n(CC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001031662759 665274457 /nfs/dbraw/zinc/27/44/57/665274457.db2.gz LNIIHXWKFJWTEY-ZIAGYGMSSA-N 1 0 321.381 0.213 20 5 DCBDRO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC000997768987 665335923 /nfs/dbraw/zinc/33/59/23/665335923.db2.gz LYTCJJQTEQWBST-ZIAGYGMSSA-N 1 0 322.365 0.976 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997771347 665336414 /nfs/dbraw/zinc/33/64/14/665336414.db2.gz GMUMTAFARXOLJB-CHWSQXEVSA-N 1 0 319.365 0.470 20 5 DCBDRO C[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cc(F)c2=O)CC1 ZINC000865370964 667322027 /nfs/dbraw/zinc/32/20/27/667322027.db2.gz YJBSVEBDPGDUOZ-UHFFFAOYSA-N 1 0 312.301 0.106 20 5 DCBDRO O=C1COC[C@]2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000865800561 667348956 /nfs/dbraw/zinc/34/89/56/667348956.db2.gz KGTLGLNFRPIRBS-HNNXBMFYSA-N 1 0 321.333 0.312 20 5 DCBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1c([N+](=O)[O-])ncn1C ZINC000866256225 667369702 /nfs/dbraw/zinc/36/97/02/667369702.db2.gz MHKGWCYJMSXGHA-UHFFFAOYSA-N 1 0 309.370 0.877 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000923365656 667516975 /nfs/dbraw/zinc/51/69/75/667516975.db2.gz UAVTYCKIJPAFEN-ILXRZTDVSA-N 1 0 323.397 0.759 20 5 DCBDRO O=[N+]([O-])c1cc(CN2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)cs1 ZINC000923522643 667555429 /nfs/dbraw/zinc/55/54/29/667555429.db2.gz DWGCFFFFWBVUMN-ZJUUUORDSA-N 1 0 317.392 0.227 20 5 DCBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)Cn2ccnn2)c1 ZINC000839178958 667735100 /nfs/dbraw/zinc/73/51/00/667735100.db2.gz JMDWIXWLRFZKGL-LLVKDONJSA-N 1 0 311.729 0.990 20 5 DCBDRO C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cn2)CC1 ZINC000839484152 667749085 /nfs/dbraw/zinc/74/90/85/667749085.db2.gz KPAXLOMFRSKGQO-CHWSQXEVSA-N 1 0 319.365 0.115 20 5 DCBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000743261037 667805442 /nfs/dbraw/zinc/80/54/42/667805442.db2.gz OWVIERKZWWJWDD-CABCVRRESA-N 1 0 320.349 0.784 20 5 DCBDRO C[NH+]1CCC(NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000746582257 667883128 /nfs/dbraw/zinc/88/31/28/667883128.db2.gz RXTAYSISYUFKLJ-UHFFFAOYSA-N 1 0 321.333 0.997 20 5 DCBDRO C[C@H]1CN(Cn2cc([N+](=O)[O-])cn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000763336914 668405455 /nfs/dbraw/zinc/40/54/55/668405455.db2.gz NZOPVRFLBJFQJD-ZFWWWQNUSA-N 1 0 322.413 0.707 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3CCCCN3CCO)C2)c1 ZINC000877558200 668628091 /nfs/dbraw/zinc/62/80/91/668628091.db2.gz AARQQAVYICBFPH-ROKHWSDSSA-N 1 0 323.397 0.931 20 5 DCBDRO COC(=O)C[C@@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCOC1 ZINC000770710593 668708203 /nfs/dbraw/zinc/70/82/03/668708203.db2.gz RZHYHNUIJPYJMT-ZDUSSCGKSA-N 1 0 312.326 0.493 20 5 DCBDRO O=C(C[NH2+][C@H](CO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000771803320 668752481 /nfs/dbraw/zinc/75/24/81/668752481.db2.gz BOPMUXPUANDVPP-CYBMUJFWSA-N 1 0 305.334 0.844 20 5 DCBDRO C[C@H](O)C[NH+]1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776277180 668874515 /nfs/dbraw/zinc/87/45/15/668874515.db2.gz MRXUBFMUFBHLAK-WFASDCNBSA-N 1 0 309.366 0.627 20 5 DCBDRO C[N@H+](CCN1CCOCC1)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582107 668878372 /nfs/dbraw/zinc/87/83/72/668878372.db2.gz QLPJAUUETBULQP-OAHLLOKOSA-N 1 0 309.366 0.892 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCCOCC[NH+](C)C ZINC000777838085 668892246 /nfs/dbraw/zinc/89/22/46/668892246.db2.gz OLOZPQCFHMGXTH-UHFFFAOYSA-N 1 0 324.381 0.969 20 5 DCBDRO C[NH+]1CCC(CCO)(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000779444606 668911169 /nfs/dbraw/zinc/91/11/69/668911169.db2.gz RKHSOHLDULPKIC-UHFFFAOYSA-N 1 0 322.365 0.754 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000880137929 669163898 /nfs/dbraw/zinc/16/38/98/669163898.db2.gz MYTYYUQTADLUKI-KGLIPLIRSA-N 1 0 306.366 0.925 20 5 DCBDRO C[NH+]1C[C@]2(C)CN(C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000931309637 669176096 /nfs/dbraw/zinc/17/60/96/669176096.db2.gz FFJORIVZQXHPPC-RBSFLKMASA-N 1 0 323.397 0.426 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCn1cc([N+](=O)[O-])ccc1=O ZINC000931720989 669254219 /nfs/dbraw/zinc/25/42/19/669254219.db2.gz FLXVPCNKXSJGIP-QWHCGFSZSA-N 1 0 306.366 0.925 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)CC[C@@H]21 ZINC000881438911 669343285 /nfs/dbraw/zinc/34/32/85/669343285.db2.gz IYYKZIBZZYEBLC-SKDRFNHKSA-N 1 0 306.322 0.862 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000934572508 669616414 /nfs/dbraw/zinc/61/64/14/669616414.db2.gz AXSHXDZDADUSHS-CABZTGNLSA-N 1 0 307.354 0.699 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000716729201 670271027 /nfs/dbraw/zinc/27/10/27/670271027.db2.gz CMPPNCHFGWILPZ-MRVPVSSYSA-N 1 0 301.730 0.901 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000847046454 670513701 /nfs/dbraw/zinc/51/37/01/670513701.db2.gz VYBDHAQZJQLFLF-ZNMIVQPWSA-N 1 0 307.350 0.379 20 5 DCBDRO C[NH+](C)C[C@@H]1CCCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000811787808 670549202 /nfs/dbraw/zinc/54/92/02/670549202.db2.gz VRMMZSBAVXUXMR-JTQLQIEISA-N 1 0 307.354 0.867 20 5 DCBDRO CC(C)NC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000849018403 670750191 /nfs/dbraw/zinc/75/01/91/670750191.db2.gz RGXPRSBXDGKIIW-UHFFFAOYSA-N 1 0 314.367 0.891 20 5 DCBDRO CN(C[C@@H](O)C[NH3+])C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857765223 670945793 /nfs/dbraw/zinc/94/57/93/670945793.db2.gz CCBWAKXJPMCQJM-VIFPVBQESA-N 1 0 319.264 0.344 20 5 DCBDRO O=C1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CN1 ZINC000851715433 671019744 /nfs/dbraw/zinc/01/97/44/671019744.db2.gz URYGBHWMMROYCW-GFCCVEGCSA-N 1 0 304.350 0.853 20 5 DCBDRO CO[C@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000819066752 671091966 /nfs/dbraw/zinc/09/19/66/671091966.db2.gz DICIKLCMLLUREC-DTWKUNHWSA-N 1 0 312.248 0.319 20 5 DCBDRO NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819154322 671099421 /nfs/dbraw/zinc/09/94/21/671099421.db2.gz GWXUQMKLYSFQMI-XQQFMLRXSA-N 1 0 309.322 0.251 20 5 DCBDRO C[C@]1(CO)C[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@]1(C)CO ZINC000859823377 671148833 /nfs/dbraw/zinc/14/88/33/671148833.db2.gz CPYALYMFJBRDBI-HRCADAONSA-N 1 0 324.377 0.941 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000824894677 671443170 /nfs/dbraw/zinc/44/31/70/671443170.db2.gz KUMROOJCXPXPON-AWEZNQCLSA-N 1 0 307.354 0.700 20 5 DCBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC[NH+]2CCC1CC2 ZINC000830790800 671641023 /nfs/dbraw/zinc/64/10/23/671641023.db2.gz DNAOILFYKNMXML-AWEZNQCLSA-N 1 0 305.334 0.935 20 5 DCBDRO CC(C)[N@@H+]1CCCC[C@@H]1COC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000837451849 671862788 /nfs/dbraw/zinc/86/27/88/671862788.db2.gz NPVNETSDRGZXPX-LLVKDONJSA-N 1 0 311.342 0.992 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841203859 671919528 /nfs/dbraw/zinc/91/95/28/671919528.db2.gz URAKNDCKQJFJJY-UHFFFAOYSA-N 1 0 314.729 0.865 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000843062624 672057849 /nfs/dbraw/zinc/05/78/49/672057849.db2.gz LGKUYLYFXWHDEJ-KOLCDFICSA-N 1 0 324.255 0.847 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000843480742 672102766 /nfs/dbraw/zinc/10/27/66/672102766.db2.gz YGAVANPHZXBSIQ-GFCCVEGCSA-N 1 0 322.321 0.154 20 5 DCBDRO C[NH+](C)CCN1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1=O ZINC000845629112 672267654 /nfs/dbraw/zinc/26/76/54/672267654.db2.gz HUFPGCHKNVSACF-UHFFFAOYSA-N 1 0 307.354 0.387 20 5 DCBDRO CCO[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N)C[C@H]1C[NH3+] ZINC000846694696 672338109 /nfs/dbraw/zinc/33/81/09/672338109.db2.gz CMPGVELMDWDNCV-NOZJJQNGSA-N 1 0 308.338 0.613 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1ccccn1)C2 ZINC001072726860 694657542 /nfs/dbraw/zinc/65/75/42/694657542.db2.gz VBKCYEKYYRXRSZ-ZIAGYGMSSA-N 1 0 316.361 0.781 20 5 DCBDRO CN(CCC[NH2+]CCC1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754370968 1157716196 /nfs/dbraw/zinc/71/61/96/1157716196.db2.gz SKBKGYIPQVGLNA-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330760 1159972577 /nfs/dbraw/zinc/97/25/77/1159972577.db2.gz OFUWHKYETCKTRH-GZMMTYOYSA-N 1 0 305.338 0.785 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cc(C)no1 ZINC001566550395 1160054802 /nfs/dbraw/zinc/05/48/02/1160054802.db2.gz HEAIHAASTYUQGW-CHWSQXEVSA-N 1 0 310.354 0.976 20 5 DCBDRO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC001566970264 1160198221 /nfs/dbraw/zinc/19/82/21/1160198221.db2.gz OVGWMBVQLVLDBK-HBYGRHMLSA-N 1 0 318.333 0.017 20 5 DCBDRO C[NH+](C)C[C@H]1CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001567471105 1160380056 /nfs/dbraw/zinc/38/00/56/1160380056.db2.gz PATKCLVBKYHQEA-SSDOTTSWSA-N 1 0 301.734 0.995 20 5 DCBDRO CN(CCC[NH2+]CCc1ccns1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001569202055 1160977440 /nfs/dbraw/zinc/97/74/40/1160977440.db2.gz TUYGFFZAFDEHGO-VXGBXAGGSA-N 1 0 312.395 0.789 20 5 DCBDRO C[C@]([NH3+])(C(=O)NCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001576082180 1164234922 /nfs/dbraw/zinc/23/49/22/1164234922.db2.gz UXOMOMFRWFVZPF-DZGCQCFKSA-N 1 0 323.349 0.690 20 5 DCBDRO C[C@@]1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[NH2+]CCO1 ZINC001576507729 1164368519 /nfs/dbraw/zinc/36/85/19/1164368519.db2.gz FDKANYBDJFZRMZ-JSGCOSHPSA-N 1 0 309.322 0.123 20 5 DCBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)C1 ZINC001578523542 1165040244 /nfs/dbraw/zinc/04/02/44/1165040244.db2.gz MNAINYPOYLVXQC-HZUKXOBISA-N 1 0 318.377 0.931 20 5 DCBDRO C[NH2+]CCOCCNC(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC001578709602 1165089377 /nfs/dbraw/zinc/08/93/77/1165089377.db2.gz IQSBLVMDXCYQCG-UHFFFAOYSA-N 1 0 311.338 0.634 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2C[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001578746772 1165094157 /nfs/dbraw/zinc/09/41/57/1165094157.db2.gz SLXVNOXWBJXKCG-IUCAKERBSA-N 1 0 314.367 0.429 20 5 DCBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC001579181055 1165231770 /nfs/dbraw/zinc/23/17/70/1165231770.db2.gz VETQFNADPJDXPY-SNVBAGLBSA-N 1 0 310.310 0.706 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC001579476181 1165325115 /nfs/dbraw/zinc/32/51/15/1165325115.db2.gz UTAUKOXVWXWMHL-SNVBAGLBSA-N 1 0 303.322 0.917 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC001579869066 1165416908 /nfs/dbraw/zinc/41/69/08/1165416908.db2.gz QNRIOIFYFVAHRK-FZMZJTMJSA-N 1 0 307.354 0.891 20 5 DCBDRO [NH3+][C@@H]1C[C@@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001580167191 1165525078 /nfs/dbraw/zinc/52/50/78/1165525078.db2.gz VLMIKXQALVEYKT-KBUPBQIOSA-N 1 0 321.377 0.849 20 5 DCBDRO [NH3+][C@@H]1CN(C(=O)Nc2ccncc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC001580393290 1165592946 /nfs/dbraw/zinc/59/29/46/1165592946.db2.gz UBJRVQIBLWUJBY-RNFRBKRXSA-N 1 0 319.243 0.765 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cn(C2C[NH2+]C2)nn1 ZINC001580569680 1165641385 /nfs/dbraw/zinc/64/13/85/1165641385.db2.gz AGSWDGQNZZSLAD-UHFFFAOYSA-N 1 0 316.321 0.190 20 5 DCBDRO O=C(N1Cc2ccc([N+](=O)[O-])cc2C1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001580588082 1165646018 /nfs/dbraw/zinc/64/60/18/1165646018.db2.gz WIYYRPWZKMBMNI-IUODEOHRSA-N 1 0 303.318 0.673 20 5 DCBDRO COc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1[N+](=O)[O-] ZINC001596969933 1167998700 /nfs/dbraw/zinc/99/87/00/1167998700.db2.gz BPFZBJNYKUZRFP-XHDPSFHLSA-N 1 0 323.349 0.675 20 5 DCBDRO C[N@H+](Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-])CC(C)(C)O ZINC001604794776 1169685378 /nfs/dbraw/zinc/68/53/78/1169685378.db2.gz HOTYYZCMXBVGIZ-UHFFFAOYSA-N 1 0 306.326 0.978 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001607079143 1170381947 /nfs/dbraw/zinc/38/19/47/1170381947.db2.gz KETUEEYANRFQDT-AOOOYVTPSA-N 1 0 301.310 0.431 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC001640289206 1171873638 /nfs/dbraw/zinc/87/36/38/1171873638.db2.gz OXRWSJJYUGOUSA-MWLCHTKSSA-N 1 0 305.338 0.619 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001647836404 1173057397 /nfs/dbraw/zinc/05/73/97/1173057397.db2.gz KPSBIMBXIMMEIJ-ZDUSSCGKSA-N 1 0 311.338 0.011 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])[C@@H]2C1 ZINC001651524639 1173750669 /nfs/dbraw/zinc/75/06/69/1173750669.db2.gz BWDZCIATFOZLIU-GDPRMGEGSA-N 1 0 305.338 0.841 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC001653197481 1173783386 /nfs/dbraw/zinc/78/33/86/1173783386.db2.gz CRZBMDWSHIEEJO-LBPRGKRZSA-N 1 0 322.369 0.636 20 5 DCBDRO O=C(CC[N@H+]1C[C@H](CO)[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654687926 1173809045 /nfs/dbraw/zinc/80/90/45/1173809045.db2.gz FLWINVCBQOACRI-ZWNOBZJWSA-N 1 0 309.322 0.208 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC001654767412 1173811318 /nfs/dbraw/zinc/81/13/18/1173811318.db2.gz QVUBTSNPAWJDLC-GXTWGEPZSA-N 1 0 312.370 0.637 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@]3(CO)CCC[C@@H]23)c1 ZINC001655627437 1173823936 /nfs/dbraw/zinc/82/39/36/1173823936.db2.gz DOMCLOHYAFYBIJ-MGPQQGTHSA-N 1 0 310.354 0.389 20 5 DCBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1C[C@H](CO)[C@@H](CCO)C1 ZINC001655898380 1173829821 /nfs/dbraw/zinc/82/98/21/1173829821.db2.gz IJFZZGWFFJOKFI-QWHCGFSZSA-N 1 0 310.350 0.896 20 5 DCBDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001656744226 1173879491 /nfs/dbraw/zinc/87/94/91/1173879491.db2.gz WPYVOQILSGKRMC-UWVGGRQHSA-N 1 0 309.322 0.751 20 5 DCBDRO Cc1cc(C(=O)N(C)CC[NH2+]Cc2c([N+](=O)[O-])ncn2C)[nH]n1 ZINC001663837456 1174359691 /nfs/dbraw/zinc/35/96/91/1174359691.db2.gz GUNDPJRALSOTOB-UHFFFAOYSA-N 1 0 321.341 0.222 20 5 DCBDRO Cc1ncccc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732848377 1186010756 /nfs/dbraw/zinc/01/07/56/1186010756.db2.gz LCPPLXZQVWXDQD-DTSKHDKYSA-N 1 0 304.350 0.817 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418777061 1190391262 /nfs/dbraw/zinc/39/12/62/1190391262.db2.gz GSUWLFZIWGBBNI-SNVBAGLBSA-N 1 0 308.338 0.450 20 5 DCBDRO CCOc1nc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])ccc1[N+](=O)[O-] ZINC001167188026 747015991 /nfs/dbraw/zinc/01/59/91/747015991.db2.gz NWSWJHYIQUAWNU-HWYHXSKPSA-N 1 0 308.338 0.798 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001167671789 747492094 /nfs/dbraw/zinc/49/20/94/747492094.db2.gz NJKKXNNTSQUPHT-UHFFFAOYSA-N 1 0 310.701 0.314 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1ccc(C[NH3+])cc1=N ZINC001167688855 747617956 /nfs/dbraw/zinc/61/79/56/747617956.db2.gz ARTWVHVUKWEIAN-UHFFFAOYSA-N 1 0 317.305 0.814 20 5 DCBDRO Cc1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001086363341 760101067 /nfs/dbraw/zinc/10/10/67/760101067.db2.gz OSWWHXNOUPXLCF-FMKGYKFTSA-N 1 0 319.365 0.435 20 5 DCBDRO NC(=O)c1ccnc(-n2cc3ccc(C[NH3+])cc3n2)c1[N+](=O)[O-] ZINC001171322435 767919970 /nfs/dbraw/zinc/91/99/70/767919970.db2.gz WIPUJZZQWQVEOP-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1nnc[nH]1 ZINC001168781771 760327436 /nfs/dbraw/zinc/32/74/36/760327436.db2.gz PUTPIXGWZBAXEZ-UHFFFAOYSA-N 1 0 310.339 0.684 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)nn2)C1 ZINC001168980312 760528170 /nfs/dbraw/zinc/52/81/70/760528170.db2.gz CSSFAVTUBCKWPH-STQMWFEESA-N 1 0 321.381 0.848 20 5 DCBDRO CC(C)(C)OC(=O)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168998443 760539872 /nfs/dbraw/zinc/53/98/72/760539872.db2.gz NCBJOBDHCNSHCF-AXFHLTTASA-N 1 0 315.370 0.607 20 5 DCBDRO O=C([C@@H]1CCCO1)N1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169009739 760542689 /nfs/dbraw/zinc/54/26/89/760542689.db2.gz XVOWEKGBPDOKMR-MCIONIFRSA-N 1 0 311.382 0.755 20 5 DCBDRO CS(=O)(=O)N([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169009835 760544274 /nfs/dbraw/zinc/54/42/74/760544274.db2.gz YKQJXYRYFSBRTJ-PWSUYJOCSA-N 1 0 305.400 0.445 20 5 DCBDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169046275 760561722 /nfs/dbraw/zinc/56/17/22/760561722.db2.gz KFIWAKAPYSHGTL-UTUOFQBUSA-N 1 0 313.354 0.185 20 5 DCBDRO O=C(CCn1cncn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123659089 768041176 /nfs/dbraw/zinc/04/11/76/768041176.db2.gz DKWJQWHYQMLLNR-UHFFFAOYSA-N 1 0 318.337 0.482 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnc[nH]c1=O ZINC001130076783 763114688 /nfs/dbraw/zinc/11/46/88/763114688.db2.gz AYGDVAYRDQNCTL-UHFFFAOYSA-N 1 0 317.305 0.610 20 5 DCBDRO CN(CCNC(=O)C1(C[NH+](C)C)CC1)c1ncccc1[N+](=O)[O-] ZINC001100287973 763461315 /nfs/dbraw/zinc/46/13/15/763461315.db2.gz JADDWPXBVBWRSK-UHFFFAOYSA-N 1 0 321.381 0.884 20 5 DCBDRO Nc1nccnc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001125029255 768341422 /nfs/dbraw/zinc/34/14/22/768341422.db2.gz QKJHNOXQJQHLQZ-UHFFFAOYSA-N 1 0 322.350 0.548 20 5 DCBDRO NC(=O)CCCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001147118778 767646234 /nfs/dbraw/zinc/64/62/34/767646234.db2.gz AXOWJRYJGFCNTP-UHFFFAOYSA-N 1 0 322.365 0.846 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122062326 767708667 /nfs/dbraw/zinc/70/86/67/767708667.db2.gz BTSMOGLFHYBBJK-JTQLQIEISA-N 1 0 320.349 0.522 20 5 DCBDRO Cc1cnc(NCCNC(=O)C23CC[NH+](CC2)C3)c([N+](=O)[O-])c1 ZINC001093768807 768718762 /nfs/dbraw/zinc/71/87/62/768718762.db2.gz KBRICOADTIYEMN-UHFFFAOYSA-N 1 0 319.365 0.922 20 5 DCBDRO CC[N@H+](C)CCC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093840831 768742153 /nfs/dbraw/zinc/74/21/53/768742153.db2.gz YRBWNBKGCQCVRV-UHFFFAOYSA-N 1 0 313.333 0.999 20 5 DCBDRO C[C@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC001233621503 769412095 /nfs/dbraw/zinc/41/20/95/769412095.db2.gz XQVYXMMVXMPQGM-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C[C@@H](O)CO)c1F ZINC001173186281 769556359 /nfs/dbraw/zinc/55/63/59/769556359.db2.gz PKWQHLSGVFTHAQ-NXEZZACHSA-N 1 0 316.329 0.959 20 5 DCBDRO O=C1OC[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC001175113056 769860752 /nfs/dbraw/zinc/86/07/52/769860752.db2.gz XJCXBTDAHHNFIK-SRVKXCTJSA-N 1 0 322.317 0.439 20 5 DCBDRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001175362510 769890156 /nfs/dbraw/zinc/89/01/56/769890156.db2.gz WAFSBKQKKJUDOE-LBPRGKRZSA-N 1 0 324.385 0.883 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902014 770242397 /nfs/dbraw/zinc/24/23/97/770242397.db2.gz FCKFFAYEWFCEKC-QWRGUYRKSA-N 1 0 305.338 0.881 20 5 DCBDRO CCOC(=O)[C@]12CN(c3cccc([N+](=O)[O-])n3)C[C@H]1C[NH2+]CC2 ZINC001154688162 770265324 /nfs/dbraw/zinc/26/53/24/770265324.db2.gz UJAOMLXVSHMMJB-IAQYHMDHSA-N 1 0 320.349 0.969 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1nc2ccccc2cc1[N+](=O)[O-] ZINC001154771081 770290912 /nfs/dbraw/zinc/29/09/12/770290912.db2.gz ZIIBJIYKIZRFEB-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)c1 ZINC001155591953 770558445 /nfs/dbraw/zinc/55/84/45/770558445.db2.gz LLWJNDDDUUQZFQ-SMDDNHRTSA-N 1 0 308.338 0.799 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC1([NH+](C)C)CCN(C)CC1 ZINC001156184886 770741901 /nfs/dbraw/zinc/74/19/01/770741901.db2.gz HTSVOJFAYCNTIM-UHFFFAOYSA-N 1 0 323.397 0.975 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@H]2CCCCO2)ncnc1N1CC[NH2+]CC1 ZINC001156370551 770798895 /nfs/dbraw/zinc/79/88/95/770798895.db2.gz ZXRYTKCOOYMMFR-LLVKDONJSA-N 1 0 322.369 0.775 20 5 DCBDRO NC(=O)C(=O)NCCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001179440722 771006452 /nfs/dbraw/zinc/00/64/52/771006452.db2.gz GHXJAXMCMIOYIY-UHFFFAOYSA-N 1 0 322.365 0.846 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001157116181 771539421 /nfs/dbraw/zinc/53/94/21/771539421.db2.gz LDGDOKBJRGFXPA-SSDOTTSWSA-N 1 0 318.717 0.574 20 5 DCBDRO CCC1(CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])COC1 ZINC001157541542 771629499 /nfs/dbraw/zinc/62/94/99/771629499.db2.gz IHINKWYHFVLEGJ-UHFFFAOYSA-N 1 0 322.369 0.633 20 5 DCBDRO CC(C)(C)[C@H](CO)Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157750090 771663824 /nfs/dbraw/zinc/66/38/24/771663824.db2.gz BAEUDQTWZIXGFX-JTQLQIEISA-N 1 0 324.385 0.613 20 5 DCBDRO COc1ccnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157760324 771664436 /nfs/dbraw/zinc/66/44/36/771664436.db2.gz BYRLNWIAEQDPST-CHWSQXEVSA-N 1 0 308.338 0.351 20 5 DCBDRO O=C(NCCC[NH2+]CCOCc1ccccc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767234 771665735 /nfs/dbraw/zinc/66/57/35/771665735.db2.gz JOIRVGFORZXPCA-HUUCEWRRSA-N 1 0 321.377 0.964 20 5 DCBDRO O=C(NCCC[NH2+]Cc1cc(C2CC2)no1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157766818 771666028 /nfs/dbraw/zinc/66/60/28/771666028.db2.gz ABKUGFIWDSZPAB-DGCLKSJQSA-N 1 0 308.338 0.813 20 5 DCBDRO CCO[C@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)C[NH+](C)C ZINC001184247057 771763468 /nfs/dbraw/zinc/76/34/68/771763468.db2.gz UNUSSNDJJLVTEG-SNVBAGLBSA-N 1 0 313.358 0.333 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccc([C@@H](C)[NH3+])n2)n1 ZINC001158356872 771763989 /nfs/dbraw/zinc/76/39/89/771763989.db2.gz VVBSPNWKUMZIKX-ZCFIWIBFSA-N 1 0 305.298 0.857 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001158634233 771796888 /nfs/dbraw/zinc/79/68/88/771796888.db2.gz AIRWTBPPDWMIFL-RISCZKNCSA-N 1 0 324.312 0.860 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159679670 771943448 /nfs/dbraw/zinc/94/34/48/771943448.db2.gz VKCBLXCWYBJMQW-LDYMZIIASA-N 1 0 310.310 0.159 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001159865263 771971225 /nfs/dbraw/zinc/97/12/25/771971225.db2.gz XAHWZUUVIYXVCJ-UHFFFAOYSA-N 1 0 318.717 0.210 20 5 DCBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001161197740 772183587 /nfs/dbraw/zinc/18/35/87/772183587.db2.gz GAYUIJPJKDNERS-ZDUSSCGKSA-N 1 0 311.342 0.005 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1cc2cccnc2c([N+](=O)[O-])c1 ZINC001162128274 772330114 /nfs/dbraw/zinc/33/01/14/772330114.db2.gz AZDKKZXVELLBQS-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC001162391183 772367498 /nfs/dbraw/zinc/36/74/98/772367498.db2.gz AKZSSCCOYVNIQG-WDEREUQCSA-N 1 0 322.369 0.903 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)n1 ZINC001162803387 772420745 /nfs/dbraw/zinc/42/07/45/772420745.db2.gz RFUCILQZJVWDLK-IVZWLZJFSA-N 1 0 304.306 0.962 20 5 DCBDRO [NH3+][C@H]1COC[C@H]1Nc1cc([N+](=O)[O-])cc(Br)[n+]1[O-] ZINC001162921127 772432322 /nfs/dbraw/zinc/43/23/22/772432322.db2.gz KZARMQQGLAKJRB-NKWVEPMBSA-N 1 0 319.115 0.129 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NCC[C@H]2CCOC23C[NH2+]C3)c1F ZINC001163079637 772455741 /nfs/dbraw/zinc/45/57/41/772455741.db2.gz BXZZTYOZBFVZPL-VIFPVBQESA-N 1 0 312.301 0.548 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163081923 772457143 /nfs/dbraw/zinc/45/71/43/772457143.db2.gz NXBSAWNPUIHKMM-LLVKDONJSA-N 1 0 322.321 0.567 20 5 DCBDRO COc1nc(NC[C@]23C[NH2+]C[C@H]2COC3)nc(C)c1[N+](=O)[O-] ZINC001163147738 772472027 /nfs/dbraw/zinc/47/20/27/772472027.db2.gz JSGZQZZDVCAUEW-ZANVPECISA-N 1 0 309.326 0.350 20 5 DCBDRO Cn1nnc(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001164148090 772617082 /nfs/dbraw/zinc/61/70/82/772617082.db2.gz JVMZDQOBXYALQY-UHFFFAOYSA-N 1 0 319.325 0.028 20 5 DCBDRO C[C@@H]1CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C[C@H]1F ZINC001164175540 772621216 /nfs/dbraw/zinc/62/12/16/772621216.db2.gz YGKFXLUQMCANPS-GHMZBOCLSA-N 1 0 324.360 0.979 20 5 DCBDRO CN(C)C1(CNc2cc([N+](=O)[O-])c(=O)n(C)c2)CC[NH+](C)CC1 ZINC001164210860 772626570 /nfs/dbraw/zinc/62/65/70/772626570.db2.gz KAXVMTHBCFELQZ-UHFFFAOYSA-N 1 0 323.397 0.731 20 5 DCBDRO Cn1ccc(C[NH2+]CC2(CCNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001164490668 772668230 /nfs/dbraw/zinc/66/82/30/772668230.db2.gz QLXJHEMOIDLXLA-CHWSQXEVSA-N 1 0 321.381 0.461 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001165152495 772701656 /nfs/dbraw/zinc/70/16/56/772701656.db2.gz URFBDQNWVPZQLF-NXEZZACHSA-N 1 0 306.322 0.774 20 5 DCBDRO COCc1nn(-c2nc(OC)nc(C)c2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165634010 772752206 /nfs/dbraw/zinc/75/22/06/772752206.db2.gz ZDULBNMELIIXAE-UHFFFAOYSA-N 1 0 320.309 0.637 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH3+])C(F)(F)C2)n1 ZINC001166961730 772889688 /nfs/dbraw/zinc/88/96/88/772889688.db2.gz QYMFGZBBDOKSAJ-ZETCQYMHSA-N 1 0 303.269 0.875 20 5 DCBDRO COC(=O)C1(Nc2cc([N+](=O)[O-])c3nncn3c2)CC[NH2+]CC1 ZINC001166967739 772891619 /nfs/dbraw/zinc/89/16/19/772891619.db2.gz KYVUETFLDDZELK-UHFFFAOYSA-N 1 0 320.309 0.345 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN1C ZINC001195136358 773333534 /nfs/dbraw/zinc/33/35/34/773333534.db2.gz IZAKOTGQXVCSRA-SNVBAGLBSA-N 1 0 315.351 0.586 20 5 DCBDRO Nc1ccc2n(C(=O)[C@@H]3C[NH2+]C[C@@H]3O)c3ccccc3cc-2c1=O ZINC001219255462 774424810 /nfs/dbraw/zinc/42/48/10/774424810.db2.gz AIHVDNRVMMILEB-WBMJQRKESA-N 1 0 323.352 0.909 20 5 DCBDRO COC(=O)c1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)nc1 ZINC001222966149 775446745 /nfs/dbraw/zinc/44/67/45/775446745.db2.gz FGTMETMAVIEHIP-CYBMUJFWSA-N 1 0 311.358 0.369 20 5 DCBDRO COC(=O)c1cncc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001223489980 775494786 /nfs/dbraw/zinc/49/47/86/775494786.db2.gz LXPMMUSQEYCTQR-CYBMUJFWSA-N 1 0 311.358 0.369 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2c1NC(=O)CO2 ZINC001226636450 775851825 /nfs/dbraw/zinc/85/18/25/775851825.db2.gz HVLZLLSIRSJOAI-SNVBAGLBSA-O 1 0 309.342 0.380 20 5 DCBDRO COc1cc(O)cc(OC)c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227249708 775949897 /nfs/dbraw/zinc/94/98/97/775949897.db2.gz MGNKOFNFJQWWGB-LLVKDONJSA-O 1 0 314.358 0.772 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc2c1CCNC2=O ZINC001229518960 776197427 /nfs/dbraw/zinc/19/74/27/776197427.db2.gz BTHNHEJECITDBJ-LLVKDONJSA-O 1 0 307.370 0.335 20 5 DCBDRO Cc1cc(C)n(CC[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001480862835 939033347 /nfs/dbraw/zinc/03/33/47/939033347.db2.gz FVCIEYKAJIHIDI-CHWSQXEVSA-N 1 0 309.370 0.213 20 5 DCBDRO Cc1nn(C)cc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268541639 940225605 /nfs/dbraw/zinc/22/56/05/940225605.db2.gz LMOSNUGZLMXPBS-FGTRRKKMSA-N 1 0 307.354 0.156 20 5 DCBDRO Cn1cncc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001482218636 940708721 /nfs/dbraw/zinc/70/87/21/940708721.db2.gz SAOWZAFHGNVBNS-CHWSQXEVSA-N 1 0 321.381 0.604 20 5 DCBDRO CN(CC(C)(C)C[NH2+]CCn1cncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485250925 943772108 /nfs/dbraw/zinc/77/21/08/943772108.db2.gz UJCNXJXYFAKIIQ-VXGBXAGGSA-N 1 0 324.385 0.018 20 5 DCBDRO Cc1nn(C)c(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1[N+](=O)[O-] ZINC001319873988 945685955 /nfs/dbraw/zinc/68/59/55/945685955.db2.gz WZNVDGLGUNKGEI-UHFFFAOYSA-N 1 0 321.341 0.647 20 5 DCBDRO O=C(NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1)c1nnc[nH]1 ZINC001323580750 947133591 /nfs/dbraw/zinc/13/35/91/947133591.db2.gz WPUVJXLKNJAFRV-UHFFFAOYSA-N 1 0 316.321 0.765 20 5 DCBDRO C[C@@H]1C[C@H](N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001324267989 947373458 /nfs/dbraw/zinc/37/34/58/947373458.db2.gz SZCMZCRRZJWRHB-VXGBXAGGSA-N 1 0 322.365 0.698 20 5 DCBDRO Cc1n[nH]c(=O)c(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1C ZINC001326147928 948072191 /nfs/dbraw/zinc/07/21/91/948072191.db2.gz VSEDKVCWTMPYQK-NSHDSACASA-N 1 0 322.325 0.054 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001329445992 949600038 /nfs/dbraw/zinc/60/00/38/949600038.db2.gz FDQBDYNZWHOWSX-WDEREUQCSA-N 1 0 322.365 0.886 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC001330520541 950479957 /nfs/dbraw/zinc/47/99/57/950479957.db2.gz PVHUSBSQIWKSRL-SNVBAGLBSA-N 1 0 322.365 0.968 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001333355088 952020230 /nfs/dbraw/zinc/02/02/30/952020230.db2.gz YYPBVGPZNAYAMA-NEPJUHHUSA-N 1 0 320.349 0.357 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC001335215481 952488864 /nfs/dbraw/zinc/48/88/64/952488864.db2.gz DCMODBAYXONDAE-UHFFFAOYSA-N 1 0 324.337 0.027 20 5 DCBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001335229849 952493386 /nfs/dbraw/zinc/49/33/86/952493386.db2.gz JAANMCKUVWUZBU-CMPLNLGQSA-N 1 0 320.349 0.120 20 5 DCBDRO CC[NH+]1CCN(C2CN(c3ncc([N+](=O)[O-])c(C)n3)C2)CC1 ZINC001338116345 952966765 /nfs/dbraw/zinc/96/67/65/952966765.db2.gz VVRXNDPWQUXQPE-UHFFFAOYSA-N 1 0 306.370 0.519 20 5 DCBDRO CCOC(=O)c1cc(C(=O)NOC[C@@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001342061116 953267400 /nfs/dbraw/zinc/26/74/00/953267400.db2.gz UIRFSZYEONTLKL-MRVPVSSYSA-N 1 0 311.294 0.780 20 5 DCBDRO CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC001342175973 953274688 /nfs/dbraw/zinc/27/46/88/953274688.db2.gz XIQBJNGQBGWVJZ-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO CC[N@@H+]1CCCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1 ZINC001345150896 953600448 /nfs/dbraw/zinc/60/04/48/953600448.db2.gz JTHWZSVEZVZADD-UHFFFAOYSA-N 1 0 308.386 0.997 20 5 DCBDRO COCC[NH2+]CCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345153204 953601293 /nfs/dbraw/zinc/60/12/93/953601293.db2.gz JHHKEPIGNADRAR-UHFFFAOYSA-N 1 0 308.338 0.856 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC001347176125 954039511 /nfs/dbraw/zinc/03/95/11/954039511.db2.gz ZOTVKMYJFPQWSJ-HNNXBMFYSA-N 1 0 307.350 0.662 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001348128474 954204038 /nfs/dbraw/zinc/20/40/38/954204038.db2.gz VQCFVCPPRPPFGP-GRYCIOLGSA-N 1 0 307.354 0.556 20 5 DCBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001349879681 954919935 /nfs/dbraw/zinc/91/99/35/954919935.db2.gz JZUNGYGBKGLFOH-GFCCVEGCSA-N 1 0 324.381 0.993 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC001351259375 955274428 /nfs/dbraw/zinc/27/44/28/955274428.db2.gz DTDKWJSUOWJOKY-NSHDSACASA-N 1 0 309.370 0.948 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001353286911 956006352 /nfs/dbraw/zinc/00/63/52/956006352.db2.gz YWADLRCOPRGMSX-WCFLWFBJSA-N 1 0 321.381 0.983 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC001357474607 957295137 /nfs/dbraw/zinc/29/51/37/957295137.db2.gz PGOJXFINEQDUTO-CHWSQXEVSA-N 1 0 321.381 0.948 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H](CO)c1cncn1C ZINC001301544860 960002310 /nfs/dbraw/zinc/00/23/10/960002310.db2.gz DDYKZKDFIRWFSQ-JTQLQIEISA-N 1 0 322.325 0.073 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC001302246742 960016852 /nfs/dbraw/zinc/01/68/52/960016852.db2.gz BZVYCGQBFGLXAX-VIFPVBQESA-N 1 0 323.353 0.147 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001304083890 960077284 /nfs/dbraw/zinc/07/72/84/960077284.db2.gz LAWUSSKHLGWHCM-NSHDSACASA-N 1 0 323.353 0.079 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCNCC[NH2+]CC2)c1 ZINC001522998926 1014510811 /nfs/dbraw/zinc/51/08/11/1014510811.db2.gz NPNFBYNPQFIWRT-UHFFFAOYSA-N 1 0 308.338 0.238 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cc(C)n1 ZINC001465541644 1016009122 /nfs/dbraw/zinc/00/91/22/1016009122.db2.gz OMFCGTQRLFPFRK-UHFFFAOYSA-N 1 0 310.354 0.996 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)n1 ZINC001468318132 1016243973 /nfs/dbraw/zinc/24/39/73/1016243973.db2.gz YPIFPXYGGKTKEX-GFCCVEGCSA-N 1 0 322.365 0.875 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC001473390247 1016927829 /nfs/dbraw/zinc/92/78/29/1016927829.db2.gz DHXNYBAZUVZGGT-LOWVWBTDSA-N 1 0 307.354 0.686 20 5 DCBDRO CC1(C)C[C@H](O)CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001473476855 1016935364 /nfs/dbraw/zinc/93/53/64/1016935364.db2.gz QIMDVQHNMWTGOR-OLZOCXBDSA-N 1 0 312.370 0.635 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2C[C@H](CCO)[C@H](CO)C2)c1 ZINC001473892988 1016986127 /nfs/dbraw/zinc/98/61/27/1016986127.db2.gz MSVTYSVNFNKHDC-KCQAQPDRSA-N 1 0 310.350 0.551 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001442676084 1009610108 /nfs/dbraw/zinc/61/01/08/1009610108.db2.gz ZLDBBDDJHUIOBD-VXGBXAGGSA-N 1 0 323.353 0.079 20 5 DCBDRO CNc1nccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001456305271 1010180904 /nfs/dbraw/zinc/18/09/04/1010180904.db2.gz RJDKYNYRLRYMEG-VIFPVBQESA-N 1 0 321.337 0.234 20 5 DCBDRO O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)C[C@H]1C[NH2+]CCO1 ZINC001574440765 1163725980 /nfs/dbraw/zinc/72/59/80/1163725980.db2.gz IICMAXJINJMAPE-MRVPVSSYSA-N 1 0 320.298 0.431 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cc(C)n2)CC1 ZINC001443497950 1010452106 /nfs/dbraw/zinc/45/21/06/1010452106.db2.gz QLFPNLARCRPKEJ-UHFFFAOYSA-N 1 0 321.381 0.666 20 5 DCBDRO COC1(OC)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@@H]1O ZINC001560103410 1012440814 /nfs/dbraw/zinc/44/08/14/1012440814.db2.gz OOJFYRCDOLBRGR-NSHDSACASA-N 1 0 314.342 0.155 20 5 DCBDRO Cn1cc(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nn1 ZINC001560066354 1012442282 /nfs/dbraw/zinc/44/22/82/1012442282.db2.gz RMSLTVXNYVBVMZ-AWEZNQCLSA-N 1 0 305.338 0.763 20 5 DCBDRO Nc1ncc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001543013668 1012496974 /nfs/dbraw/zinc/49/69/74/1012496974.db2.gz SIQZKAWSUJNHRF-GHMZBOCLSA-N 1 0 305.338 0.929 20 5 DCBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H](O)C3(O)CCC3)C2)nc1 ZINC001459701283 1012816990 /nfs/dbraw/zinc/81/69/90/1012816990.db2.gz SRMTZGMPASOMDQ-DGCLKSJQSA-N 1 0 322.365 0.752 20 5 DCBDRO CCC(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001460778261 1012966952 /nfs/dbraw/zinc/96/69/52/1012966952.db2.gz LAVPKQWGSCTKGA-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO C[C@@]12CSC[C@@H]1C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001460898701 1012984997 /nfs/dbraw/zinc/98/49/97/1012984997.db2.gz HVKRYZQALRFGTN-CYZMBNFOSA-N 1 0 312.395 0.837 20 5 DCBDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001521333901 1017348967 /nfs/dbraw/zinc/34/89/67/1017348967.db2.gz PRTGPEIBFRLAQE-QMTHXVAHSA-N 1 0 307.350 0.696 20 5 DCBDRO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001522281220 1017477049 /nfs/dbraw/zinc/47/70/49/1017477049.db2.gz XCCJBMNNHSNENE-PKFCDNJMSA-N 1 0 316.317 0.661 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001635993471 1171721706 /nfs/dbraw/zinc/72/17/06/1171721706.db2.gz OWUMUCVXYWACSK-MRVPVSSYSA-N 1 0 316.745 0.483 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OCC(N)=O)CC1 ZINC001644759698 1172019788 /nfs/dbraw/zinc/01/97/88/1172019788.db2.gz XQCNHHWQQVMJCX-UHFFFAOYSA-N 1 0 311.342 0.066 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000415293892 529730276 /nfs/dbraw/zinc/73/02/76/529730276.db2.gz FCRYQMQSOQWYQW-LLVKDONJSA-N 1 0 320.349 0.916 20 5 DCBDRO CC(C)OC(=O)[C@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566112448 291271262 /nfs/dbraw/zinc/27/12/62/291271262.db2.gz OFYKIEHDYQDUMG-PWSUYJOCSA-N 1 0 314.342 0.330 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289167756 283803457 /nfs/dbraw/zinc/80/34/57/283803457.db2.gz HJRKKYJMRCFAHS-CQSZACIVSA-N 1 0 307.354 0.784 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC000420437993 240030258 /nfs/dbraw/zinc/03/02/58/240030258.db2.gz QQVXNRMXZNIELJ-GWCFXTLKSA-N 1 0 313.379 0.746 20 5 DCBDRO CNC(=O)CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566968714 291330746 /nfs/dbraw/zinc/33/07/46/291330746.db2.gz FDXUCHKQFBEDAK-NSHDSACASA-N 1 0 311.338 0.450 20 5 DCBDRO CN(CC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000274794543 211940143 /nfs/dbraw/zinc/94/01/43/211940143.db2.gz NSNHZJYWTVDIEA-NSHDSACASA-N 1 0 308.338 0.217 20 5 DCBDRO COC(=O)[C@]1(C)C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000282730143 217207255 /nfs/dbraw/zinc/20/72/55/217207255.db2.gz MOFCLFYOWDUXNN-IAQYHMDHSA-N 1 0 323.349 0.888 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000266058179 205064661 /nfs/dbraw/zinc/06/46/61/205064661.db2.gz UGAXXONCCWEZOG-UHFFFAOYSA-N 1 0 320.393 0.843 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000266183123 205165858 /nfs/dbraw/zinc/16/58/58/205165858.db2.gz YZXBVFWTJKCHKP-CQSZACIVSA-N 1 0 306.366 0.499 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000573075186 291608479 /nfs/dbraw/zinc/60/84/79/291608479.db2.gz JBHAGPOZRAORSR-LLVKDONJSA-N 1 0 310.354 0.510 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2cccc(F)c2)c1 ZINC000573953882 291665571 /nfs/dbraw/zinc/66/55/71/291665571.db2.gz OHXUIPNFNPDLHW-CYBMUJFWSA-N 1 0 324.312 0.960 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000261693685 284669434 /nfs/dbraw/zinc/66/94/34/284669434.db2.gz JIIBYXQUECAMFR-JTQLQIEISA-N 1 0 322.321 0.224 20 5 DCBDRO CCCN(CC[NH+](C)C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000104531445 194014653 /nfs/dbraw/zinc/01/46/53/194014653.db2.gz ZNLXMPPEBZJVDA-UHFFFAOYSA-N 1 0 310.354 0.557 20 5 DCBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000110994327 194379089 /nfs/dbraw/zinc/37/90/89/194379089.db2.gz RZEFPHSDCDADCI-LBPRGKRZSA-N 1 0 322.365 0.747 20 5 DCBDRO CCNC(=O)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000339325073 253062977 /nfs/dbraw/zinc/06/29/77/253062977.db2.gz DZPOHBPXGAVLHX-CYBMUJFWSA-N 1 0 310.354 0.507 20 5 DCBDRO O=C1NC(=O)C2(CC[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC2)N1 ZINC000340726536 253296356 /nfs/dbraw/zinc/29/63/56/253296356.db2.gz LLBAMKCXQDRASY-UHFFFAOYSA-N 1 0 322.296 0.908 20 5 DCBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346154014 254016334 /nfs/dbraw/zinc/01/63/34/254016334.db2.gz ILBAIENOAIZIOQ-AVGNSLFASA-N 1 0 321.381 0.980 20 5 DCBDRO O=C(CCOC1C[NH2+]C1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000349029047 254270706 /nfs/dbraw/zinc/27/07/06/254270706.db2.gz PJZNXJGEINRWFZ-UHFFFAOYSA-N 1 0 308.338 0.501 20 5 DCBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cn3cnc([N+](=O)[O-])n3)cc2C1 ZINC000349053884 254270851 /nfs/dbraw/zinc/27/08/51/254270851.db2.gz NCUNSIWFEIIRAE-SECBINFHSA-N 1 0 317.309 0.036 20 5 DCBDRO C[C@@H](O)C[N@H+](CCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361017 131377800 /nfs/dbraw/zinc/37/78/00/131377800.db2.gz AHCWOJIOIVIEDD-NEPJUHHUSA-N 1 0 314.338 0.010 20 5 DCBDRO COc1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000293080509 131706202 /nfs/dbraw/zinc/70/62/02/131706202.db2.gz SJEORVZULSKRQY-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087026741 395705303 /nfs/dbraw/zinc/70/53/03/395705303.db2.gz YAOKYEYLWIJUDC-UHFFFAOYSA-N 1 0 320.393 0.891 20 5 DCBDRO COc1ccc(S(=O)(=O)NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000037714714 395728358 /nfs/dbraw/zinc/72/83/58/395728358.db2.gz WBYJKCHOGHLDQP-UHFFFAOYSA-N 1 0 303.340 0.621 20 5 DCBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000273058483 395901622 /nfs/dbraw/zinc/90/16/22/395901622.db2.gz SHTXOAVMUNDALV-SECBINFHSA-N 1 0 307.306 0.705 20 5 DCBDRO C[NH2+]CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237199715 395906001 /nfs/dbraw/zinc/90/60/01/395906001.db2.gz NBLNXOHHUIDGEF-UHFFFAOYSA-N 1 0 312.351 0.160 20 5 DCBDRO C[NH2+]CCCN(C)S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000127098161 395915191 /nfs/dbraw/zinc/91/51/91/395915191.db2.gz CLOSAGSMVALBKC-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO Cc1cccc(C(=O)NCCCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000237604314 395916908 /nfs/dbraw/zinc/91/69/08/395916908.db2.gz HMUKQDJHTBUPFX-UHFFFAOYSA-N 1 0 306.366 0.928 20 5 DCBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCCN1CC[NH2+]CC1 ZINC000238067181 395920690 /nfs/dbraw/zinc/92/06/90/395920690.db2.gz LSZYNOOGHCQDHV-UHFFFAOYSA-N 1 0 320.393 0.939 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCN1CC[NH2+]CC1 ZINC000238105139 395921266 /nfs/dbraw/zinc/92/12/66/395921266.db2.gz JBWGGRPJJSINAK-UHFFFAOYSA-N 1 0 306.366 0.549 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068203739 396049071 /nfs/dbraw/zinc/04/90/71/396049071.db2.gz GDSNJABRTLEDTR-NWDGAFQWSA-N 1 0 307.354 0.843 20 5 DCBDRO CN(CCC[NH3+])C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000158749326 396065085 /nfs/dbraw/zinc/06/50/85/396065085.db2.gz GMLDXMODFGFJKG-JTQLQIEISA-N 1 0 324.337 0.600 20 5 DCBDRO Nc1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262052279 396093833 /nfs/dbraw/zinc/09/38/33/396093833.db2.gz MSXGYGCADMPNDS-LBPRGKRZSA-N 1 0 319.365 0.297 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278652659 396137276 /nfs/dbraw/zinc/13/72/76/396137276.db2.gz HKWWZCXPDXUJEW-STQMWFEESA-N 1 0 309.322 0.269 20 5 DCBDRO C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)CC1=O ZINC000074165193 396159309 /nfs/dbraw/zinc/15/93/09/396159309.db2.gz KVKXPAOICLUWJB-NSHDSACASA-N 1 0 320.349 0.943 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178525168 396198804 /nfs/dbraw/zinc/19/88/04/396198804.db2.gz OTIKZVQICIMSOJ-GHMZBOCLSA-N 1 0 320.349 0.520 20 5 DCBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000179152915 396223432 /nfs/dbraw/zinc/22/34/32/396223432.db2.gz FCLGNOYTVILFRD-JQWIXIFHSA-N 1 0 312.326 0.180 20 5 DCBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000080695372 396284196 /nfs/dbraw/zinc/28/41/96/396284196.db2.gz UYFXLOOXDDVGNY-NSHDSACASA-N 1 0 324.385 0.904 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000267043529 396354235 /nfs/dbraw/zinc/35/42/35/396354235.db2.gz FUSCYHZAVQPNPU-UHFFFAOYSA-N 1 0 311.313 0.920 20 5 DCBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](O)C[C@H]2CO)cccc1[N+](=O)[O-] ZINC000186507280 396351203 /nfs/dbraw/zinc/35/12/03/396351203.db2.gz CXIZTZPXYIWEPS-RYUDHWBXSA-N 1 0 323.349 0.659 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@H](C)C1 ZINC000192800160 396438128 /nfs/dbraw/zinc/43/81/28/396438128.db2.gz PPPFZLBHIDTBTL-GHMZBOCLSA-N 1 0 320.353 0.529 20 5 DCBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000290759597 396471892 /nfs/dbraw/zinc/47/18/92/396471892.db2.gz ZQDPNITXPNZCRS-UHFFFAOYSA-N 1 0 312.374 0.273 20 5 DCBDRO O=C1C[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CN1 ZINC000595289973 396581451 /nfs/dbraw/zinc/58/14/51/396581451.db2.gz ILMDJZCEEHDZKS-GFCCVEGCSA-N 1 0 304.350 0.853 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)nc1 ZINC000595101221 396548641 /nfs/dbraw/zinc/54/86/41/396548641.db2.gz ADXLYRAAWVVOER-SECBINFHSA-N 1 0 300.340 0.268 20 5 DCBDRO [NH3+]CCC1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000581493755 396560516 /nfs/dbraw/zinc/56/05/16/396560516.db2.gz HPXWFAHVPWJMAX-UHFFFAOYSA-N 1 0 314.367 0.739 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000595245522 396569507 /nfs/dbraw/zinc/56/95/07/396569507.db2.gz UITUQJAIYZUJQT-SSDOTTSWSA-N 1 0 314.729 0.911 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000588137643 396679818 /nfs/dbraw/zinc/67/98/18/396679818.db2.gz UNXHFHCDAHWQLN-VIFPVBQESA-N 1 0 317.367 0.832 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1COCCO1 ZINC000562988997 396691245 /nfs/dbraw/zinc/69/12/45/396691245.db2.gz VGYCNXHRTMDZAY-VXGBXAGGSA-N 1 0 312.322 0.340 20 5 DCBDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000588977095 396701637 /nfs/dbraw/zinc/70/16/37/396701637.db2.gz AMIAMVIYFROSMS-VIFPVBQESA-N 1 0 306.322 0.391 20 5 DCBDRO COc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000596014016 396708247 /nfs/dbraw/zinc/70/82/47/396708247.db2.gz KKCXYWBQFAVCGJ-VHSXEESVSA-N 1 0 306.322 0.352 20 5 DCBDRO Cc1noc(CSc2nnnn2CC[NH+](C)C)c1[N+](=O)[O-] ZINC000596018773 396708889 /nfs/dbraw/zinc/70/88/89/396708889.db2.gz CLPDDOMEXADROO-UHFFFAOYSA-N 1 0 313.343 0.732 20 5 DCBDRO CC1(C)CN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@@H+]1CCO ZINC000302569650 396720366 /nfs/dbraw/zinc/72/03/66/396720366.db2.gz YLEALNXMLOZCPW-UHFFFAOYSA-N 1 0 320.353 0.530 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596129855 396722349 /nfs/dbraw/zinc/72/23/49/396722349.db2.gz RRAJBBTYZISNQK-CQSZACIVSA-N 1 0 322.321 0.410 20 5 DCBDRO CN1CCN(C(=O)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000314706447 396784657 /nfs/dbraw/zinc/78/46/57/396784657.db2.gz AXXYFJJWVSMHAT-UHFFFAOYSA-N 1 0 306.366 0.501 20 5 DCBDRO C[N@H+](CCCO)C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000304543555 396731392 /nfs/dbraw/zinc/73/13/92/396731392.db2.gz RYKFBYXBLUCKAR-UHFFFAOYSA-N 1 0 311.386 0.570 20 5 DCBDRO COc1cc(C(=O)N[C@H](CO)C[NH+](C)C)cc([N+](=O)[O-])c1C ZINC000590369822 396762708 /nfs/dbraw/zinc/76/27/08/396762708.db2.gz OCRZRENANCHIGE-NSHDSACASA-N 1 0 311.338 0.564 20 5 DCBDRO CSc1ccc(C(=O)N[C@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000590370271 396763754 /nfs/dbraw/zinc/76/37/54/396763754.db2.gz XMGFOAXPQJSXPM-JTQLQIEISA-N 1 0 313.379 0.969 20 5 DCBDRO COc1ccc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000316823217 396798036 /nfs/dbraw/zinc/79/80/36/396798036.db2.gz YKEAVUFOAZFRNB-LLVKDONJSA-N 1 0 308.338 0.318 20 5 DCBDRO C[C@@H]1[C@H](O)CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000590762374 396836221 /nfs/dbraw/zinc/83/62/21/396836221.db2.gz RUXPRYPIAJZIGP-LDYMZIIASA-N 1 0 323.305 0.717 20 5 DCBDRO O=C1NCCC[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590971697 396861054 /nfs/dbraw/zinc/86/10/54/396861054.db2.gz GWKNFMGRALBRAC-SNVBAGLBSA-N 1 0 321.333 0.982 20 5 DCBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](C)O ZINC000564205023 396814852 /nfs/dbraw/zinc/81/48/52/396814852.db2.gz UKEQROCUYBNKQW-ZJUUUORDSA-N 1 0 317.367 0.232 20 5 DCBDRO CN(CC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600531190 396885817 /nfs/dbraw/zinc/88/58/17/396885817.db2.gz FIMXOEKNARUCCH-GFCCVEGCSA-N 1 0 322.365 0.214 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000591353237 396905741 /nfs/dbraw/zinc/90/57/41/396905741.db2.gz CTJTVLYNNURNCR-BXUZGUMPSA-N 1 0 322.365 0.895 20 5 DCBDRO CCn1nncc1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000600745969 396935661 /nfs/dbraw/zinc/93/56/61/396935661.db2.gz RGOJAKASBFBRLJ-LBPRGKRZSA-N 1 0 321.337 0.736 20 5 DCBDRO Nc1c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc(F)cc1[N+](=O)[O-] ZINC000600807584 396945799 /nfs/dbraw/zinc/94/57/99/396945799.db2.gz IVKNSNCJWHBFBQ-VIFPVBQESA-N 1 0 312.301 0.113 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600809672 396948403 /nfs/dbraw/zinc/94/84/03/396948403.db2.gz WJIWFFVAADYYQL-VIFPVBQESA-N 1 0 323.305 0.120 20 5 DCBDRO COCC[N@H+](C)C[C@H](O)COc1ccc([N+](=O)[O-])c(OC)c1 ZINC000571416812 396950044 /nfs/dbraw/zinc/95/00/44/396950044.db2.gz IFIPJRQOYWCIJT-NSHDSACASA-N 1 0 314.338 0.921 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000612030333 396983556 /nfs/dbraw/zinc/98/35/56/396983556.db2.gz CWRAXSFRDAWKBT-JHJVBQTASA-N 1 0 307.350 0.486 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000597653499 397045111 /nfs/dbraw/zinc/04/51/11/397045111.db2.gz KCDLTDJTCBDXGF-GFCCVEGCSA-N 1 0 309.366 0.911 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592386847 397166748 /nfs/dbraw/zinc/16/67/48/397166748.db2.gz JHDIMNKXPVYIQK-SECBINFHSA-N 1 0 300.340 0.410 20 5 DCBDRO O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000592478744 397187316 /nfs/dbraw/zinc/18/73/16/397187316.db2.gz JTWHCLLOPXGKAP-UPJWGTAASA-N 1 0 316.361 0.994 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592552686 397212256 /nfs/dbraw/zinc/21/22/56/397212256.db2.gz GKYJREOXSCWAEO-NSHDSACASA-N 1 0 322.321 0.154 20 5 DCBDRO CN(CCC[NH3+])C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665141 397271017 /nfs/dbraw/zinc/27/10/17/397271017.db2.gz SKLMHMLVTZUNTP-UHFFFAOYSA-N 1 0 309.326 0.524 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000381518757 397272132 /nfs/dbraw/zinc/27/21/32/397272132.db2.gz WUNFMPAPHGNVMY-JGVFFNPUSA-N 1 0 303.340 0.617 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000598914451 397307552 /nfs/dbraw/zinc/30/75/52/397307552.db2.gz DXIPWMCQYNTUKS-SKDRFNHKSA-N 1 0 306.322 0.729 20 5 DCBDRO O=C(NCC[C@H]1CC[NH2+]C1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914407 397307556 /nfs/dbraw/zinc/30/75/56/397307556.db2.gz CJDPMKIMVLZQDY-SNVBAGLBSA-N 1 0 306.322 0.649 20 5 DCBDRO CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000598915824 397307864 /nfs/dbraw/zinc/30/78/64/397307864.db2.gz QQDWDLJPLJZYLB-UHFFFAOYSA-N 1 0 306.322 0.744 20 5 DCBDRO CN(C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@@H]1CC[NH2+]C1 ZINC000577721416 397353969 /nfs/dbraw/zinc/35/39/69/397353969.db2.gz FPEARYSCQXALJD-LLVKDONJSA-N 1 0 321.333 0.729 20 5 DCBDRO COCCOC[C@@H](O)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578128017 397392512 /nfs/dbraw/zinc/39/25/12/397392512.db2.gz ZXHIIAYQAZRVMV-NSHDSACASA-N 1 0 324.337 0.585 20 5 DCBDRO O=C(CC[NH+]1C[C@@H](CO)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC000599530360 397464554 /nfs/dbraw/zinc/46/45/54/397464554.db2.gz VHXDUSJDIYMCQA-RYUDHWBXSA-N 1 0 323.349 0.456 20 5 DCBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC000599531239 397466394 /nfs/dbraw/zinc/46/63/94/397466394.db2.gz OABJZZHEDZLQNW-STQMWFEESA-N 1 0 310.350 0.896 20 5 DCBDRO CC(=O)NC[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602768585 397481190 /nfs/dbraw/zinc/48/11/90/397481190.db2.gz KBKKEHXIGFBDAQ-ZDUSSCGKSA-N 1 0 309.370 0.948 20 5 DCBDRO CNC(=O)CC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602778461 397482168 /nfs/dbraw/zinc/48/21/68/397482168.db2.gz BRGNTJWUZXCNPG-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000602779191 397482391 /nfs/dbraw/zinc/48/23/91/397482391.db2.gz BWQSXYFDRUCJOG-UHFFFAOYSA-N 1 0 318.337 0.252 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000602780099 397483152 /nfs/dbraw/zinc/48/31/52/397483152.db2.gz HGLXQDKFZORLDV-AWEZNQCLSA-N 1 0 323.397 0.754 20 5 DCBDRO Cc1cc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000370428604 397484025 /nfs/dbraw/zinc/48/40/25/397484025.db2.gz QXXMZIHIDOQJQF-JTQLQIEISA-N 1 0 315.351 0.251 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC[C@@H]1CCO ZINC000602786246 397485454 /nfs/dbraw/zinc/48/54/54/397485454.db2.gz DZUBSINVTZYZFR-NSHDSACASA-N 1 0 300.384 0.900 20 5 DCBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602794145 397488050 /nfs/dbraw/zinc/48/80/50/397488050.db2.gz GMUCXZMRGHTJNM-CYBMUJFWSA-N 1 0 309.370 0.900 20 5 DCBDRO Cc1c(CNC(=O)NC[C@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000599918794 397540689 /nfs/dbraw/zinc/54/06/89/397540689.db2.gz QNOLMNSLSSPIJQ-LBPRGKRZSA-N 1 0 308.338 0.691 20 5 DCBDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579746022 397592118 /nfs/dbraw/zinc/59/21/18/397592118.db2.gz JGSLWZLOTLOHIK-CABZTGNLSA-N 1 0 308.342 0.545 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H](C)CC[NH3+])c([N+](=O)[O-])c1 ZINC000312644030 286351474 /nfs/dbraw/zinc/35/14/74/286351474.db2.gz DNIZXZJWUDCMGA-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000261679164 286382472 /nfs/dbraw/zinc/38/24/72/286382472.db2.gz HWQLXXGRESABIB-NSHDSACASA-N 1 0 322.365 0.895 20 5 DCBDRO COc1cccc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-] ZINC000261950597 286456410 /nfs/dbraw/zinc/45/64/10/286456410.db2.gz WHPQCXANTRNKAG-LLVKDONJSA-N 1 0 322.365 0.895 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000087384294 158092815 /nfs/dbraw/zinc/09/28/15/158092815.db2.gz FZJNOJOKECKAFF-SNVBAGLBSA-N 1 0 315.351 0.619 20 5 DCBDRO C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000118101841 158176278 /nfs/dbraw/zinc/17/62/78/158176278.db2.gz HWELURIXNOLSKF-ZDUSSCGKSA-N 1 0 320.349 0.990 20 5 DCBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000189296152 158551104 /nfs/dbraw/zinc/55/11/04/158551104.db2.gz ZGHXAGZTAGBHJK-UHFFFAOYSA-N 1 0 311.363 0.934 20 5 DCBDRO Nc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000320727502 159011073 /nfs/dbraw/zinc/01/10/73/159011073.db2.gz DQSZZFURJZPPAW-NWDGAFQWSA-N 1 0 320.349 0.770 20 5 DCBDRO C[NH+](C)C1(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000330530150 159186914 /nfs/dbraw/zinc/18/69/14/159186914.db2.gz ZVWYMUOLCBADBQ-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000330597112 159200336 /nfs/dbraw/zinc/20/03/36/159200336.db2.gz SGERXETZAYAAHR-GHMZBOCLSA-N 1 0 308.338 0.308 20 5 DCBDRO O=C1CO[C@H]2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C[C@@H]2N1 ZINC000367223460 159323235 /nfs/dbraw/zinc/32/32/35/159323235.db2.gz HIUCFTCCZAFCGL-AAEUAGOBSA-N 1 0 309.297 0.823 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+]Cc2cc[nH]c2)cc1 ZINC000086252005 286930890 /nfs/dbraw/zinc/93/08/90/286930890.db2.gz WWWDNZCPHZMTQC-UHFFFAOYSA-N 1 0 324.362 0.991 20 5 DCBDRO C[NH2+]CCCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000121100645 286953925 /nfs/dbraw/zinc/95/39/25/286953925.db2.gz SPQVOZQUDODENB-SNVBAGLBSA-N 1 0 324.337 0.518 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151300349 287032788 /nfs/dbraw/zinc/03/27/88/287032788.db2.gz XLEDQQPWHUEUQM-NSHDSACASA-N 1 0 310.358 0.432 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419149706 287269538 /nfs/dbraw/zinc/26/95/38/287269538.db2.gz LDICTPIJICDGHV-GHMZBOCLSA-N 1 0 322.365 0.744 20 5 DCBDRO O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000420339026 287292142 /nfs/dbraw/zinc/29/21/42/287292142.db2.gz LMEGZYQOBFLXSL-DOMZBBRYSA-N 1 0 316.361 0.778 20 5 DCBDRO C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[NH2+]1 ZINC000420342361 287292600 /nfs/dbraw/zinc/29/26/00/287292600.db2.gz WUOZJVQNERQQPO-FZMZJTMJSA-N 1 0 304.350 0.994 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCC[NH+](C)C ZINC000045164335 415241909 /nfs/dbraw/zinc/24/19/09/415241909.db2.gz RTXVMSYIZGJYSM-LLVKDONJSA-N 1 0 322.365 0.781 20 5 DCBDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352646546 415266505 /nfs/dbraw/zinc/26/65/05/415266505.db2.gz POSSNMNQGGCEJC-SNVBAGLBSA-N 1 0 311.342 0.501 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)CC1 ZINC000332148554 415269284 /nfs/dbraw/zinc/26/92/84/415269284.db2.gz OFKDJMAVZZLSAN-NSHDSACASA-N 1 0 322.369 0.170 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000352797182 415322314 /nfs/dbraw/zinc/32/23/14/415322314.db2.gz IBPRVJPRGBAGRX-STQMWFEESA-N 1 0 309.322 0.615 20 5 DCBDRO COCC[N@H+](CC(C)C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075637736 415453796 /nfs/dbraw/zinc/45/37/96/415453796.db2.gz NZQHMFGSMMNSCR-CYBMUJFWSA-N 1 0 300.359 0.757 20 5 DCBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000343783184 415727954 /nfs/dbraw/zinc/72/79/54/415727954.db2.gz QUFWKPGNLFEUAO-RYUDHWBXSA-N 1 0 322.365 0.746 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000121173946 415796878 /nfs/dbraw/zinc/79/68/78/415796878.db2.gz HQSWWDKWCNGQOH-AAEUAGOBSA-N 1 0 322.365 0.555 20 5 DCBDRO CC[N@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000344424678 415912421 /nfs/dbraw/zinc/91/24/21/415912421.db2.gz MSTOKTPLYJRHND-TXEJJXNPSA-N 1 0 322.365 0.698 20 5 DCBDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000130401878 415916775 /nfs/dbraw/zinc/91/67/75/415916775.db2.gz QAWQIFFVVZBVES-LLVKDONJSA-N 1 0 310.358 0.384 20 5 DCBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)[NH+](C)C ZINC000298307131 416001948 /nfs/dbraw/zinc/00/19/48/416001948.db2.gz NVCOCQYEITXSFB-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000344896229 416003590 /nfs/dbraw/zinc/00/35/90/416003590.db2.gz GKDZBODKZQGEGI-MRVPVSSYSA-N 1 0 305.360 0.040 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@](C)(O)CN1CCOCC1 ZINC000301732908 416090566 /nfs/dbraw/zinc/09/05/66/416090566.db2.gz ACTFDHAQPVHDMU-CQSZACIVSA-N 1 0 310.354 0.793 20 5 DCBDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000175253356 416101567 /nfs/dbraw/zinc/10/15/67/416101567.db2.gz PJMZLTUWDSCEOT-SNVBAGLBSA-N 1 0 320.349 0.781 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)C1 ZINC000358041192 416174990 /nfs/dbraw/zinc/17/49/90/416174990.db2.gz GCXVXGQZLRNLDX-OAHLLOKOSA-N 1 0 318.333 0.873 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000178937841 416177936 /nfs/dbraw/zinc/17/79/36/416177936.db2.gz ZQEAPGVDDAUQEZ-QMMMGPOBSA-N 1 0 305.381 0.886 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000358052562 416177989 /nfs/dbraw/zinc/17/79/89/416177989.db2.gz FURIDJCAERPRED-CQSZACIVSA-N 1 0 319.321 0.268 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358065581 416186184 /nfs/dbraw/zinc/18/61/84/416186184.db2.gz LWRMSJWOJLNFPY-CQSZACIVSA-N 1 0 309.322 0.400 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000179379217 416187121 /nfs/dbraw/zinc/18/71/21/416187121.db2.gz SLAHJRCFDMQLCN-UHFFFAOYSA-N 1 0 317.367 0.418 20 5 DCBDRO CCO[C@@H]1C[C@](CO)([NH2+]CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000189983020 416273336 /nfs/dbraw/zinc/27/33/36/416273336.db2.gz NLXDYSQTHLNXSD-BXUZGUMPSA-N 1 0 312.370 0.947 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000331447433 416314034 /nfs/dbraw/zinc/31/40/34/416314034.db2.gz OHDDLWNKIQDSSO-LBPRGKRZSA-N 1 0 322.369 0.521 20 5 DCBDRO C[C@H](CNc1cccc(C(N)=O)c1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000342110758 416283801 /nfs/dbraw/zinc/28/38/01/416283801.db2.gz IKSIAHZYBAOVKE-LLVKDONJSA-N 1 0 321.381 0.742 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000264363169 416339584 /nfs/dbraw/zinc/33/95/84/416339584.db2.gz CQZGWCOUYCCBNU-GFCCVEGCSA-N 1 0 321.381 0.775 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415411067 416341802 /nfs/dbraw/zinc/34/18/02/416341802.db2.gz GQCKJDROMKVOHI-VIFPVBQESA-N 1 0 308.338 0.813 20 5 DCBDRO Cc1c(CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000359553205 416350264 /nfs/dbraw/zinc/35/02/64/416350264.db2.gz RGKFEHKFIKXXTE-HNNXBMFYSA-N 1 0 322.365 0.769 20 5 DCBDRO CCc1nn(C)c(NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000360892528 416415619 /nfs/dbraw/zinc/41/56/19/416415619.db2.gz NQHMZGSAXMARLG-UHFFFAOYSA-N 1 0 310.402 0.940 20 5 DCBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])c(N)n1 ZINC000420279994 416417870 /nfs/dbraw/zinc/41/78/70/416417870.db2.gz PSGCJSMFDMJVCP-NSHDSACASA-N 1 0 302.338 1.063 20 5 DCBDRO Cc1c(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cccc1[N+](=O)[O-] ZINC000360525423 416394618 /nfs/dbraw/zinc/39/46/18/416394618.db2.gz AUOCEQFVZAGXAS-OAHLLOKOSA-N 1 0 318.377 0.909 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000583921804 416486599 /nfs/dbraw/zinc/48/65/99/416486599.db2.gz UIAZXCAHQIGYAD-SNVBAGLBSA-N 1 0 308.338 0.183 20 5 DCBDRO CNc1c(C(=O)NCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000361121455 416422126 /nfs/dbraw/zinc/42/21/26/416422126.db2.gz GYZXBMPRJYNVKD-UHFFFAOYSA-N 1 0 321.381 0.614 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000594236375 416558763 /nfs/dbraw/zinc/55/87/63/416558763.db2.gz NDMKCWYKDNORAR-MNOVXSKESA-N 1 0 319.365 1.388 20 5 DCBDRO C[NH+](C)C1(CNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CCOCC1 ZINC000361903086 416520860 /nfs/dbraw/zinc/52/08/60/416520860.db2.gz SXQKMKPOGCEBNU-UHFFFAOYSA-N 1 0 324.337 0.536 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000597699576 416596863 /nfs/dbraw/zinc/59/68/63/416596863.db2.gz KFOKFOWATQFIQC-MWLCHTKSSA-N 1 0 307.354 1.196 20 5 DCBDRO COC(=O)c1cc(C(=O)NC[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC000423983599 416598775 /nfs/dbraw/zinc/59/87/75/416598775.db2.gz AMLGIOJVAOGBMF-GFCCVEGCSA-N 1 0 323.305 0.100 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423993989 416601947 /nfs/dbraw/zinc/60/19/47/416601947.db2.gz RMNFHZGDVANLTD-SNVBAGLBSA-N 1 0 316.317 0.861 20 5 DCBDRO O=[N+]([O-])c1cccc2ncnc(NCC[N@H+]3CC[C@@H](O)C3)c21 ZINC000599176416 416609112 /nfs/dbraw/zinc/60/91/12/416609112.db2.gz UJMZZVSPSMYCIA-SNVBAGLBSA-N 1 0 303.322 1.017 20 5 DCBDRO C[N@@H+]1CCN(CCNc2ccc(N)c([N+](=O)[O-])n2)CC1(C)C ZINC000596223664 416579464 /nfs/dbraw/zinc/57/94/64/416579464.db2.gz UIBHIEIGISHZNF-UHFFFAOYSA-N 1 0 308.386 1.010 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)s1 ZINC000440344313 416630538 /nfs/dbraw/zinc/63/05/38/416630538.db2.gz WOBGKFSMWKFUEM-QMMMGPOBSA-N 1 0 305.381 0.934 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000440808754 416650065 /nfs/dbraw/zinc/65/00/65/416650065.db2.gz LDOUSFTVMLSURW-DTWKUNHWSA-N 1 0 317.371 0.088 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000441608695 416676521 /nfs/dbraw/zinc/67/65/21/416676521.db2.gz DUKAJBZIBNSMJH-SNVBAGLBSA-N 1 0 308.338 0.426 20 5 DCBDRO COc1cccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000516938249 416759690 /nfs/dbraw/zinc/75/96/90/416759690.db2.gz MLTDMHXSSFCPLL-UWVGGRQHSA-N 1 0 306.322 0.352 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000429067586 287333594 /nfs/dbraw/zinc/33/35/94/287333594.db2.gz ZUMYWIIZTACBOP-VHSXEESVSA-N 1 0 310.358 0.387 20 5 DCBDRO CCc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000518763278 416871617 /nfs/dbraw/zinc/87/16/17/416871617.db2.gz YNURYZAYRYSYRQ-UHFFFAOYSA-N 1 0 301.368 0.997 20 5 DCBDRO CNc1nccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)c1[N+](=O)[O-] ZINC000563385231 416880085 /nfs/dbraw/zinc/88/00/85/416880085.db2.gz SRESMUALDWSXAU-SNVBAGLBSA-N 1 0 307.354 1.198 20 5 DCBDRO CNc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000560158294 416834310 /nfs/dbraw/zinc/83/43/10/416834310.db2.gz FXCPBCYZHQEBPA-NSHDSACASA-N 1 0 308.338 0.745 20 5 DCBDRO C[C@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[NH+](C)C ZINC000615490150 416843405 /nfs/dbraw/zinc/84/34/05/416843405.db2.gz DXZVSIICYCHYNG-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO C[NH2+]CC1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000429444879 416973284 /nfs/dbraw/zinc/97/32/84/416973284.db2.gz OXUWDIVYIOOPMJ-UHFFFAOYSA-N 1 0 308.338 0.215 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565548305 416990403 /nfs/dbraw/zinc/99/04/03/416990403.db2.gz GOECLQQRMGLDNW-KOLCDFICSA-N 1 0 322.296 0.118 20 5 DCBDRO CN(CC(=O)N1CC[NH2+]CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000430652012 417056204 /nfs/dbraw/zinc/05/62/04/417056204.db2.gz WPTYCJXKLWHYLE-UHFFFAOYSA-N 1 0 310.329 0.598 20 5 DCBDRO CC(C)[N@@H+]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438722435 287375307 /nfs/dbraw/zinc/37/53/07/287375307.db2.gz METXGVVZIRMUGY-CQSZACIVSA-N 1 0 311.386 0.568 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)CC(C)(C)C ZINC000451780210 417398120 /nfs/dbraw/zinc/39/81/20/417398120.db2.gz MTBAUURHOSYGFP-YPMHNXCESA-N 1 0 314.386 0.881 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000415348979 417370900 /nfs/dbraw/zinc/37/09/00/417370900.db2.gz WIKMXKPORIYSMU-VIFPVBQESA-N 1 0 322.321 0.362 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000574582355 417485415 /nfs/dbraw/zinc/48/54/15/417485415.db2.gz GVKNGTHMBQFYPC-NXEZZACHSA-N 1 0 307.354 1.244 20 5 DCBDRO COc1cc(CN(C)[C@H]2CCNC2=O)c([N+](=O)[O-])cc1OC ZINC000355191536 261317890 /nfs/dbraw/zinc/31/78/90/261317890.db2.gz QQHHBFAXIYVNFQ-JTQLQIEISA-N 1 0 309.322 0.932 20 5 DCBDRO C[C@H](CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[NH+](C)C ZINC000362553543 262046630 /nfs/dbraw/zinc/04/66/30/262046630.db2.gz VMEKYKBIWVTEFZ-SNVBAGLBSA-N 1 0 323.349 0.975 20 5 DCBDRO O=C(NCC[C@H]1CCC[NH2+]C1)NCCn1cc([N+](=O)[O-])cn1 ZINC000417910371 262264861 /nfs/dbraw/zinc/26/48/61/262264861.db2.gz LDAKKQXJZMOHBE-LLVKDONJSA-N 1 0 310.358 0.480 20 5 DCBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N1CCC[NH2+]CC1 ZINC000418086310 262269550 /nfs/dbraw/zinc/26/95/50/262269550.db2.gz YDLQUTVLYDTONV-UHFFFAOYSA-N 1 0 318.337 0.976 20 5 DCBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418674167 262286058 /nfs/dbraw/zinc/28/60/58/262286058.db2.gz PWEZDBJZRHHSLP-IMRBUKKESA-N 1 0 304.350 0.997 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418775840 262289431 /nfs/dbraw/zinc/28/94/31/262289431.db2.gz FEXDCQMDLVNJBW-JTQLQIEISA-N 1 0 308.338 0.498 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[NH2+]CC1 ZINC000418927651 262299202 /nfs/dbraw/zinc/29/92/02/262299202.db2.gz XMMIAMJTRVWOKW-UHFFFAOYSA-N 1 0 320.349 0.075 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NCC1CC[NH+](CCO)CC1 ZINC000420594971 262378078 /nfs/dbraw/zinc/37/80/78/262378078.db2.gz FGHYYNCTFOZUSY-UHFFFAOYSA-N 1 0 322.365 0.810 20 5 DCBDRO CC(C)(C[NH3+])NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000428915418 262596070 /nfs/dbraw/zinc/59/60/70/262596070.db2.gz JQYLJJAUBFICGB-UHFFFAOYSA-N 1 0 323.353 0.248 20 5 DCBDRO CO[C@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000359230662 271108311 /nfs/dbraw/zinc/10/83/11/271108311.db2.gz YAJDDBMMRHUEJW-OLZOCXBDSA-N 1 0 323.349 0.938 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000418875467 271260699 /nfs/dbraw/zinc/26/06/99/271260699.db2.gz WUWVALYWKDMQIG-GWCFXTLKSA-N 1 0 320.349 0.059 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000419042005 271268902 /nfs/dbraw/zinc/26/89/02/271268902.db2.gz OPXRCCGQJFHIDH-JQWIXIFHSA-N 1 0 320.349 0.059 20 5 DCBDRO C[C@H](CN1CCOCC1)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420579632 271373317 /nfs/dbraw/zinc/37/33/17/271373317.db2.gz BJARQFFFUPVGSM-SNVBAGLBSA-N 1 0 308.338 0.826 20 5 DCBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000449702882 271861105 /nfs/dbraw/zinc/86/11/05/271861105.db2.gz DXRLYMCAUOBIFN-NSHDSACASA-N 1 0 309.322 0.468 20 5 DCBDRO O=C(NCCC[NH+]1CCCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000489111053 272056971 /nfs/dbraw/zinc/05/69/71/272056971.db2.gz UJMXXLYIMSEWDS-UHFFFAOYSA-N 1 0 310.358 0.576 20 5 DCBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000493713738 272205563 /nfs/dbraw/zinc/20/55/63/272205563.db2.gz YMHACQITJQOPNC-MEWZEZIVSA-N 1 0 303.318 0.807 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)CC[NH2+]C ZINC000263113308 276593816 /nfs/dbraw/zinc/59/38/16/276593816.db2.gz FFHFUFMKNNMOPX-JTQLQIEISA-N 1 0 312.374 0.505 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273533426 277581734 /nfs/dbraw/zinc/58/17/34/277581734.db2.gz ZNIJXOGBOFQHNF-NSHDSACASA-N 1 0 318.355 0.018 20 5 DCBDRO [NH3+]CCCn1cc(C(=O)NCc2cccc([N+](=O)[O-])c2)nn1 ZINC000562969245 288610010 /nfs/dbraw/zinc/61/00/10/288610010.db2.gz WRPRURMBAWFJAP-UHFFFAOYSA-N 1 0 304.310 0.465 20 5 DCBDRO C[C@]1(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC[C@H]1O ZINC000563810613 288705861 /nfs/dbraw/zinc/70/58/61/288705861.db2.gz IVUHURAWNXFVGB-MGPQQGTHSA-N 1 0 312.370 0.683 20 5 DCBDRO O=C(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)N[C@H]1CC[NH2+]C1 ZINC000576600424 341854574 /nfs/dbraw/zinc/85/45/74/341854574.db2.gz ZZAXIXUREGJOKE-QMMMGPOBSA-N 1 0 304.310 0.632 20 5 DCBDRO COC(=O)Cn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])nn1 ZINC000295778471 533808558 /nfs/dbraw/zinc/80/85/58/533808558.db2.gz RJRHBWSSDAKTDW-UHFFFAOYSA-N 1 0 319.321 0.692 20 5 DCBDRO CC[NH2+]CCNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000237009713 519923379 /nfs/dbraw/zinc/92/33/79/519923379.db2.gz HWTBEDHSLDETJH-UHFFFAOYSA-N 1 0 318.337 0.823 20 5 DCBDRO COc1cc(CNC[C@](C)(O)C[NH+](C)C)c([N+](=O)[O-])cc1O ZINC000131483618 522461084 /nfs/dbraw/zinc/46/10/84/522461084.db2.gz BZAQNAWAXLQXNV-AWEZNQCLSA-N 1 0 313.354 0.711 20 5 DCBDRO C[N@H+](CCCn1ccnc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000130373532 522802893 /nfs/dbraw/zinc/80/28/93/522802893.db2.gz GYTBCFGOEOTPNB-ZDUSSCGKSA-N 1 0 308.342 0.371 20 5 DCBDRO C[N@H+](CCc1ccccn1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266401818 522966900 /nfs/dbraw/zinc/96/69/00/522966900.db2.gz FCTGKRJMXQPPEH-AWEZNQCLSA-N 1 0 305.338 0.722 20 5 DCBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CC[NH2+]CC1 ZINC000415287153 534838251 /nfs/dbraw/zinc/83/82/51/534838251.db2.gz WQFCDZPTLMTOER-UHFFFAOYSA-N 1 0 312.713 0.619 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]CC1 ZINC000159348928 525346737 /nfs/dbraw/zinc/34/67/37/525346737.db2.gz KFBOWRLVTMOKOR-SNVBAGLBSA-N 1 0 306.322 0.145 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000267363320 525465319 /nfs/dbraw/zinc/46/53/19/525465319.db2.gz LWTUXQCPQJUVEJ-LLVKDONJSA-N 1 0 323.353 0.421 20 5 DCBDRO C[C@@H]1SCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000247226964 525624481 /nfs/dbraw/zinc/62/44/81/525624481.db2.gz CZVSPKSRGVHIHU-JBLDHEPKSA-N 1 0 300.384 0.978 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCCC1CC[NH+](C)CC1 ZINC000156451818 527088081 /nfs/dbraw/zinc/08/80/81/527088081.db2.gz ZSIWMODPZOLGRG-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000364301774 527241924 /nfs/dbraw/zinc/24/19/24/527241924.db2.gz DZSKZOCQADYLIS-LBPRGKRZSA-N 1 0 315.351 0.084 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H]([NH3+])CC ZINC000415795031 528613427 /nfs/dbraw/zinc/61/34/27/528613427.db2.gz XAWGWHVYEKSSEO-VIFPVBQESA-N 1 0 324.337 0.786 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000423534845 535427680 /nfs/dbraw/zinc/42/76/80/535427680.db2.gz BBEUIXNPOPUTFE-NSHDSACASA-N 1 0 309.322 0.793 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000428194881 535809384 /nfs/dbraw/zinc/80/93/84/535809384.db2.gz GQDNTCWDLNLTHQ-VHSXEESVSA-N 1 0 310.358 0.305 20 5 DCBDRO COCC[N@@H+]1CC[C@H](Nc2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000290479623 536879496 /nfs/dbraw/zinc/87/94/96/536879496.db2.gz BHJUCHQNCGRSDZ-VIFPVBQESA-N 1 0 309.326 0.221 20 5 DCBDRO CC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000736567625 599318699 /nfs/dbraw/zinc/31/86/99/599318699.db2.gz BOGVMKVCPYJEGL-UHFFFAOYSA-N 1 0 304.314 0.312 20 5 DCBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000823619984 607167723 /nfs/dbraw/zinc/16/77/23/607167723.db2.gz FAKUDBUJWVUZET-VIFPVBQESA-N 1 0 316.325 0.454 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000050246567 658171355 /nfs/dbraw/zinc/17/13/55/658171355.db2.gz ONQKBJOIRQEDRK-VIFPVBQESA-N 1 0 315.351 0.573 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000935296349 658211939 /nfs/dbraw/zinc/21/19/39/658211939.db2.gz XZUHVGRUACFVLO-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1nnc[nH]1 ZINC001022869340 658710008 /nfs/dbraw/zinc/71/00/08/658710008.db2.gz YSAKLHSFYNKKRX-PHIMTYICSA-N 1 0 316.321 0.764 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000933296237 658720234 /nfs/dbraw/zinc/72/02/34/658720234.db2.gz VPKCDFUMQPKYQF-LBPRGKRZSA-N 1 0 309.370 0.898 20 5 DCBDRO CN(CC(C)(C)C[NH+](C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000890881625 658732050 /nfs/dbraw/zinc/73/20/50/658732050.db2.gz BSNSIBPMOHCUAL-UHFFFAOYSA-N 1 0 324.381 0.803 20 5 DCBDRO Cc1csc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022063694 658813772 /nfs/dbraw/zinc/81/37/72/658813772.db2.gz HOKPRTYKANQFRT-LMLFDSFASA-N 1 0 310.379 0.854 20 5 DCBDRO COC(=O)CC(C)(C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000178334675 658956817 /nfs/dbraw/zinc/95/68/17/658956817.db2.gz DNRATZSXUJMJDB-SNVBAGLBSA-N 1 0 300.315 0.084 20 5 DCBDRO Cc1ncoc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776631 659557213 /nfs/dbraw/zinc/55/72/13/659557213.db2.gz CXCMEOSGTQQLNA-HMUNZLOLSA-N 1 0 306.322 0.195 20 5 DCBDRO COCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000982278640 661330434 /nfs/dbraw/zinc/33/04/34/661330434.db2.gz MGQIFOFSUKWLMJ-GBOPCIDUSA-N 1 0 311.382 0.468 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2cncc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983655319 662000668 /nfs/dbraw/zinc/00/06/68/662000668.db2.gz SJNLPITVSNKDKZ-ICGCDAGXSA-N 1 0 322.340 0.870 20 5 DCBDRO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896539477 662284616 /nfs/dbraw/zinc/28/46/16/662284616.db2.gz PCNIIYVTFVROCO-NEPJUHHUSA-N 1 0 300.403 0.572 20 5 DCBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896579840 662295348 /nfs/dbraw/zinc/29/53/48/662295348.db2.gz JCUITAALVRKOMI-FZMZJTMJSA-N 1 0 306.366 0.959 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901135483 663324768 /nfs/dbraw/zinc/32/47/68/663324768.db2.gz NTXUBCCFWMEJOQ-YPMHNXCESA-N 1 0 307.354 0.924 20 5 DCBDRO CN(C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CC[NH2+]C1 ZINC000911788127 664109685 /nfs/dbraw/zinc/10/96/85/664109685.db2.gz OQGRLURKKKESEI-YGRLFVJLSA-N 1 0 318.333 0.908 20 5 DCBDRO O=C(NC12CC[NH+](CC1)C2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000913631759 664707564 /nfs/dbraw/zinc/70/75/64/664707564.db2.gz BEKISUMAZDISTL-UHFFFAOYSA-N 1 0 305.290 0.902 20 5 DCBDRO O=[N+]([O-])c1cc(CO)c(N2CCC([NH2+]CCO)CC2)cc1F ZINC000865647978 667336495 /nfs/dbraw/zinc/33/64/95/667336495.db2.gz POIUTEUEDSPQQA-UHFFFAOYSA-N 1 0 313.329 0.777 20 5 DCBDRO O=C1OC[C@]2(C[NH2+]Cc3csc([N+](=O)[O-])c3)COCCN12 ZINC000865768418 667344909 /nfs/dbraw/zinc/34/49/09/667344909.db2.gz IOBRLXFPHDIOLX-LBPRGKRZSA-N 1 0 313.335 0.967 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@@H]([NH2+]CCO)C2)c1 ZINC000923409092 667528500 /nfs/dbraw/zinc/52/85/00/667528500.db2.gz PFGMUIDHTLDTFI-HIFRSBDPSA-N 1 0 309.366 0.675 20 5 DCBDRO [NH3+]C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@@H]1C(F)(F)F ZINC000872151938 667869594 /nfs/dbraw/zinc/86/95/94/667869594.db2.gz NRAIOUIAYDXRAQ-SCZZXKLOSA-N 1 0 307.276 0.860 20 5 DCBDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])nc2)C1 ZINC000839708256 668135353 /nfs/dbraw/zinc/13/53/53/668135353.db2.gz HIUNXIVRDFJDQF-JHJVBQTASA-N 1 0 319.365 0.826 20 5 DCBDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839707345 668135641 /nfs/dbraw/zinc/13/56/41/668135641.db2.gz SYFMGFQGHJJVEM-AAVRWANBSA-N 1 0 311.382 0.536 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924993738 668262006 /nfs/dbraw/zinc/26/20/06/668262006.db2.gz LVCSJZHRBQALJO-NWDGAFQWSA-N 1 0 322.365 0.456 20 5 DCBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CN(C)CCO1 ZINC000877100587 668562702 /nfs/dbraw/zinc/56/27/02/668562702.db2.gz UVJBIOKJFKKMSI-NPZBDFSRSA-N 1 0 309.370 0.804 20 5 DCBDRO C[C@@H](CCO)[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000779394171 668910478 /nfs/dbraw/zinc/91/04/78/668910478.db2.gz BDBCRQWJLYSPBS-JTQLQIEISA-N 1 0 317.367 0.234 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1 ZINC000880070853 669154527 /nfs/dbraw/zinc/15/45/27/669154527.db2.gz XTFXZWOOJFEPEY-ARFHVFGLSA-N 1 0 321.377 0.769 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000880137928 669163940 /nfs/dbraw/zinc/16/39/40/669163940.db2.gz MYTYYUQTADLUKI-KBPBESRZSA-N 1 0 306.366 0.925 20 5 DCBDRO C[N@@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931398741 669191463 /nfs/dbraw/zinc/19/14/63/669191463.db2.gz UDVZXICAVFLDIQ-AWEZNQCLSA-N 1 0 309.366 0.972 20 5 DCBDRO C[NH+](C)CCN1CCN(c2ccnc(F)c2[N+](=O)[O-])CC1=O ZINC000882523493 669540748 /nfs/dbraw/zinc/54/07/48/669540748.db2.gz RAZSSTGVUXPDHP-UHFFFAOYSA-N 1 0 311.317 0.339 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)n1 ZINC000934265111 669588517 /nfs/dbraw/zinc/58/85/17/669588517.db2.gz XIECKKBJPMJNSA-CHWSQXEVSA-N 1 0 309.370 0.322 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000793922660 669756153 /nfs/dbraw/zinc/75/61/53/669756153.db2.gz ALPGWHNPIWDTFK-NEPJUHHUSA-N 1 0 321.381 0.937 20 5 DCBDRO COc1c[nH+]ccc1N1CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000794698663 669860014 /nfs/dbraw/zinc/86/00/14/669860014.db2.gz IKPJJCFNBGJUJD-UHFFFAOYSA-N 1 0 318.337 0.975 20 5 DCBDRO Nc1cc(N2CC[NH+](CCCCO)CC2)cc(CO)c1[N+](=O)[O-] ZINC000804502470 670297066 /nfs/dbraw/zinc/29/70/66/670297066.db2.gz SHYVGYGGGFYTLV-UHFFFAOYSA-N 1 0 324.381 0.564 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808160481 670393514 /nfs/dbraw/zinc/39/35/14/670393514.db2.gz VONZQLCEHSGYAY-VXGBXAGGSA-N 1 0 320.349 0.458 20 5 DCBDRO COCCN1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000809733008 670459564 /nfs/dbraw/zinc/45/95/64/670459564.db2.gz OKACFPTZIQQGHD-DZGCQCFKSA-N 1 0 309.366 0.939 20 5 DCBDRO CNC(=O)[C@H]1CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000817371201 670916479 /nfs/dbraw/zinc/91/64/79/670916479.db2.gz ZHWGQIFWVPPHSR-NSHDSACASA-N 1 0 303.322 0.970 20 5 DCBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000857764135 670945921 /nfs/dbraw/zinc/94/59/21/670945921.db2.gz JAYSOPIZBKWAJT-JTQLQIEISA-N 1 0 306.322 0.731 20 5 DCBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000817992613 670959648 /nfs/dbraw/zinc/95/96/48/670959648.db2.gz LURPTGZJLJTOHL-CABZTGNLSA-N 1 0 303.322 0.893 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[NH2+]C1CC1 ZINC000818541687 671029393 /nfs/dbraw/zinc/02/93/93/671029393.db2.gz KYUPNICUJVAEAB-UHFFFAOYSA-N 1 0 303.322 0.813 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3nnnn3CC2)c1 ZINC000819375976 671115848 /nfs/dbraw/zinc/11/58/48/671115848.db2.gz XNEFCCVNEGJKSA-WCQYABFASA-N 1 0 318.337 0.609 20 5 DCBDRO COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000859558939 671126005 /nfs/dbraw/zinc/12/60/05/671126005.db2.gz OBUZUJCZFJMLCQ-HIFRSBDPSA-N 1 0 324.333 0.892 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCN(C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000852743470 671153947 /nfs/dbraw/zinc/15/39/47/671153947.db2.gz YTSKVZOQDTWWBZ-HNNXBMFYSA-N 1 0 306.366 0.705 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000852919962 671195810 /nfs/dbraw/zinc/19/58/10/671195810.db2.gz GJULKBAOJYSLQZ-NSHDSACASA-N 1 0 322.365 0.769 20 5 DCBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000861035472 671260882 /nfs/dbraw/zinc/26/08/82/671260882.db2.gz FVAMKXKPGOFGPP-JTQLQIEISA-N 1 0 312.326 0.596 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897241292 685440491 /nfs/dbraw/zinc/44/04/91/685440491.db2.gz HRQGRWIVKBAPLU-HNNXBMFYSA-N 1 0 319.361 0.974 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ncn1 ZINC001020139859 693710584 /nfs/dbraw/zinc/71/05/84/693710584.db2.gz PGDBZLRIMBCYOW-FPQZTECRSA-N 1 0 305.338 0.187 20 5 DCBDRO CCN1CC[NH+](CCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001570484633 1162526246 /nfs/dbraw/zinc/52/62/46/1162526246.db2.gz XMCLWBGWODDIRP-ZIAGYGMSSA-N 1 0 312.414 0.576 20 5 DCBDRO O=C(NCC1([NH2+]CCC2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001670782072 1158001063 /nfs/dbraw/zinc/00/10/63/1158001063.db2.gz ULZTUIJMLVBOEJ-CHWSQXEVSA-N 1 0 311.382 0.707 20 5 DCBDRO O=C(NC/C=C\C[NH2+]Cc1cncc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568848530 1160812888 /nfs/dbraw/zinc/81/28/88/1160812888.db2.gz LXOBEYOKDCOEAO-IKGCNYHESA-N 1 0 308.313 0.648 20 5 DCBDRO C[C@H](C(=O)NC[C@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1F ZINC001575069404 1163878305 /nfs/dbraw/zinc/87/83/05/1163878305.db2.gz LQSPISLLACCNOZ-GXSJLCMTSA-N 1 0 311.313 0.942 20 5 DCBDRO CN(C[C@H]1CC[NH2+]1)C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001578452129 1165021483 /nfs/dbraw/zinc/02/14/83/1165021483.db2.gz CDRMQMDULKHHSH-LLVKDONJSA-N 1 0 321.337 0.537 20 5 DCBDRO CNS(=O)(=O)c1ccc(N[C@H]2C[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001578750197 1165094280 /nfs/dbraw/zinc/09/42/80/1165094280.db2.gz QCYHZEFQTSMZLD-OCAPTIKFSA-N 1 0 300.340 0.405 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001578989258 1165180132 /nfs/dbraw/zinc/18/01/32/1165180132.db2.gz NGYSDBSWQISAAX-OLZOCXBDSA-N 1 0 309.322 0.075 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC(OC3C[NH2+]C3)CC2)n1 ZINC001579642514 1165369731 /nfs/dbraw/zinc/36/97/31/1165369731.db2.gz IZFFVECQOJBJNQ-UHFFFAOYSA-N 1 0 320.349 0.891 20 5 DCBDRO Cn1ccc(CCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001579970997 1165455423 /nfs/dbraw/zinc/45/54/23/1165455423.db2.gz HMBQRYJTLPLFBU-HNNXBMFYSA-N 1 0 317.349 0.861 20 5 DCBDRO [NH3+][C@H]1C[C@H](NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC001580429965 1165601546 /nfs/dbraw/zinc/60/15/46/1165601546.db2.gz DDVZSRLKYISNKK-MGCOHNPYSA-N 1 0 301.306 1.000 20 5 DCBDRO O=C([C@@H]1[C@@H]2C[NH2+]CC[C@@H]21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001580491690 1165621872 /nfs/dbraw/zinc/62/18/72/1165621872.db2.gz NSUGFAQFEQULNL-SCRDCRAPSA-N 1 0 319.365 0.810 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc(F)c([N+](=O)[O-])cc1F ZINC001580666613 1165679787 /nfs/dbraw/zinc/67/97/87/1165679787.db2.gz SKYTXNBBHAVFAB-ZETCQYMHSA-N 1 0 301.249 0.591 20 5 DCBDRO C[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001590271588 1166832439 /nfs/dbraw/zinc/83/24/39/1166832439.db2.gz IQDRFHPVVCUACL-RNCFNFMXSA-N 1 0 318.337 0.978 20 5 DCBDRO CC[N@@H+]1CC[C@H]1CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590731544 1166990534 /nfs/dbraw/zinc/99/05/34/1166990534.db2.gz WQXRREQGDXEDOR-VIFPVBQESA-N 1 0 304.314 0.676 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC([NH2+]C3CCOCC3)C2)n1 ZINC001596117577 1167985989 /nfs/dbraw/zinc/98/59/89/1167985989.db2.gz PMIOOHVERCUPJC-UHFFFAOYSA-N 1 0 323.353 0.404 20 5 DCBDRO C[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])CC[C@@H]1O ZINC001609172888 1170840620 /nfs/dbraw/zinc/84/06/20/1170840620.db2.gz BCERFRYXTVVLJI-ZANVPECISA-N 1 0 318.337 0.978 20 5 DCBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC001620540555 1171404423 /nfs/dbraw/zinc/40/44/23/1171404423.db2.gz RPKNINUNWACOJV-JSGCOSHPSA-N 1 0 323.349 0.929 20 5 DCBDRO C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)S(C)(=O)=O ZINC001621459514 1171410657 /nfs/dbraw/zinc/41/06/57/1171410657.db2.gz LCNTYQFKWDWVOM-IDKOKCKLSA-N 1 0 302.356 0.518 20 5 DCBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC001628045949 1171517866 /nfs/dbraw/zinc/51/78/66/1171517866.db2.gz UKCRFIPMPGNZPJ-UHFFFAOYSA-N 1 0 310.354 0.888 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)n1 ZINC001631677499 1171598805 /nfs/dbraw/zinc/59/88/05/1171598805.db2.gz MIQJFFMPPWOSPT-NWDGAFQWSA-N 1 0 306.322 0.189 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC1CC[NH+](C2CCC2)CC1 ZINC001636765575 1171749374 /nfs/dbraw/zinc/74/93/74/1171749374.db2.gz GWCVIXQJRYGGBR-UHFFFAOYSA-N 1 0 308.342 0.319 20 5 DCBDRO NC(=O)c1ccnc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1[N+](=O)[O-] ZINC001639920188 1171854845 /nfs/dbraw/zinc/85/48/45/1171854845.db2.gz TUXFEVQBNNYVCY-AOOOYVTPSA-N 1 0 321.337 0.364 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001644123638 1171997129 /nfs/dbraw/zinc/99/71/29/1171997129.db2.gz KMFKZFQHDSWAFN-DZGCQCFKSA-N 1 0 323.349 0.153 20 5 DCBDRO Nc1cc[nH+]c2c1CN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001654564338 1173806452 /nfs/dbraw/zinc/80/64/52/1173806452.db2.gz CYAYXGHWHAVKOK-LLVKDONJSA-N 1 0 318.337 0.188 20 5 DCBDRO O=C(CC[N@@H+]1C[C@H](O)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654688398 1173808692 /nfs/dbraw/zinc/80/86/92/1173808692.db2.gz UUTVDLGQRGSAHC-GWCFXTLKSA-N 1 0 309.322 0.208 20 5 DCBDRO C[C@@](CO)([NH2+]C[C@@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001655317963 1173817665 /nfs/dbraw/zinc/81/76/65/1173817665.db2.gz MIZSYNYHNHPXQS-KGLIPLIRSA-N 1 0 310.350 0.668 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1C(=O)NCC1(C)C ZINC001655483254 1173821029 /nfs/dbraw/zinc/82/10/29/1173821029.db2.gz PMAQHMLMPJPIKZ-ZDUSSCGKSA-N 1 0 320.349 0.956 20 5 DCBDRO Cn1cnnc1CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC001655642334 1173824238 /nfs/dbraw/zinc/82/42/38/1173824238.db2.gz FMAFEHAZCJOGOJ-UHFFFAOYSA-N 1 0 319.369 0.875 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@](O)(C[NH+](C)C)C2)n1 ZINC001655778311 1173826997 /nfs/dbraw/zinc/82/69/97/1173826997.db2.gz SRSMQZFRJJQDGG-CQSZACIVSA-N 1 0 324.337 0.279 20 5 DCBDRO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)nc1 ZINC001655952650 1173831745 /nfs/dbraw/zinc/83/17/45/1173831745.db2.gz FEGRSIFDWHYVDH-GXTWGEPZSA-N 1 0 308.338 0.627 20 5 DCBDRO CNS(=O)(=O)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001656755306 1173879879 /nfs/dbraw/zinc/87/98/79/1173879879.db2.gz KMANJWRNRDUCFZ-UHFFFAOYSA-N 1 0 301.368 0.932 20 5 DCBDRO CC(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001659074063 1173929690 /nfs/dbraw/zinc/92/96/90/1173929690.db2.gz ZXZMNYJYUVDVSR-STQMWFEESA-N 1 0 323.349 0.545 20 5 DCBDRO COC1(OC)CCOC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC001660001440 1173938162 /nfs/dbraw/zinc/93/81/62/1173938162.db2.gz GLQCGEAQUOGAOE-LLVKDONJSA-N 1 0 314.342 0.467 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C(C)(C)F ZINC001663786393 1174351660 /nfs/dbraw/zinc/35/16/60/1174351660.db2.gz FGHQVKBSJPGWCQ-UHFFFAOYSA-N 1 0 301.322 0.624 20 5 DCBDRO Cc1noc(CCC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001713192767 1180714451 /nfs/dbraw/zinc/71/44/51/1180714451.db2.gz XWLJJQLTFZPTSI-WRWGMCAJSA-N 1 0 323.353 0.213 20 5 DCBDRO COc1cccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001714704847 1181491903 /nfs/dbraw/zinc/49/19/03/1181491903.db2.gz WPSGVMGEHVSXTA-ZIAGYGMSSA-N 1 0 307.350 0.908 20 5 DCBDRO Cn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)n1 ZINC001715300920 1181766163 /nfs/dbraw/zinc/76/61/63/1181766163.db2.gz VQFGFUJUBDRHRB-CHWSQXEVSA-N 1 0 321.381 0.604 20 5 DCBDRO O=C(NC/C=C\C[NH2+]CCc1ccns1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715817086 1182024687 /nfs/dbraw/zinc/02/46/87/1182024687.db2.gz PXNMVLIIIXGHFL-JZIZGNRHSA-N 1 0 310.379 0.613 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262488694 1185168249 /nfs/dbraw/zinc/16/82/49/1185168249.db2.gz UBQDHXNLVVIMGU-MNOVXSKESA-N 1 0 322.365 0.827 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001731440853 1185333458 /nfs/dbraw/zinc/33/34/58/1185333458.db2.gz VAGAZRALUVRWGD-XYPYZODXSA-N 1 0 306.322 0.207 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn[nH]n1 ZINC001732872520 1186028123 /nfs/dbraw/zinc/02/81/23/1186028123.db2.gz FODSNKNYGMDPKN-UPHRSURJSA-N 1 0 316.321 0.789 20 5 DCBDRO COc1nccc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001754370618 1188835209 /nfs/dbraw/zinc/83/52/09/1188835209.db2.gz IFYBTNGCBDABOC-VXGBXAGGSA-N 1 0 323.353 0.089 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001755280643 1189069412 /nfs/dbraw/zinc/06/94/12/1189069412.db2.gz LSKNDKOIQYIABD-CHWSQXEVSA-N 1 0 323.397 0.660 20 5 DCBDRO Cc1nc(Cl)nc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC001164666392 719371196 /nfs/dbraw/zinc/37/11/96/719371196.db2.gz FXAFLQZKOLBKCO-RKDXNWHRSA-N 1 0 313.745 0.866 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC000342703477 719485192 /nfs/dbraw/zinc/48/51/92/719485192.db2.gz KIDVSVIPUVXEGK-VXGBXAGGSA-N 1 0 322.321 0.296 20 5 DCBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001164919607 721848686 /nfs/dbraw/zinc/84/86/86/721848686.db2.gz BIHSLODNQOQTJL-ZIAGYGMSSA-N 1 0 321.381 0.443 20 5 DCBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1cc(N)c([N+](=O)[O-])cn1 ZINC001164921939 721868409 /nfs/dbraw/zinc/86/84/09/721868409.db2.gz FDNJRWZFMPDFFH-CHWSQXEVSA-N 1 0 320.397 0.787 20 5 DCBDRO Nc1nc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)ccc1[N+](=O)[O-] ZINC001164967983 722073290 /nfs/dbraw/zinc/07/32/90/722073290.db2.gz XDWLQBHTNOEVKN-TXEJJXNPSA-N 1 0 319.365 0.871 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167672639 747497812 /nfs/dbraw/zinc/49/78/12/747497812.db2.gz QLVSLKOIYXJVQI-UHFFFAOYSA-N 1 0 300.282 0.298 20 5 DCBDRO CN(CCN(C)c1ccc([N+](=O)[O-])cn1)C(=O)CC[NH+](C)C ZINC001105554127 749868067 /nfs/dbraw/zinc/86/80/67/749868067.db2.gz PRVYROCFHJLTPK-UHFFFAOYSA-N 1 0 309.370 0.836 20 5 DCBDRO COC(=O)c1cc(NC(=[NH2+])N2CCN(C)CC2)cc([N+](=O)[O-])c1 ZINC001168740864 754041638 /nfs/dbraw/zinc/04/16/38/754041638.db2.gz PODGLICHXISQET-UHFFFAOYSA-N 1 0 321.337 0.975 20 5 DCBDRO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC001097251683 755636264 /nfs/dbraw/zinc/63/62/64/755636264.db2.gz HJQIMUIBNHDNJP-AOOOYVTPSA-N 1 0 323.353 0.706 20 5 DCBDRO C[NH+](C)C[C@@H]1COCCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001154967969 759122605 /nfs/dbraw/zinc/12/26/05/759122605.db2.gz LHSLGVSRBOPXKL-SNVBAGLBSA-N 1 0 311.298 0.665 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1cnc2ccc(C[NH3+])cc21 ZINC001168838999 760474431 /nfs/dbraw/zinc/47/44/31/760474431.db2.gz TXFVWLNSSLOCGS-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO CN(c1ccc2c(cccc2[N+](=O)[O-])n1)S(=O)(=O)CC[NH3+] ZINC001156236109 760518065 /nfs/dbraw/zinc/51/80/65/760518065.db2.gz FJDCUXFCPFXSAX-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168976749 760527083 /nfs/dbraw/zinc/52/70/83/760527083.db2.gz GAQYSOXHODWPAP-WOPDTQHZSA-N 1 0 305.400 0.445 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cnc[nH]c1=O ZINC001130077238 763116336 /nfs/dbraw/zinc/11/63/36/763116336.db2.gz XSDCVRBOPJXUSW-UHFFFAOYSA-N 1 0 317.305 0.610 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(NCCOCCOCC[NH3+])n1 ZINC001170504985 763387986 /nfs/dbraw/zinc/38/79/86/763387986.db2.gz IJUWGDOUPSVYRK-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO CCOc1cnc(NCCOCCOCC[NH3+])c([N+](=O)[O-])c1 ZINC001170508454 763412777 /nfs/dbraw/zinc/41/27/77/763412777.db2.gz OILFSNZGSNKZCF-UHFFFAOYSA-N 1 0 314.342 0.792 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1n[nH]cc1F ZINC001133479185 764982183 /nfs/dbraw/zinc/98/21/83/764982183.db2.gz SIARPXZUMGDYLW-UHFFFAOYSA-N 1 0 307.285 0.977 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnnc1 ZINC001134284399 765458593 /nfs/dbraw/zinc/45/85/93/765458593.db2.gz YAETTYZWFJAFRH-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncn1 ZINC001135542495 765967480 /nfs/dbraw/zinc/96/74/80/765967480.db2.gz GFCAIRNQSCHZCX-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO CCn1cc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)nn1 ZINC001135994169 766200986 /nfs/dbraw/zinc/20/09/86/766200986.db2.gz IJFUUGBSNWMOJW-UHFFFAOYSA-N 1 0 318.337 0.726 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCC2CS(=O)(=O)C2)c1 ZINC001118156328 766239111 /nfs/dbraw/zinc/23/91/11/766239111.db2.gz VCDAYNAFZAGHSH-ZDUSSCGKSA-N 1 0 314.363 0.653 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001159861673 766286669 /nfs/dbraw/zinc/28/66/69/766286669.db2.gz YDABFRQNFNQKRH-UHFFFAOYSA-N 1 0 319.321 0.866 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])C2)C1 ZINC001118337708 766294592 /nfs/dbraw/zinc/29/45/92/766294592.db2.gz SDDUPZNHQKOIHI-UMNHJUIQSA-N 1 0 323.353 0.676 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ccc(N(C)C)cc1[N+](=O)[O-] ZINC001170995447 766384039 /nfs/dbraw/zinc/38/40/39/766384039.db2.gz LSLPKWYVPHUZFR-UHFFFAOYSA-N 1 0 310.354 0.989 20 5 DCBDRO CN1CC[N@H+](C)CC(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001119564889 766730078 /nfs/dbraw/zinc/73/00/78/766730078.db2.gz XGKLBDPCORBJRW-UHFFFAOYSA-N 1 0 318.377 0.930 20 5 DCBDRO Cc1nonc1CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001146252256 767409208 /nfs/dbraw/zinc/40/92/08/767409208.db2.gz YFAFXUZSXSLTGY-UHFFFAOYSA-N 1 0 319.321 0.735 20 5 DCBDRO O=C(Cc1nc[nH]n1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001147271597 767701339 /nfs/dbraw/zinc/70/13/39/767701339.db2.gz KFTVWKBZRBAPEL-UHFFFAOYSA-N 1 0 310.339 0.223 20 5 DCBDRO O=C(c1ccc2c(c1[N+](=O)[O-])OCCCO2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001122184269 767735313 /nfs/dbraw/zinc/73/53/13/767735313.db2.gz CTRSRVLKPXEVTA-UWVGGRQHSA-N 1 0 319.317 0.942 20 5 DCBDRO CCOCCC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001147507520 767764102 /nfs/dbraw/zinc/76/41/02/767764102.db2.gz QLMWDNGHFJHNAD-CHWSQXEVSA-N 1 0 311.382 0.613 20 5 DCBDRO CC[N@H+](C)CCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001093175077 768480716 /nfs/dbraw/zinc/48/07/16/768480716.db2.gz VQXNWTMENFDDGK-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO CN1CC[N@H+](C)CC(C(=O)Nc2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001141767415 768592095 /nfs/dbraw/zinc/59/20/95/768592095.db2.gz JBTNKCBZHVCAJX-UHFFFAOYSA-N 1 0 307.354 0.609 20 5 DCBDRO C[NH+]1CCC(C(=O)NCCNc2ncccc2[N+](=O)[O-])CC1 ZINC001093700651 768696627 /nfs/dbraw/zinc/69/66/27/768696627.db2.gz DVHIUNWEWGEQPX-UHFFFAOYSA-N 1 0 307.354 0.860 20 5 DCBDRO O=C(NCCNc1ncc([N+](=O)[O-])cc1F)C12CC[NH+](CC1)C2 ZINC001093769188 768719588 /nfs/dbraw/zinc/71/95/88/768719588.db2.gz YEIKEVQFIXUIKZ-UHFFFAOYSA-N 1 0 323.328 0.753 20 5 DCBDRO O=C(Cn1cncn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001150250197 769049428 /nfs/dbraw/zinc/04/94/28/769049428.db2.gz QTBPQZANSKTNLK-UHFFFAOYSA-N 1 0 304.310 0.092 20 5 DCBDRO CC(=O)NCC(=O)NCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001231258762 769210857 /nfs/dbraw/zinc/21/08/57/769210857.db2.gz LELAVLGFVXXJMM-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO C[NH+](C)CCC(=O)NCCCNc1ncc([N+](=O)[O-])cc1F ZINC001094752281 769251831 /nfs/dbraw/zinc/25/18/31/769251831.db2.gz KEYZDBDYFWOIFJ-UHFFFAOYSA-N 1 0 313.333 0.999 20 5 DCBDRO C[N@H+](CCCO)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001171511823 769313047 /nfs/dbraw/zinc/31/30/47/769313047.db2.gz YWINLXLVEHYRRU-UHFFFAOYSA-N 1 0 317.367 0.187 20 5 DCBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001173231496 769567930 /nfs/dbraw/zinc/56/79/30/769567930.db2.gz ZXFZOBWIWYYZNA-DCAQKATOSA-N 1 0 322.365 0.494 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C(C)(C)F ZINC001154101069 770071733 /nfs/dbraw/zinc/07/17/33/770071733.db2.gz GFTQGFIMTJNUKA-UHFFFAOYSA-N 1 0 301.322 0.672 20 5 DCBDRO CNc1nccc(C(=O)N[C@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001176467511 770108735 /nfs/dbraw/zinc/10/87/35/770108735.db2.gz PWNCWDKLTTXRKH-NSHDSACASA-N 1 0 305.338 0.856 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1ccc[nH]1 ZINC001176658583 770158459 /nfs/dbraw/zinc/15/84/59/770158459.db2.gz QFPOEEQBPRPLKS-UHFFFAOYSA-N 1 0 320.353 0.495 20 5 DCBDRO COc1ccc(CC(=O)NCC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC001155251712 770451328 /nfs/dbraw/zinc/45/13/28/770451328.db2.gz XBUUDULSEKJKLT-UHFFFAOYSA-N 1 0 311.338 0.186 20 5 DCBDRO COc1cc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155371539 770480293 /nfs/dbraw/zinc/48/02/93/770480293.db2.gz AUYXAGJFIGVKNB-LBPRGKRZSA-N 1 0 321.381 0.858 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1[N+](=O)[O-] ZINC001155510642 770530614 /nfs/dbraw/zinc/53/06/14/770530614.db2.gz OCFXXGOSJAWTJB-GMTAPVOTSA-N 1 0 322.321 0.565 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncnc3ccc([N+](=O)[O-])cc32)N1 ZINC001155569831 770546595 /nfs/dbraw/zinc/54/65/95/770546595.db2.gz HVDBEIOWIHWMAA-BXUZGUMPSA-N 1 0 314.305 0.528 20 5 DCBDRO COC(=O)c1ccnc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1[N+](=O)[O-] ZINC001155638331 770576005 /nfs/dbraw/zinc/57/60/05/770576005.db2.gz NDVSUPPFDKLMNW-YWVKMMECSA-N 1 0 308.294 0.318 20 5 DCBDRO COc1ncnc(NCC2([NH+](C)C)CCN(C)CC2)c1[N+](=O)[O-] ZINC001156182670 770741568 /nfs/dbraw/zinc/74/15/68/770741568.db2.gz ZYFXBWDSZMGXQI-UHFFFAOYSA-N 1 0 324.385 0.831 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N[C@H]2CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC001156580264 770863425 /nfs/dbraw/zinc/86/34/25/770863425.db2.gz JPELTZWKFIBKKW-LURJTMIESA-N 1 0 315.717 0.941 20 5 DCBDRO COc1nc(NC(=N)NCCCC[NH3+])nc(OC)c1[N+](=O)[O-] ZINC001157096351 771533161 /nfs/dbraw/zinc/53/31/61/771533161.db2.gz HLKNMXOLKRKVKZ-UHFFFAOYSA-N 1 0 313.318 0.077 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NC(=N)N2CC[NH+](C)CC2)n1 ZINC001157915267 771692854 /nfs/dbraw/zinc/69/28/54/771692854.db2.gz OEQHLKDEANDQKL-UHFFFAOYSA-N 1 0 309.330 0.296 20 5 DCBDRO CCOc1nc(NC(=[NH2+])N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC001157915581 771693465 /nfs/dbraw/zinc/69/34/65/771693465.db2.gz SMWVKJKBPRNINJ-UHFFFAOYSA-N 1 0 308.342 0.983 20 5 DCBDRO [NH3+][C@H]1CCc2nn(-c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])cc2C1 ZINC001157988803 771708233 /nfs/dbraw/zinc/70/82/33/771708233.db2.gz OFZOBQKCCFOLKU-QMMMGPOBSA-N 1 0 309.713 0.883 20 5 DCBDRO Nc1nc(-n2nnc(-c3cccc(C[NH3+])c3)n2)ccc1[N+](=O)[O-] ZINC001158042707 771718314 /nfs/dbraw/zinc/71/83/14/771718314.db2.gz DIUCVOXTWLDRJD-UHFFFAOYSA-N 1 0 312.293 0.673 20 5 DCBDRO [NH3+][C@H]1CCN(C2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)C1 ZINC001158258976 771747803 /nfs/dbraw/zinc/74/78/03/771747803.db2.gz NBLFHQVLJDZYQU-NSHDSACASA-N 1 0 307.354 0.230 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001158635330 771797616 /nfs/dbraw/zinc/79/76/16/771797616.db2.gz GRBWQYDYYVJOBR-BXUZGUMPSA-N 1 0 306.322 0.721 20 5 DCBDRO C[N@H+](C1CN(c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])C1)[C@H]1CCOC1 ZINC001158731184 771815852 /nfs/dbraw/zinc/81/58/52/771815852.db2.gz GLIOMVLEDULCDE-VIFPVBQESA-N 1 0 323.309 0.807 20 5 DCBDRO CN(C)/C=C/c1cc(N2C[C@@H]([NH3+])C3(COC3)C2)ncc1[N+](=O)[O-] ZINC001158765726 771819254 /nfs/dbraw/zinc/81/92/54/771819254.db2.gz JHJCJYVDAGFABY-ITDFMYJTSA-N 1 0 319.365 0.686 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(-n2nnc3ccc(C[NH3+])cc32)n1 ZINC001159028419 771849834 /nfs/dbraw/zinc/84/98/34/771849834.db2.gz DFJVCTWQQGODHD-UHFFFAOYSA-N 1 0 315.293 0.894 20 5 DCBDRO [NH3+]CCOCCOCCNc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001159445573 771911431 /nfs/dbraw/zinc/91/14/31/771911431.db2.gz NFNCUHCMRYISLN-UHFFFAOYSA-N 1 0 320.733 0.285 20 5 DCBDRO [NH3+]CCOCCOCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC001159444589 771911440 /nfs/dbraw/zinc/91/14/40/771911440.db2.gz JPUPLAQTXDUSRB-UHFFFAOYSA-N 1 0 321.337 0.942 20 5 DCBDRO CN(C)/C=C/c1cc(-n2cc(C[NH3+])cnc2=N)ncc1[N+](=O)[O-] ZINC001161418089 772221198 /nfs/dbraw/zinc/22/11/98/772221198.db2.gz IOKNAKZNXDNLBQ-JAWWOKHWSA-N 1 0 315.337 0.646 20 5 DCBDRO COc1nc(-n2c(C[NH3+])nc3cnccc32)ncc1[N+](=O)[O-] ZINC001162215067 772342161 /nfs/dbraw/zinc/34/21/61/772342161.db2.gz OVXWBMRBJOSFSD-UHFFFAOYSA-N 1 0 301.266 0.586 20 5 DCBDRO COC(=O)c1ccnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c1[N+](=O)[O-] ZINC001162794114 772419074 /nfs/dbraw/zinc/41/90/74/772419074.db2.gz OAXIHNZEOKVBGZ-FBIMIBRVSA-N 1 0 304.306 0.962 20 5 DCBDRO COc1nc(SC)nc(N[C@@H]2COC[C@@H]2[NH3+])c1[N+](=O)[O-] ZINC001162917594 772431624 /nfs/dbraw/zinc/43/16/24/772431624.db2.gz QQYFKAXVAKOMEO-NTSWFWBYSA-N 1 0 301.328 0.253 20 5 DCBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1-n1cnnn1)[NH+](C)C ZINC001163006311 772442101 /nfs/dbraw/zinc/44/21/01/772442101.db2.gz DQMVMVRAAXSQEK-VIFPVBQESA-N 1 0 319.325 0.250 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1 ZINC001163147214 772471672 /nfs/dbraw/zinc/47/16/72/772471672.db2.gz JGCHYMBYQMDCDX-YUSALJHKSA-N 1 0 307.306 0.780 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ncnc3sc([N+](=O)[O-])cc32)N1 ZINC001163239385 772487391 /nfs/dbraw/zinc/48/73/91/772487391.db2.gz FMBPSYIZKSICHK-JVXZTZIISA-N 1 0 320.334 0.590 20 5 DCBDRO COc1c(F)cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163246852 772490224 /nfs/dbraw/zinc/49/02/24/772490224.db2.gz BGNZDOCKPLBJJD-GWCFXTLKSA-N 1 0 310.285 0.733 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163252757 772492572 /nfs/dbraw/zinc/49/25/72/772492572.db2.gz WWIFPXQFTVCEHU-BXUZGUMPSA-N 1 0 320.305 0.371 20 5 DCBDRO CCOC(=O)c1cn(-c2ncc(F)cc2[N+](=O)[O-])nc1C[NH3+] ZINC001163520852 772533311 /nfs/dbraw/zinc/53/33/11/772533311.db2.gz TUFWZNMSPWZKCS-UHFFFAOYSA-N 1 0 309.257 0.950 20 5 DCBDRO C[C@H]1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC1=O ZINC001164376696 772652843 /nfs/dbraw/zinc/65/28/43/772652843.db2.gz IUKVOQCJXNTWKJ-VIFPVBQESA-N 1 0 305.338 0.877 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1ncc2c1CC[NH2+]C2 ZINC001165220169 772707268 /nfs/dbraw/zinc/70/72/68/772707268.db2.gz HVXIKADVLNTHCH-UHFFFAOYSA-N 1 0 317.305 0.998 20 5 DCBDRO CCOc1nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)ccc1[N+](=O)[O-] ZINC001165282929 772716749 /nfs/dbraw/zinc/71/67/49/772716749.db2.gz HPXSLKVROJKZAF-YGRLFVJLSA-N 1 0 308.338 0.407 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2CCCO[C@]3(C[NH2+]CCOC3)C2)n1 ZINC001165343937 772725663 /nfs/dbraw/zinc/72/56/63/772725663.db2.gz MCVGLTWOEQXTEB-CQSZACIVSA-N 1 0 323.353 0.279 20 5 DCBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncc([N+](=O)[O-])cc1N ZINC001165407923 772733943 /nfs/dbraw/zinc/73/39/43/772733943.db2.gz BFOGAXUCNONVPW-KPXOXKRLSA-N 1 0 321.337 0.302 20 5 DCBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1cc(N)c([N+](=O)[O-])cn1 ZINC001165407519 772734006 /nfs/dbraw/zinc/73/40/06/772734006.db2.gz OISUMFOTTSKDJL-INTQDDNPSA-N 1 0 321.337 0.302 20 5 DCBDRO COc1ncnc(N2C[C@H](C3([NH3+])CC3)[C@H](CF)C2)c1[N+](=O)[O-] ZINC001165430323 772736107 /nfs/dbraw/zinc/73/61/07/772736107.db2.gz MSKUKHCRQGXBCM-BDAKNGLRSA-N 1 0 311.317 0.907 20 5 DCBDRO NC(=O)C1(C(=O)NCCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001165597095 772748645 /nfs/dbraw/zinc/74/86/45/772748645.db2.gz ZIJMLUFSTXDVEY-UHFFFAOYSA-N 1 0 320.349 0.456 20 5 DCBDRO COC(=O)c1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cn1 ZINC001223532335 775498330 /nfs/dbraw/zinc/49/83/30/775498330.db2.gz VNVPGAOSZYNZGG-GFCCVEGCSA-N 1 0 311.358 0.369 20 5 DCBDRO NC(=O)C(=O)NCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001224295380 775556050 /nfs/dbraw/zinc/55/60/50/775556050.db2.gz XKPCSISCLBUGNE-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1C[C@@H](C)OCCN1CC[NH+](C)CC1 ZINC001224550413 775583051 /nfs/dbraw/zinc/58/30/51/775583051.db2.gz VBZMWHPCTCKNMP-GFCCVEGCSA-N 1 0 311.386 0.752 20 5 DCBDRO Cn1nc(N)c2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc21 ZINC001226286441 775794352 /nfs/dbraw/zinc/79/43/52/775794352.db2.gz ODRJHRMSYQCMST-SNVBAGLBSA-N 1 0 307.374 0.518 20 5 DCBDRO CC(=O)N[C@@H](Cc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1)C(N)=O ZINC001227936517 776027270 /nfs/dbraw/zinc/02/72/70/776027270.db2.gz WMVRLZXWBYJJRY-LRDDRELGSA-O 1 0 322.429 0.693 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cn2nc(Cl)ccc2n1 ZINC001228847563 776130256 /nfs/dbraw/zinc/13/02/56/776130256.db2.gz ZLCWTQKZSFBHTA-SECBINFHSA-N 1 0 313.765 0.745 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1nc2c[nH]cc([N+](=O)[O-])c-2n1 ZINC001230230577 776267859 /nfs/dbraw/zinc/26/78/59/776267859.db2.gz VNQVQQUWDVIYJL-MRVPVSSYSA-N 1 0 324.317 0.229 20 5 DCBDRO COC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c(F)c1 ZINC001230319241 776281108 /nfs/dbraw/zinc/28/11/08/776281108.db2.gz QCNAOMOQTFYEIE-LLVKDONJSA-N 1 0 314.333 0.975 20 5 DCBDRO CC(=O)N1CCc2c1cccc2OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001230482048 776319954 /nfs/dbraw/zinc/31/99/54/776319954.db2.gz AGGDWLLMHNQCHO-CYBMUJFWSA-N 1 0 321.397 0.958 20 5 DCBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn[nH]n1 ZINC001268460658 940149394 /nfs/dbraw/zinc/14/93/94/940149394.db2.gz HTCDIQONRYLVCL-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO Cc1cccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001272162298 941760503 /nfs/dbraw/zinc/76/05/03/941760503.db2.gz JHBSSLCTULYRGX-HUUCEWRRSA-N 1 0 321.377 0.571 20 5 DCBDRO CN(C)c1ccccc1C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001317448351 944976087 /nfs/dbraw/zinc/97/60/87/944976087.db2.gz SCRKXKBLSASSQA-UKRRQHHQSA-N 1 0 320.393 0.966 20 5 DCBDRO COc1ccc(C[C@H](C)N[C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001246307459 945381081 /nfs/dbraw/zinc/38/10/81/945381081.db2.gz MTDSEGLOQVLBQA-VHRBIJSZSA-N 1 0 309.366 0.704 20 5 DCBDRO Cc1nn(C)c(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001318606276 945412210 /nfs/dbraw/zinc/41/22/10/945412210.db2.gz GXRUTILYEJYHFH-SNVBAGLBSA-N 1 0 324.385 0.002 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CNCCN1)CC2 ZINC001246493927 945419732 /nfs/dbraw/zinc/41/97/32/945419732.db2.gz GTLSNDDKBYGNQH-LSDHHAIUSA-N 1 0 304.394 0.993 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2C[NH2+]C[C@H](O)C2)n1 ZINC001247749442 945572143 /nfs/dbraw/zinc/57/21/43/945572143.db2.gz PUXIZUHOMBUQHP-POYBYMJQSA-N 1 0 309.257 0.617 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001319591278 945626718 /nfs/dbraw/zinc/62/67/18/945626718.db2.gz GDGPBCXROMBNKY-VXGBXAGGSA-N 1 0 320.349 0.500 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])n1cnc(C[C@H]([NH3+])C(N)=O)c1 ZINC001254550158 946410137 /nfs/dbraw/zinc/41/01/37/946410137.db2.gz DRGYWAPXDOVMIX-MFKMUULPSA-N 1 0 317.349 0.950 20 5 DCBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cocn1 ZINC001322439052 946678368 /nfs/dbraw/zinc/67/83/68/946678368.db2.gz AFBJUGUNWASCEO-UHFFFAOYSA-N 1 0 322.325 0.568 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001261370985 947261945 /nfs/dbraw/zinc/26/19/45/947261945.db2.gz AMIBQJWCFSOKKL-SNVBAGLBSA-N 1 0 308.338 0.956 20 5 DCBDRO COCC1(CNC(=O)c2c([N+](=O)[O-])cnn2C)CC[NH2+]CC1 ZINC001261468931 947306968 /nfs/dbraw/zinc/30/69/68/947306968.db2.gz PLRCEIFPBXLVBV-UHFFFAOYSA-N 1 0 311.342 0.074 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC001324277304 947375887 /nfs/dbraw/zinc/37/58/87/947375887.db2.gz GBCOWXJGPXRKEG-KOLCDFICSA-N 1 0 320.296 0.102 20 5 DCBDRO O=C(Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)N1CC[NH2+]CC1 ZINC001328180861 948735388 /nfs/dbraw/zinc/73/53/88/948735388.db2.gz CCRYXYBSIQDIDT-UHFFFAOYSA-N 1 0 315.333 0.890 20 5 DCBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328190881 948736812 /nfs/dbraw/zinc/73/68/12/948736812.db2.gz ULYNSYQKXODSLB-CYBMUJFWSA-N 1 0 318.333 0.305 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001263709190 948738021 /nfs/dbraw/zinc/73/80/21/948738021.db2.gz KGHPQTJQZMDIGY-RISCZKNCSA-N 1 0 304.350 0.599 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001328731983 949059258 /nfs/dbraw/zinc/05/92/58/949059258.db2.gz GTUCHEKKDYBGEI-WDEREUQCSA-N 1 0 322.365 0.886 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001328731980 949060041 /nfs/dbraw/zinc/06/00/41/949060041.db2.gz GTUCHEKKDYBGEI-MNOVXSKESA-N 1 0 322.365 0.886 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnc(C)o1 ZINC001265113130 949311788 /nfs/dbraw/zinc/31/17/88/949311788.db2.gz AZKKBHVBSOGNJN-CHWSQXEVSA-N 1 0 310.354 0.976 20 5 DCBDRO CC/C=C/CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001265258166 949501439 /nfs/dbraw/zinc/50/14/39/949501439.db2.gz AURMDNHYTIBGTN-LRPXVYOUSA-N 1 0 324.425 0.742 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N1CCOC2(C[NH2+]C2)C1 ZINC001333755886 952145773 /nfs/dbraw/zinc/14/57/73/952145773.db2.gz WDDWXPTUZMRXBB-ZZXKWVIFSA-N 1 0 303.318 0.809 20 5 DCBDRO COc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC001335384280 952529122 /nfs/dbraw/zinc/52/91/22/952529122.db2.gz ZPCVFIMGHZVIIN-ZDUSSCGKSA-N 1 0 321.337 0.388 20 5 DCBDRO C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC001335395312 952531327 /nfs/dbraw/zinc/53/13/27/952531327.db2.gz DVTJSEWIPGUFHY-NSHDSACASA-N 1 0 322.365 0.792 20 5 DCBDRO CN(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485169 952543619 /nfs/dbraw/zinc/54/36/19/952543619.db2.gz KVYIAANPIXSRJU-MELADBBJSA-N 1 0 323.397 0.615 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001337113849 952813328 /nfs/dbraw/zinc/81/33/28/952813328.db2.gz ULBBJDJVSSSZGA-QMMMGPOBSA-N 1 0 302.281 0.908 20 5 DCBDRO C[C@H](c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001338056526 952955760 /nfs/dbraw/zinc/95/57/60/952955760.db2.gz KWZDAKKXVQFKPH-NEPJUHHUSA-N 1 0 324.385 0.311 20 5 DCBDRO C[C@@H](c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C)[N+](=O)[O-] ZINC001339542313 953101493 /nfs/dbraw/zinc/10/14/93/953101493.db2.gz RMQNFFJLAOFTAF-NSHDSACASA-N 1 0 324.385 0.454 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC001341108262 953211155 /nfs/dbraw/zinc/21/11/55/953211155.db2.gz GDGVXNPXGBTJSO-UHFFFAOYSA-N 1 0 307.354 0.028 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341232123 953218475 /nfs/dbraw/zinc/21/84/75/953218475.db2.gz HQHVFRGEPXLKKL-HNNXBMFYSA-N 1 0 320.349 0.501 20 5 DCBDRO CCOC(=O)c1cc(C(=O)NOC[C@H](C)[NH3+])cc([N+](=O)[O-])c1 ZINC001342061117 953267355 /nfs/dbraw/zinc/26/73/55/953267355.db2.gz UIRFSZYEONTLKL-QMMMGPOBSA-N 1 0 311.294 0.780 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC001343103410 953322860 /nfs/dbraw/zinc/32/28/60/953322860.db2.gz ICVUGCMELUUQNC-AWEZNQCLSA-N 1 0 307.350 0.974 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1ccn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001282295189 953539566 /nfs/dbraw/zinc/53/95/66/953539566.db2.gz RLIAFEXUXAXYAA-CHWSQXEVSA-N 1 0 323.397 0.660 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCNCC[NH2+]CC1 ZINC001344975260 953571449 /nfs/dbraw/zinc/57/14/49/953571449.db2.gz XBHIBOTVLSOEIA-UHFFFAOYSA-N 1 0 307.354 0.272 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CCn3c(nnc3C(F)F)C2)c1 ZINC001346114461 953802755 /nfs/dbraw/zinc/80/27/55/953802755.db2.gz XZXDGUYRCJASRW-UHFFFAOYSA-N 1 0 313.268 0.836 20 5 DCBDRO CCCNC(=O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC001346618521 953930636 /nfs/dbraw/zinc/93/06/36/953930636.db2.gz CESNOKSSLLCZSO-GFCCVEGCSA-N 1 0 311.338 0.450 20 5 DCBDRO C[C@@]1(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001300610592 956387087 /nfs/dbraw/zinc/38/70/87/956387087.db2.gz PESIVFQIPRITRA-CQSZACIVSA-N 1 0 305.338 0.786 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC001307137060 960142486 /nfs/dbraw/zinc/14/24/86/960142486.db2.gz UOZWCPHYWSOYGL-UHFFFAOYSA-N 1 0 309.370 0.659 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001523580898 1014723875 /nfs/dbraw/zinc/72/38/75/1014723875.db2.gz LIHOFUVBPNQRAF-GFCCVEGCSA-N 1 0 309.322 0.420 20 5 DCBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001467581555 1016184879 /nfs/dbraw/zinc/18/48/79/1016184879.db2.gz RMNIHTYXZMMORA-NSHDSACASA-N 1 0 324.381 1.000 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cc3nn[nH]n3)CC2)n1 ZINC001473764712 1016962366 /nfs/dbraw/zinc/96/23/66/1016962366.db2.gz RBULRVNUTYPZCW-UHFFFAOYSA-N 1 0 306.330 0.259 20 5 DCBDRO C[C@@H](COC(=O)Cn1ccc([N+](=O)[O-])n1)C[NH+]1CCOCC1 ZINC001519999482 1017239308 /nfs/dbraw/zinc/23/93/08/1017239308.db2.gz UKZBBJGSBIQLSA-LLVKDONJSA-N 1 0 312.326 0.303 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)n1 ZINC001443594230 1010521961 /nfs/dbraw/zinc/52/19/61/1010521961.db2.gz BSVFASPTDRZHLS-GFCCVEGCSA-N 1 0 321.381 0.664 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC001556895180 1012238889 /nfs/dbraw/zinc/23/88/89/1012238889.db2.gz JNTHUQUXKYZTCI-TVQRCGJNSA-N 1 0 305.338 0.504 20 5 DCBDRO C[C@@H]1[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001558424814 1012354802 /nfs/dbraw/zinc/35/48/02/1012354802.db2.gz BKZBFOLSGYKCGX-ZYHUDNBSSA-N 1 0 321.333 0.995 20 5 DCBDRO CCO[C@@H](CNC(=O)Cn1c(C)ncc1[N+](=O)[O-])C[NH+](C)C ZINC001537722297 1012404067 /nfs/dbraw/zinc/40/40/67/1012404067.db2.gz VXPNEAVPDOOSNH-NSHDSACASA-N 1 0 313.358 0.183 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001559909553 1012435040 /nfs/dbraw/zinc/43/50/40/1012435040.db2.gz IVXNAIUUCHSPDG-QWHCGFSZSA-N 1 0 323.349 0.571 20 5 DCBDRO NC(=O)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001479393938 1017536951 /nfs/dbraw/zinc/53/69/51/1017536951.db2.gz PKTAFTBIFOSRHF-XYPYZODXSA-N 1 0 306.322 0.065 20 5 DCBDRO COC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001493487828 1019457186 /nfs/dbraw/zinc/45/71/86/1019457186.db2.gz RTWRXOAZXRVDII-UHFFFAOYSA-N 1 0 324.337 0.499 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1ncc([N+](=O)[O-])c(N)n1 ZINC000278703410 214338818 /nfs/dbraw/zinc/33/88/18/214338818.db2.gz IOJPOXXUKBFRCI-SNVBAGLBSA-N 1 0 322.369 0.657 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000090289978 185289591 /nfs/dbraw/zinc/28/95/91/185289591.db2.gz DNAARGFNNUGOAT-UHFFFAOYSA-N 1 0 301.324 0.196 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000415335987 529730110 /nfs/dbraw/zinc/73/01/10/529730110.db2.gz MEAWHHGMBJDUMZ-SNVBAGLBSA-N 1 0 320.349 0.916 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1 ZINC000315438631 291253436 /nfs/dbraw/zinc/25/34/36/291253436.db2.gz YWZKVIKTYIWPAF-MCIONIFRSA-N 1 0 309.370 0.369 20 5 DCBDRO Cn1cnc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)n1 ZINC000566110610 291270603 /nfs/dbraw/zinc/27/06/03/291270603.db2.gz NHALFCGYNBFKCU-LBPRGKRZSA-N 1 0 321.337 0.295 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566490233 291307740 /nfs/dbraw/zinc/30/77/40/291307740.db2.gz FHHMTUQITGGQHX-BDSSXFGHSA-N 1 0 316.361 0.852 20 5 DCBDRO C[NH2+][C@@H](C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420428857 240027684 /nfs/dbraw/zinc/02/76/84/240027684.db2.gz LQVJUCNNHBXWPX-JTQLQIEISA-N 1 0 301.368 0.665 20 5 DCBDRO C[NH+]1CCN(CCNc2c(C(N)=O)cccc2[N+](=O)[O-])CC1 ZINC000420585935 240046909 /nfs/dbraw/zinc/04/69/09/240046909.db2.gz NUGBVJGUUBFCJY-UHFFFAOYSA-N 1 0 307.354 0.353 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000441608692 240528478 /nfs/dbraw/zinc/52/84/78/240528478.db2.gz DUKAJBZIBNSMJH-JTQLQIEISA-N 1 0 308.338 0.426 20 5 DCBDRO Cn1cc([C@H](CO)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000275205542 212193797 /nfs/dbraw/zinc/19/37/97/212193797.db2.gz REYFYSZIYOMEHC-UONOGXRCSA-N 1 0 306.322 0.685 20 5 DCBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)[C@H]1CC[NH2+]C1 ZINC000569104355 291462001 /nfs/dbraw/zinc/46/20/01/291462001.db2.gz GCSAFCWPADKKJT-VIFPVBQESA-N 1 0 322.321 0.556 20 5 DCBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1(C(N)=O)CCCC1 ZINC000093212132 193217622 /nfs/dbraw/zinc/21/76/22/193217622.db2.gz VXPXCWFBSVKFSC-UHFFFAOYSA-N 1 0 308.338 0.486 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000264753510 204128910 /nfs/dbraw/zinc/12/89/10/204128910.db2.gz SUCWPOZFGSFRBZ-GFCCVEGCSA-N 1 0 322.365 0.336 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc([N+](=O)[O-])c2nonc21 ZINC000264752407 204129572 /nfs/dbraw/zinc/12/95/72/204129572.db2.gz MJMBBJYXEJTWOQ-VIFPVBQESA-N 1 0 306.326 0.789 20 5 DCBDRO COC[C@H](O)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000282800491 217259145 /nfs/dbraw/zinc/25/91/45/217259145.db2.gz ZIERCDDZHWGJRE-SNVBAGLBSA-N 1 0 300.311 0.709 20 5 DCBDRO COC(=O)c1cn(CC[NH2+]Cc2ccccc2[N+](=O)[O-])nn1 ZINC000341260399 253361491 /nfs/dbraw/zinc/36/14/91/253361491.db2.gz DYKSGGTYHVALGS-UHFFFAOYSA-N 1 0 305.294 0.763 20 5 DCBDRO CN(CC[NH+](C)C)c1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272951673 210338430 /nfs/dbraw/zinc/33/84/30/210338430.db2.gz XQLKGVWJZRTMNW-UHFFFAOYSA-N 1 0 302.356 0.240 20 5 DCBDRO COc1cc(OCC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000294697186 533091019 /nfs/dbraw/zinc/09/10/19/533091019.db2.gz AMXFUVQLTYGNJS-MSRIBSCDSA-N 1 0 307.306 0.316 20 5 DCBDRO CCCc1n[nH]c(C(=O)NCCNc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000346187554 254020485 /nfs/dbraw/zinc/02/04/85/254020485.db2.gz DXZQPMKFFLWSPT-UHFFFAOYSA-N 1 0 318.337 0.929 20 5 DCBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H](C)C1 ZINC000346185085 254020526 /nfs/dbraw/zinc/02/05/26/254020526.db2.gz NSULXDRDCMOBFD-SRVKXCTJSA-N 1 0 322.369 0.375 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2CN2CCOCC2)n1 ZINC000176270022 285167935 /nfs/dbraw/zinc/16/79/35/285167935.db2.gz XWSNJSPEBPCWPG-ZDUSSCGKSA-N 1 0 309.370 0.588 20 5 DCBDRO C[NH+](C)CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000347187762 254137316 /nfs/dbraw/zinc/13/73/16/254137316.db2.gz XWVZUABJBQMOQI-UHFFFAOYSA-N 1 0 317.367 0.451 20 5 DCBDRO Cc1ccc(C[NH2+]C[C@H]2CS(=O)(=O)CCO2)cc1[N+](=O)[O-] ZINC000350780039 254325724 /nfs/dbraw/zinc/32/57/24/254325724.db2.gz DBOUKKJUTREGBC-LBPRGKRZSA-N 1 0 314.363 0.806 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000349954722 254306063 /nfs/dbraw/zinc/30/60/63/254306063.db2.gz YJBDHFYMROKNOM-ZJUUUORDSA-N 1 0 308.338 0.567 20 5 DCBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC[N@@H+]1CC(C)(C)O ZINC000275542963 130332466 /nfs/dbraw/zinc/33/24/66/130332466.db2.gz GZKPETZRLFKAFD-JTQLQIEISA-N 1 0 310.354 0.840 20 5 DCBDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193641344 395775379 /nfs/dbraw/zinc/77/53/79/395775379.db2.gz JZNSLEVIHQEJAG-SCDSUCTJSA-N 1 0 323.349 0.449 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000048269916 395812580 /nfs/dbraw/zinc/81/25/80/395812580.db2.gz QUBFNSRNIHYLHN-UHFFFAOYSA-N 1 0 316.321 0.535 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000052093598 395858882 /nfs/dbraw/zinc/85/88/82/395858882.db2.gz ZSTNYEHAXNSKOK-MRVPVSSYSA-N 1 0 301.324 0.244 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209478398 395835480 /nfs/dbraw/zinc/83/54/80/395835480.db2.gz KYFRGIDEFUKMEY-PWSUYJOCSA-N 1 0 311.363 0.886 20 5 DCBDRO CS[C@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1[NH+](C)C ZINC000271215825 395847445 /nfs/dbraw/zinc/84/74/45/395847445.db2.gz ZFTLGDHLUCDPDV-ZJUUUORDSA-N 1 0 313.383 0.295 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000125968319 395908449 /nfs/dbraw/zinc/90/84/49/395908449.db2.gz RXMXUYIXXNTAPR-SNVBAGLBSA-N 1 0 302.294 0.267 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237580147 395916068 /nfs/dbraw/zinc/91/60/68/395916068.db2.gz QLOZOMMHQVWQEM-GFCCVEGCSA-N 1 0 309.370 0.996 20 5 DCBDRO O=C(NCC[NH2+]C1CC1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000238106004 395921486 /nfs/dbraw/zinc/92/14/86/395921486.db2.gz RNYWEXKZKQXICL-UHFFFAOYSA-N 1 0 316.317 0.918 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 ZINC000273441910 395921921 /nfs/dbraw/zinc/92/19/21/395921921.db2.gz DCMASTWOKNTEEF-VIFPVBQESA-N 1 0 314.367 0.606 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000119060610 395867307 /nfs/dbraw/zinc/86/73/07/395867307.db2.gz INRVZSRHKOTCMM-LBPRGKRZSA-N 1 0 305.342 0.795 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1CN(C)CCO1 ZINC000134989647 395936107 /nfs/dbraw/zinc/93/61/07/395936107.db2.gz OAASGDGIWIAZPE-CABZTGNLSA-N 1 0 308.338 0.626 20 5 DCBDRO C[NH+](C)CCn1cc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cn1 ZINC000061634876 395969636 /nfs/dbraw/zinc/96/96/36/395969636.db2.gz RFPHVGQYWBEAEP-UHFFFAOYSA-N 1 0 321.341 0.578 20 5 DCBDRO O=C(C[NH2+]C[C@H]1CCCO1)NCCNc1ccccc1[N+](=O)[O-] ZINC000150758107 395972066 /nfs/dbraw/zinc/97/20/66/395972066.db2.gz FRIJYSUIEGJUQH-GFCCVEGCSA-N 1 0 322.365 0.892 20 5 DCBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C ZINC000248969235 396001060 /nfs/dbraw/zinc/00/10/60/396001060.db2.gz CGNPGLNJSXIPLR-DGCLKSJQSA-N 1 0 323.349 0.888 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000274846016 395981352 /nfs/dbraw/zinc/98/13/52/395981352.db2.gz XKGUZLHDNFNHSK-NSHDSACASA-N 1 0 310.266 0.303 20 5 DCBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000151269591 395983155 /nfs/dbraw/zinc/98/31/55/395983155.db2.gz GJALCPIAHBRUEY-GFCCVEGCSA-N 1 0 324.385 0.965 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000261693690 396056866 /nfs/dbraw/zinc/05/68/66/396056866.db2.gz JIIBYXQUECAMFR-SNVBAGLBSA-N 1 0 322.321 0.224 20 5 DCBDRO Cn1ccnc1[C@@H]1C[NH2+]CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000261769825 396064310 /nfs/dbraw/zinc/06/43/10/396064310.db2.gz NWDOVQFJAGMZCZ-NSHDSACASA-N 1 0 305.342 0.171 20 5 DCBDRO COC(=O)COc1ccc(CN2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261827383 396070565 /nfs/dbraw/zinc/07/05/65/396070565.db2.gz ITUGNYBNMCQHEQ-NSHDSACASA-N 1 0 309.322 0.680 20 5 DCBDRO COC(=O)[C@H]1C[C@@H](O)CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000276592628 396013275 /nfs/dbraw/zinc/01/32/75/396013275.db2.gz KQQGIAUVJNPFKB-TZMCWYRMSA-N 1 0 324.333 0.972 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C ZINC000252419036 396018713 /nfs/dbraw/zinc/01/87/13/396018713.db2.gz WBGWBSXJYZILTJ-PJXYFTJBSA-N 1 0 311.363 0.708 20 5 DCBDRO COC(=O)COc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000262047142 396093836 /nfs/dbraw/zinc/09/38/36/396093836.db2.gz PWNGMNHEBVCCFU-CMPLNLGQSA-N 1 0 323.349 0.926 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000071397540 396113205 /nfs/dbraw/zinc/11/32/05/396113205.db2.gz SSCIXBASSSFEGV-SECBINFHSA-N 1 0 315.351 0.634 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277614017 396077765 /nfs/dbraw/zinc/07/77/65/396077765.db2.gz BBLPTJALKNQSAS-JTQLQIEISA-N 1 0 310.310 0.146 20 5 DCBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261946372 396082492 /nfs/dbraw/zinc/08/24/92/396082492.db2.gz VSCPRABFUHQCNM-LBPRGKRZSA-N 1 0 322.340 0.854 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000262572985 396156985 /nfs/dbraw/zinc/15/69/85/396156985.db2.gz SPIFSTXPVPWDRK-NSHDSACASA-N 1 0 309.322 0.598 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000176659104 396159201 /nfs/dbraw/zinc/15/92/01/396159201.db2.gz MOAWXGUWVJEXNE-UHFFFAOYSA-N 1 0 321.381 0.544 20 5 DCBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000177031646 396164569 /nfs/dbraw/zinc/16/45/69/396164569.db2.gz AVBRUBAQEAGJNH-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO C[N@@H+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1(C)C ZINC000281850921 396244597 /nfs/dbraw/zinc/24/45/97/396244597.db2.gz ULWDQCSIWIWVAE-UHFFFAOYSA-N 1 0 310.354 0.944 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000079939885 396272655 /nfs/dbraw/zinc/27/26/55/396272655.db2.gz KYURKXYBOCKWJJ-UHFFFAOYSA-N 1 0 324.381 0.725 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000183750704 396274004 /nfs/dbraw/zinc/27/40/04/396274004.db2.gz YIRZLMQOBCBPFF-UHFFFAOYSA-N 1 0 322.365 0.653 20 5 DCBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN1CCOCC1 ZINC000083244454 396314056 /nfs/dbraw/zinc/31/40/56/396314056.db2.gz DANPXCVDDVOZLS-MRXNPFEDSA-N 1 0 323.393 0.762 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000185049689 396316138 /nfs/dbraw/zinc/31/61/38/396316138.db2.gz LZVSIOHRAQRQOW-YNEHKIRRSA-N 1 0 321.381 0.994 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000266768167 396352829 /nfs/dbraw/zinc/35/28/29/396352829.db2.gz RMJLCXDTXXUTQO-CYBMUJFWSA-N 1 0 320.353 0.755 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286015552 396369861 /nfs/dbraw/zinc/36/98/61/396369861.db2.gz ADWZXFWHIQFJIF-ZDUSSCGKSA-N 1 0 312.326 0.861 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]2C1 ZINC000192920218 396440452 /nfs/dbraw/zinc/44/04/52/396440452.db2.gz NXNKTRXMTSJWPE-PHIMTYICSA-N 1 0 311.363 0.777 20 5 DCBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000515376339 396504291 /nfs/dbraw/zinc/50/42/91/396504291.db2.gz JITRVCRTLIRXKT-WCQYABFASA-N 1 0 320.353 0.553 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000270360982 396464922 /nfs/dbraw/zinc/46/49/22/396464922.db2.gz BQMVNSUNDLXNMX-OAHLLOKOSA-N 1 0 324.381 0.749 20 5 DCBDRO Cc1nc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c(C)o1 ZINC000580182934 396491210 /nfs/dbraw/zinc/49/12/10/396491210.db2.gz LVQWVQRGZNXBHR-LBPRGKRZSA-N 1 0 309.326 0.589 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)c1 ZINC000580710307 396494335 /nfs/dbraw/zinc/49/43/35/396494335.db2.gz ZGIQMTHERPTVTH-AAVRWANBSA-N 1 0 310.354 0.699 20 5 DCBDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000581126358 396528133 /nfs/dbraw/zinc/52/81/33/396528133.db2.gz GUDQBSFVTAMDOI-BNOWGMLFSA-N 1 0 312.370 0.945 20 5 DCBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000595118440 396551302 /nfs/dbraw/zinc/55/13/02/396551302.db2.gz ADPBRBCWIAOSNC-SNVBAGLBSA-N 1 0 301.368 0.665 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000581559204 396565056 /nfs/dbraw/zinc/56/50/56/396565056.db2.gz QGSUHABHJLZYRO-NXEZZACHSA-N 1 0 316.321 0.219 20 5 DCBDRO Cc1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000581677571 396575272 /nfs/dbraw/zinc/57/52/72/396575272.db2.gz GHCKQIATFUFCPG-STQMWFEESA-N 1 0 318.333 0.287 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccnn1CC[NH+](C)C ZINC000294036121 396649567 /nfs/dbraw/zinc/64/95/67/396649567.db2.gz KHBNPWMQVKOYJU-UHFFFAOYSA-N 1 0 321.341 0.497 20 5 DCBDRO CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000293747071 396630440 /nfs/dbraw/zinc/63/04/40/396630440.db2.gz XUSCWUIBTADKQO-ZYHUDNBSSA-N 1 0 316.383 0.737 20 5 DCBDRO Nc1c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862457 396695872 /nfs/dbraw/zinc/69/58/72/396695872.db2.gz BRFBKASRIDNOAI-GHMZBOCLSA-N 1 0 320.349 0.458 20 5 DCBDRO Cc1cccc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000588873814 396696585 /nfs/dbraw/zinc/69/65/85/396696585.db2.gz QHPIVKOGGUEWCE-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000588864670 396696927 /nfs/dbraw/zinc/69/69/27/396696927.db2.gz MYOGAYXUHAPNLN-LBPRGKRZSA-N 1 0 322.365 0.821 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595961446 396697522 /nfs/dbraw/zinc/69/75/22/396697522.db2.gz LWPJQUMNRDZIMR-JTQLQIEISA-N 1 0 322.365 0.909 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000595982273 396702860 /nfs/dbraw/zinc/70/28/60/396702860.db2.gz DNYAICFNCRFITM-LLVKDONJSA-N 1 0 322.365 0.769 20 5 DCBDRO Nc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1[N+](=O)[O-] ZINC000596052627 396711738 /nfs/dbraw/zinc/71/17/38/396711738.db2.gz FWWSWDOXGHIODP-NSHDSACASA-N 1 0 307.354 0.873 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000596052164 396711799 /nfs/dbraw/zinc/71/17/99/396711799.db2.gz TXLIRHOPOJAWFZ-GFCCVEGCSA-N 1 0 315.351 0.634 20 5 DCBDRO C[C@@]1(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000596052160 396712143 /nfs/dbraw/zinc/71/21/43/396712143.db2.gz TWBWRSJJJHBMAV-CYBMUJFWSA-N 1 0 313.379 0.809 20 5 DCBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc([N+](=O)[O-])c[nH]1 ZINC000610925108 396784947 /nfs/dbraw/zinc/78/49/47/396784947.db2.gz OLBOGVJFHGZIGM-NSHDSACASA-N 1 0 308.338 0.906 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000304309261 396729986 /nfs/dbraw/zinc/72/99/86/396729986.db2.gz JWAZYNPMLQMEAR-MGPQQGTHSA-N 1 0 310.354 0.796 20 5 DCBDRO CN1CC[NH+](CC2CN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000590400264 396772077 /nfs/dbraw/zinc/77/20/77/396772077.db2.gz SBXZASREHMNGJS-UHFFFAOYSA-N 1 0 318.377 0.914 20 5 DCBDRO C[C@H](O)[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000564205020 396814807 /nfs/dbraw/zinc/81/48/07/396814807.db2.gz UKEQROCUYBNKQW-UWVGGRQHSA-N 1 0 317.367 0.232 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000591419303 396917396 /nfs/dbraw/zinc/91/73/96/396917396.db2.gz VKLNSJAAGQQAAB-SNVBAGLBSA-N 1 0 320.349 0.549 20 5 DCBDRO O=C1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)N1 ZINC000591763757 396998343 /nfs/dbraw/zinc/99/83/43/396998343.db2.gz HMCSXRUTYHHXHQ-WCQYABFASA-N 1 0 323.349 0.593 20 5 DCBDRO CN(C)c1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000591757397 396998938 /nfs/dbraw/zinc/99/89/38/396998938.db2.gz XCGHICMSISINNP-ZDUSSCGKSA-N 1 0 320.353 0.403 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2COc3ccccc32)c1 ZINC000571636779 396971633 /nfs/dbraw/zinc/97/16/33/396971633.db2.gz QGRNZIMHDLRBPN-AAEUAGOBSA-N 1 0 318.333 0.918 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000591685917 396977233 /nfs/dbraw/zinc/97/72/33/396977233.db2.gz YHBBXYVLYRJSDU-NSHDSACASA-N 1 0 306.322 0.015 20 5 DCBDRO C[NH+](C)CC1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000597708463 397070659 /nfs/dbraw/zinc/07/06/59/397070659.db2.gz LXWHMOJSEHQBFL-UHFFFAOYSA-N 1 0 307.306 0.957 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000597652868 397044874 /nfs/dbraw/zinc/04/48/74/397044874.db2.gz FOYGPSXBXNQIRW-LLVKDONJSA-N 1 0 311.338 0.402 20 5 DCBDRO O=C1[C@H](N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601327683 397059369 /nfs/dbraw/zinc/05/93/69/397059369.db2.gz VOKSWUVPWCPEAC-LEWSCRJBSA-N 1 0 302.334 0.746 20 5 DCBDRO COc1ccc(NC(=O)CN2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC000601327660 397059909 /nfs/dbraw/zinc/05/99/09/397059909.db2.gz VHPXSTIFNJHDEG-UWVGGRQHSA-N 1 0 306.322 0.588 20 5 DCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612789046 397138955 /nfs/dbraw/zinc/13/89/55/397138955.db2.gz HMDLKFVORJQKBO-GFCCVEGCSA-N 1 0 320.353 0.303 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)C(F)(F)F ZINC000592431366 397175118 /nfs/dbraw/zinc/17/51/18/397175118.db2.gz XPXKADYIAFWSGR-NBEYISGCSA-N 1 0 312.248 0.054 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601557290 397176100 /nfs/dbraw/zinc/17/61/00/397176100.db2.gz NLWPQRIDYVFORL-WCQYABFASA-N 1 0 307.354 0.782 20 5 DCBDRO [NH3+]CCOCC(=O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592186945 397116398 /nfs/dbraw/zinc/11/63/98/397116398.db2.gz CVJLXOFYISVNFE-UHFFFAOYSA-N 1 0 323.349 0.940 20 5 DCBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475182 397186794 /nfs/dbraw/zinc/18/67/94/397186794.db2.gz ZVNFXNMZTSICNH-MISXGVKJSA-N 1 0 322.365 0.970 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598219414 397189770 /nfs/dbraw/zinc/18/97/70/397189770.db2.gz LNUIYRFHHHPGKX-NSHDSACASA-N 1 0 322.369 0.710 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000592548403 397207587 /nfs/dbraw/zinc/20/75/87/397207587.db2.gz OXLMVMSKHMTQOL-LBPRGKRZSA-N 1 0 307.306 0.572 20 5 DCBDRO CC1(C)CC[C@H](CO)[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648089 397266939 /nfs/dbraw/zinc/26/69/39/397266939.db2.gz NQBBXNVEEQOEHK-YPMHNXCESA-N 1 0 312.370 0.635 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000389927364 397298161 /nfs/dbraw/zinc/29/81/61/397298161.db2.gz VABOCWATDBNSFF-NSHDSACASA-N 1 0 315.351 0.252 20 5 DCBDRO C[NH+](C)CCCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598894190 397304344 /nfs/dbraw/zinc/30/43/44/397304344.db2.gz JPEBKMPTKIHNBY-UHFFFAOYSA-N 1 0 323.353 0.784 20 5 DCBDRO C[C@@H](C[NH+](C)C)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598625360 397263620 /nfs/dbraw/zinc/26/36/20/397263620.db2.gz OSWULYATUUHOOH-JTQLQIEISA-N 1 0 310.358 0.583 20 5 DCBDRO C[NH2+]CCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000599108411 397339315 /nfs/dbraw/zinc/33/93/15/397339315.db2.gz XTMJRHHQSOFACI-UHFFFAOYSA-N 1 0 317.367 0.418 20 5 DCBDRO CS(=O)(=O)N1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000400236665 397318009 /nfs/dbraw/zinc/31/80/09/397318009.db2.gz GUGONZVCULXYOZ-GFCCVEGCSA-N 1 0 313.379 0.761 20 5 DCBDRO CS(=O)(=O)N1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000400236668 397318502 /nfs/dbraw/zinc/31/85/02/397318502.db2.gz GUGONZVCULXYOZ-LBPRGKRZSA-N 1 0 313.379 0.761 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000578442566 397436589 /nfs/dbraw/zinc/43/65/89/397436589.db2.gz YAHOXDQVYSORHM-NXEZZACHSA-N 1 0 314.367 0.880 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CNCCO2)n1 ZINC000423545532 397395042 /nfs/dbraw/zinc/39/50/42/397395042.db2.gz CXROHTYNQGUDNB-FRRDWIJNSA-N 1 0 309.370 0.853 20 5 DCBDRO O=C(CC[NH2+]C[C@H](O)[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000578323431 397420200 /nfs/dbraw/zinc/42/02/00/397420200.db2.gz IJSAZBFRJTYPFB-RISCZKNCSA-N 1 0 323.349 0.910 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](CO)COC(C)C ZINC000602818514 397495148 /nfs/dbraw/zinc/49/51/48/397495148.db2.gz FJVBALUOUFCVRJ-GFCCVEGCSA-N 1 0 300.359 0.817 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000599605506 397485772 /nfs/dbraw/zinc/48/57/72/397485772.db2.gz YQEWSQUZWLNMSY-VIFPVBQESA-N 1 0 310.310 0.713 20 5 DCBDRO Cn1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938622 397545830 /nfs/dbraw/zinc/54/58/30/397545830.db2.gz QXIWQUQSVFRUEE-WDEREUQCSA-N 1 0 308.338 0.214 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c1 ZINC000579705550 397588821 /nfs/dbraw/zinc/58/88/21/397588821.db2.gz POLSMFSZBAMLOE-BNOWGMLFSA-N 1 0 310.354 0.699 20 5 DCBDRO Cn1cc(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000604558621 397643921 /nfs/dbraw/zinc/64/39/21/397643921.db2.gz JHBSYHUOBMJURW-ZDUSSCGKSA-N 1 0 306.322 0.858 20 5 DCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([N+](=O)[O-])n2C)C1 ZINC000609269916 397768344 /nfs/dbraw/zinc/76/83/44/397768344.db2.gz ZQUGTNWVSMCVGX-LLVKDONJSA-N 1 0 310.354 0.774 20 5 DCBDRO CC(C)C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[NH+](C)C ZINC000073527657 158055370 /nfs/dbraw/zinc/05/53/70/158055370.db2.gz OEUIRFPWMVCFLT-ZDUSSCGKSA-N 1 0 324.381 0.849 20 5 DCBDRO CNS(=O)(=O)c1ccc(NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000131920162 158307147 /nfs/dbraw/zinc/30/71/47/158307147.db2.gz LIHYNFUILMUQHW-VIFPVBQESA-N 1 0 314.367 0.524 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@](C)(O)C[NH+](C)C ZINC000132961702 158315367 /nfs/dbraw/zinc/31/53/67/158315367.db2.gz FTHPKDYEGRZUCF-AWEZNQCLSA-N 1 0 310.354 0.679 20 5 DCBDRO CC[C@@](C)([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000133557128 158320527 /nfs/dbraw/zinc/32/05/27/158320527.db2.gz GGGKEAIKWIKQPZ-BXUZGUMPSA-N 1 0 311.338 0.578 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171453616 158383302 /nfs/dbraw/zinc/38/33/02/158383302.db2.gz GVHGVWUHEXSOBT-LBPRGKRZSA-N 1 0 307.354 0.796 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000192118670 158573940 /nfs/dbraw/zinc/57/39/40/158573940.db2.gz FNKJEPNVPQRJFM-DCAQKATOSA-N 1 0 307.354 0.986 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000367365403 159333534 /nfs/dbraw/zinc/33/35/34/159333534.db2.gz NIFXTRJJRDBZAX-UHFFFAOYSA-N 1 0 302.294 0.471 20 5 DCBDRO C[C@H](CS(C)(=O)=O)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000081903086 286930076 /nfs/dbraw/zinc/93/00/76/286930076.db2.gz PXEVAMFODXZJRN-SNVBAGLBSA-N 1 0 302.352 0.996 20 5 DCBDRO COC(=O)CCNC(=O)CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000192637149 287059296 /nfs/dbraw/zinc/05/92/96/287059296.db2.gz UUPBXSFWPDNWOW-UHFFFAOYSA-N 1 0 309.322 0.706 20 5 DCBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000370731664 287224224 /nfs/dbraw/zinc/22/42/24/287224224.db2.gz YXSMKBKBOSVNQY-QWRGUYRKSA-N 1 0 317.342 0.714 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000418389566 287246976 /nfs/dbraw/zinc/24/69/76/287246976.db2.gz UBATVXCLMFYVDU-LLVKDONJSA-N 1 0 306.322 0.861 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000422885726 287301628 /nfs/dbraw/zinc/30/16/28/287301628.db2.gz VANKPLIJDFZEHB-LBPRGKRZSA-N 1 0 320.349 0.583 20 5 DCBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000332195934 415291426 /nfs/dbraw/zinc/29/14/26/415291426.db2.gz YRGQZEQXYMVCBI-ZDUSSCGKSA-N 1 0 323.397 0.976 20 5 DCBDRO NC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342875688 415329051 /nfs/dbraw/zinc/32/90/51/415329051.db2.gz XJFYLAPJPQUHOS-NSHDSACASA-N 1 0 321.337 0.666 20 5 DCBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1COC[C@@H]1O ZINC000352813609 415336151 /nfs/dbraw/zinc/33/61/51/415336151.db2.gz DWLHBKCYXVIMKK-DRZSPHRISA-N 1 0 312.322 0.026 20 5 DCBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343477739 415610847 /nfs/dbraw/zinc/61/08/47/415610847.db2.gz SRLGJWOSOVTBOF-OLZOCXBDSA-N 1 0 322.413 0.791 20 5 DCBDRO C[C@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[N@@H+]1C ZINC000343433700 415599045 /nfs/dbraw/zinc/59/90/45/415599045.db2.gz GSXWOAWNPUGBIT-CMPLNLGQSA-N 1 0 308.338 0.355 20 5 DCBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000288774170 415687274 /nfs/dbraw/zinc/68/72/74/415687274.db2.gz PMZSWRBOHPLTIV-LLVKDONJSA-N 1 0 309.322 0.834 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290822605 415825336 /nfs/dbraw/zinc/82/53/36/415825336.db2.gz STUATXDBNKFUDL-KOLCDFICSA-N 1 0 307.354 0.865 20 5 DCBDRO CN(C)CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000337048024 415898640 /nfs/dbraw/zinc/89/86/40/415898640.db2.gz PZWWKIFAGCJMPF-UHFFFAOYSA-N 1 0 323.397 0.926 20 5 DCBDRO CC[NH+]1CCC(NC(=O)Cn2ccc(C)c([N+](=O)[O-])c2=O)CC1 ZINC000129801118 415912415 /nfs/dbraw/zinc/91/24/15/415912415.db2.gz PNJQXKTXAPZFAC-UHFFFAOYSA-N 1 0 322.365 0.665 20 5 DCBDRO CN(C)C(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000345127095 416049813 /nfs/dbraw/zinc/04/98/13/416049813.db2.gz GPXQIPVQZLDYMH-UHFFFAOYSA-N 1 0 308.338 0.943 20 5 DCBDRO C[C@@H]1[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000345290777 416072548 /nfs/dbraw/zinc/07/25/48/416072548.db2.gz LHIMOAWUOVAZFB-GHMZBOCLSA-N 1 0 308.338 0.355 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000171202730 416037502 /nfs/dbraw/zinc/03/75/02/416037502.db2.gz KQVYIGVMUYELLJ-UHFFFAOYSA-N 1 0 310.354 0.972 20 5 DCBDRO CCN(CCn1cc([N+](=O)[O-])cn1)[C@@H](C)CS(C)(=O)=O ZINC000174859838 416088357 /nfs/dbraw/zinc/08/83/57/416088357.db2.gz KBXDBGZWJWHSFQ-JTQLQIEISA-N 1 0 304.372 0.546 20 5 DCBDRO CC(C)[C@@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000357704072 416119307 /nfs/dbraw/zinc/11/93/07/416119307.db2.gz LPVJGJDMXHPGKQ-NSHDSACASA-N 1 0 307.354 0.865 20 5 DCBDRO COC[C@@H](O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338778040 416137634 /nfs/dbraw/zinc/13/76/34/416137634.db2.gz OOSMEAOLDNPKJN-GWCFXTLKSA-N 1 0 311.338 0.909 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000178959336 416179874 /nfs/dbraw/zinc/17/98/74/416179874.db2.gz PNLOEHCSGPJTLY-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000330487199 416210815 /nfs/dbraw/zinc/21/08/15/416210815.db2.gz FYIRXAGLAATIRD-UHFFFAOYSA-N 1 0 310.354 0.842 20 5 DCBDRO C[NH+](C)CCN(Cc1ccco1)c1ncc([N+](=O)[O-])c(N)n1 ZINC000347184567 416212739 /nfs/dbraw/zinc/21/27/39/416212739.db2.gz DMVFVFIMMRWXJT-UHFFFAOYSA-N 1 0 306.326 1.128 20 5 DCBDRO CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@H](C[NH3+])C1 ZINC000359204471 416314115 /nfs/dbraw/zinc/31/41/15/416314115.db2.gz DOKSCWYCQRZFCT-CMPLNLGQSA-N 1 0 308.338 0.877 20 5 DCBDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415392855 416341921 /nfs/dbraw/zinc/34/19/21/416341921.db2.gz YOCJCLOFXKKBIV-WPRPVWTQSA-N 1 0 309.326 0.646 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415409841 416341982 /nfs/dbraw/zinc/34/19/82/416341982.db2.gz DVHBWTWKKBGJJR-JTQLQIEISA-N 1 0 320.349 0.970 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000415451053 416343785 /nfs/dbraw/zinc/34/37/85/416343785.db2.gz KLYKADFNPNHZJK-LLVKDONJSA-N 1 0 306.322 0.695 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415455110 416344256 /nfs/dbraw/zinc/34/42/56/416344256.db2.gz PGNDQHBOGFCSLA-LLVKDONJSA-N 1 0 306.322 0.695 20 5 DCBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415465914 416344735 /nfs/dbraw/zinc/34/47/35/416344735.db2.gz SVXJQXAPOOWKKD-UFBFGSQYSA-N 1 0 324.312 0.916 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415599536 416348781 /nfs/dbraw/zinc/34/87/81/416348781.db2.gz GDJYFYTYJBRKJO-LLVKDONJSA-N 1 0 322.321 0.028 20 5 DCBDRO O=C([C@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000238006916 416329493 /nfs/dbraw/zinc/32/94/93/416329493.db2.gz MOUQSVYDZSPZKK-LBPRGKRZSA-N 1 0 304.350 0.853 20 5 DCBDRO C[NH+](C)C1(CNC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000416289792 416363338 /nfs/dbraw/zinc/36/33/38/416363338.db2.gz KJVOYGPXHWYRNH-UHFFFAOYSA-N 1 0 320.349 0.535 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000418764390 416389952 /nfs/dbraw/zinc/38/99/52/416389952.db2.gz AFHULEVXEYBTPK-PWSUYJOCSA-N 1 0 320.349 0.640 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419272767 416398312 /nfs/dbraw/zinc/39/83/12/416398312.db2.gz PZGKVLZPFKOLCU-KOLCDFICSA-N 1 0 322.365 0.791 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N2CC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000419760284 416409151 /nfs/dbraw/zinc/40/91/51/416409151.db2.gz NHKZTXFMIVHZNA-NSHDSACASA-N 1 0 306.322 0.079 20 5 DCBDRO CN1CCN(C(=O)NCCc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000583430403 416463017 /nfs/dbraw/zinc/46/30/17/416463017.db2.gz RMUQVLGZAQCKLX-ZDUSSCGKSA-N 1 0 321.381 0.422 20 5 DCBDRO COc1cc(CCNC(=O)C2(C)C[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000422944883 416450451 /nfs/dbraw/zinc/45/04/51/416450451.db2.gz MCHPYYPPJLTKAM-UHFFFAOYSA-N 1 0 323.349 0.880 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000535706573 416523571 /nfs/dbraw/zinc/52/35/71/416523571.db2.gz HCBUEIPPIKOKJP-GFCCVEGCSA-N 1 0 324.381 0.900 20 5 DCBDRO C[NH+](C)CC(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000590538821 416527049 /nfs/dbraw/zinc/52/70/49/416527049.db2.gz BBJBKIXVUXMBGE-UHFFFAOYSA-N 1 0 318.337 0.628 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000423676889 416537792 /nfs/dbraw/zinc/53/77/92/416537792.db2.gz RKHCDDDNAODCCC-NEPJUHHUSA-N 1 0 307.350 0.830 20 5 DCBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)cc2C1 ZINC000423494052 416517436 /nfs/dbraw/zinc/51/74/36/416517436.db2.gz CRBDIHKOYQFZRX-MRVPVSSYSA-N 1 0 302.294 0.781 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000424029521 416606777 /nfs/dbraw/zinc/60/67/77/416606777.db2.gz YECKRXQATZQISE-CYBMUJFWSA-N 1 0 309.322 0.550 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000424091082 416610167 /nfs/dbraw/zinc/61/01/67/416610167.db2.gz DAKLPSBOBKJVTJ-DTWKUNHWSA-N 1 0 324.362 0.288 20 5 DCBDRO Nc1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)nc1[N+](=O)[O-] ZINC000596167576 416577844 /nfs/dbraw/zinc/57/78/44/416577844.db2.gz LPORWCHVNMMGAK-LLVKDONJSA-N 1 0 307.354 1.237 20 5 DCBDRO NS(=O)(=O)c1c(NCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000539187228 416578146 /nfs/dbraw/zinc/57/81/46/416578146.db2.gz DUTLTZSDFWPCDS-UHFFFAOYSA-N 1 0 314.367 0.750 20 5 DCBDRO C[C@H](CC[NH+]1CCN(C)CC1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000596198252 416579577 /nfs/dbraw/zinc/57/95/77/416579577.db2.gz YFQNWXBRWRHDRV-LLVKDONJSA-N 1 0 308.386 1.010 20 5 DCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000364301773 416584380 /nfs/dbraw/zinc/58/43/80/416584380.db2.gz DZSKZOCQADYLIS-GFCCVEGCSA-N 1 0 315.351 0.084 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000441625551 416678175 /nfs/dbraw/zinc/67/81/75/416678175.db2.gz ZGARMOCSYVBKNP-VIFPVBQESA-N 1 0 322.321 0.031 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425062668 416682894 /nfs/dbraw/zinc/68/28/94/416682894.db2.gz DPWBZOCWHSJADX-JOYOIKCWSA-N 1 0 306.322 0.862 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000368191853 416658625 /nfs/dbraw/zinc/65/86/25/416658625.db2.gz COYVDDSMKIVZIY-WOFXILAISA-N 1 0 305.290 0.314 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000514673781 416670425 /nfs/dbraw/zinc/67/04/25/416670425.db2.gz KXNHDXVSLBZHNX-CQSZACIVSA-N 1 0 315.333 0.795 20 5 DCBDRO CC[N@H+](C)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1-n1cnnn1 ZINC000515870282 416711817 /nfs/dbraw/zinc/71/18/17/416711817.db2.gz VGWNNGDOFMRQOQ-LLVKDONJSA-N 1 0 322.325 0.262 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000516396903 416723341 /nfs/dbraw/zinc/72/33/41/416723341.db2.gz RUAJWJCXCJNJAM-UHFFFAOYSA-N 1 0 323.397 0.691 20 5 DCBDRO CNc1nccc(C(=O)NCC(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000557433110 416733561 /nfs/dbraw/zinc/73/35/61/416733561.db2.gz MOBBSKJDTZAOPC-UHFFFAOYSA-N 1 0 309.370 1.349 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccccc2CO)c1 ZINC000516650860 416733639 /nfs/dbraw/zinc/73/36/39/416733639.db2.gz ITPYQMGKFINEPJ-AWEZNQCLSA-N 1 0 306.322 0.434 20 5 DCBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000444801120 416873802 /nfs/dbraw/zinc/87/38/02/416873802.db2.gz VXSXVAIDGZGMCZ-SMDDNHRTSA-N 1 0 312.370 0.984 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)c1 ZINC000518374751 416852220 /nfs/dbraw/zinc/85/22/20/416852220.db2.gz GQUBAFHRGIWNCU-APPZFPTMSA-N 1 0 312.248 0.055 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)N1CCC[NH2+]CC1 ZINC000428444763 416897040 /nfs/dbraw/zinc/89/70/40/416897040.db2.gz DAWQROLDYPZBDN-UHFFFAOYSA-N 1 0 321.333 0.730 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC(C)(C)[NH3+] ZINC000429658578 287339916 /nfs/dbraw/zinc/33/99/16/287339916.db2.gz OXWFUACZODCFML-VIFPVBQESA-N 1 0 312.374 0.681 20 5 DCBDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCCn1cc([N+](=O)[O-])cn1 ZINC000521432998 417009694 /nfs/dbraw/zinc/00/96/94/417009694.db2.gz RFEFKQQJZUPCAK-YOGCLGLASA-N 1 0 307.354 0.828 20 5 DCBDRO CN(C(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000447904261 417038330 /nfs/dbraw/zinc/03/83/30/417038330.db2.gz PKBUCXAZTSAVNH-KBPBESRZSA-N 1 0 323.349 0.687 20 5 DCBDRO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000522000336 417040861 /nfs/dbraw/zinc/04/08/61/417040861.db2.gz ORJRQVRCXNEVTH-GXFFZTMASA-N 1 0 323.353 0.676 20 5 DCBDRO O=C(COC1C[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000430684859 417060662 /nfs/dbraw/zinc/06/06/62/417060662.db2.gz FQSXCGSSZFFINJ-UHFFFAOYSA-N 1 0 320.349 0.232 20 5 DCBDRO Cc1cc(F)c(NC(=O)C(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000295881755 225343835 /nfs/dbraw/zinc/34/38/35/225343835.db2.gz AUUPUFOYFCTVOQ-UHFFFAOYSA-N 1 0 312.301 0.659 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000449597751 417156445 /nfs/dbraw/zinc/15/64/45/417156445.db2.gz GJAZGIAFARZAJF-SECBINFHSA-N 1 0 322.321 0.174 20 5 DCBDRO Cc1c(C(=O)N[C@H](C)[C@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000449597629 417156457 /nfs/dbraw/zinc/15/64/57/417156457.db2.gz ZMFNWPOZWVXHOE-DTWKUNHWSA-N 1 0 318.337 0.949 20 5 DCBDRO COCCOC[C@@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000450490245 417231528 /nfs/dbraw/zinc/23/15/28/417231528.db2.gz ZBAUWPZHQJLZSN-HNNXBMFYSA-N 1 0 310.350 0.977 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000415305788 417363633 /nfs/dbraw/zinc/36/36/33/417363633.db2.gz VMJSBNBJXZQWLD-VIFPVBQESA-N 1 0 322.321 0.362 20 5 DCBDRO CO[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000451754527 417392724 /nfs/dbraw/zinc/39/27/24/417392724.db2.gz CEFNWXGKGXMCNQ-ZKYQVNSYSA-N 1 0 312.322 0.026 20 5 DCBDRO O=C(NC[C@H]1CCC[N@H+]1CCCO)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000452376221 417475728 /nfs/dbraw/zinc/47/57/28/417475728.db2.gz YVVQJSZYALGQAR-LLVKDONJSA-N 1 0 324.337 0.272 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452374575 417476722 /nfs/dbraw/zinc/47/67/22/417476722.db2.gz WZWVDBDVQUDZLL-SNVBAGLBSA-N 1 0 323.353 0.149 20 5 DCBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000576943323 417649256 /nfs/dbraw/zinc/64/92/56/417649256.db2.gz BZOGWYMPACPQAH-LLVKDONJSA-N 1 0 310.354 0.588 20 5 DCBDRO CC[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000531989454 417650637 /nfs/dbraw/zinc/65/06/37/417650637.db2.gz UVXWNLCRIBBTAP-CYBMUJFWSA-N 1 0 321.381 0.979 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000322370560 261178272 /nfs/dbraw/zinc/17/82/72/261178272.db2.gz ZHDYZWCFBXLXHT-UHFFFAOYSA-N 1 0 323.349 0.790 20 5 DCBDRO CC(C)[N@H+](C)C[C@H](O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000324089945 261178958 /nfs/dbraw/zinc/17/89/58/261178958.db2.gz HBWAYTXIBXNMMX-NSHDSACASA-N 1 0 321.333 0.892 20 5 DCBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C ZINC000354421211 261217524 /nfs/dbraw/zinc/21/75/24/261217524.db2.gz FFZXSRDNIZCHBE-WDEREUQCSA-N 1 0 310.358 0.518 20 5 DCBDRO CN(C)C(=O)CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cn2)CC1 ZINC000354584098 261240574 /nfs/dbraw/zinc/24/05/74/261240574.db2.gz WQJLZSUKIGUQDE-UHFFFAOYSA-N 1 0 322.369 0.739 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363212718 262106752 /nfs/dbraw/zinc/10/67/52/262106752.db2.gz XOPGENRPQCIMBY-GFCCVEGCSA-N 1 0 307.354 0.878 20 5 DCBDRO CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000370836932 262152599 /nfs/dbraw/zinc/15/25/99/262152599.db2.gz DLEODPWIJVAZER-BFHYXJOUSA-N 1 0 310.398 0.279 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417767850 262261325 /nfs/dbraw/zinc/26/13/25/262261325.db2.gz RCTIYCQARLXNPS-BETUJISGSA-N 1 0 304.350 0.998 20 5 DCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418770980 262288073 /nfs/dbraw/zinc/28/80/73/262288073.db2.gz QYIRPSPBCUDQIT-AWEZNQCLSA-N 1 0 322.365 0.767 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418788045 262290147 /nfs/dbraw/zinc/29/01/47/262290147.db2.gz VAHLENRSGNNGGC-PWSUYJOCSA-N 1 0 320.349 0.640 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419157767 262314785 /nfs/dbraw/zinc/31/47/85/262314785.db2.gz WPYSFYDKZCWLMG-WDEREUQCSA-N 1 0 320.349 0.592 20 5 DCBDRO COC(=O)c1cnc(NC[C@@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420263207 262368215 /nfs/dbraw/zinc/36/82/15/262368215.db2.gz BOZSABMGEFNUBI-JTQLQIEISA-N 1 0 309.326 0.092 20 5 DCBDRO C[NH2+][C@@H]1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C1 ZINC000420406816 262374163 /nfs/dbraw/zinc/37/41/63/262374163.db2.gz SFSNUKDVQFEVMF-GFCCVEGCSA-N 1 0 313.379 0.761 20 5 DCBDRO CN(CC[NH3+])C(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000423097589 262429079 /nfs/dbraw/zinc/42/90/79/262429079.db2.gz JLXQGQDOGZNYQY-UHFFFAOYSA-N 1 0 320.349 0.503 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000423492911 262447412 /nfs/dbraw/zinc/44/74/12/262447412.db2.gz AGUWGSUJXTTZER-SNVBAGLBSA-N 1 0 308.338 0.487 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000419269057 271280734 /nfs/dbraw/zinc/28/07/34/271280734.db2.gz LMHAASXOOXZFOG-CMPLNLGQSA-N 1 0 320.349 0.640 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449587331 271854026 /nfs/dbraw/zinc/85/40/26/271854026.db2.gz IYSRWSMIFFAQRY-RKDXNWHRSA-N 1 0 304.310 0.641 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000449692506 271858653 /nfs/dbraw/zinc/85/86/53/271858653.db2.gz ARIAQZKJFJHJDZ-CQSZACIVSA-N 1 0 306.366 0.547 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000516970917 287668963 /nfs/dbraw/zinc/66/89/63/287668963.db2.gz JITSZPRBKREDMG-OCCSQVGLSA-N 1 0 323.353 0.146 20 5 DCBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000373392440 275637307 /nfs/dbraw/zinc/63/73/07/275637307.db2.gz LYKARURZVKDEAL-ZDUSSCGKSA-N 1 0 320.397 0.990 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(N2CCN(C(=O)C[NH+](C)C)CC2)n1 ZINC000178166422 281011588 /nfs/dbraw/zinc/01/15/88/281011588.db2.gz FAQYGOGQZSYKDT-UHFFFAOYSA-N 1 0 307.354 0.508 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000557147244 288411172 /nfs/dbraw/zinc/41/11/72/288411172.db2.gz HRTNSUNFRVWNSD-ZDUSSCGKSA-N 1 0 324.337 0.261 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000563090380 288627781 /nfs/dbraw/zinc/62/77/81/288627781.db2.gz OUELDYOKGPZUCB-SECBINFHSA-N 1 0 319.325 0.021 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000584005449 331560928 /nfs/dbraw/zinc/56/09/28/331560928.db2.gz UGMDKURCJYTHJC-IUCAKERBSA-N 1 0 311.729 0.391 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000389944868 336927733 /nfs/dbraw/zinc/92/77/33/336927733.db2.gz YQHAEHGJHSRZKQ-SNVBAGLBSA-N 1 0 315.351 0.252 20 5 DCBDRO [NH3+]CCCCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000582844508 337208473 /nfs/dbraw/zinc/20/84/73/337208473.db2.gz TZIQBLGBHSFGGN-UHFFFAOYSA-N 1 0 322.365 0.900 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000584397456 337318010 /nfs/dbraw/zinc/31/80/10/337318010.db2.gz BOAASVTXDPLUJH-UHFFFAOYSA-N 1 0 311.317 0.339 20 5 DCBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000036299317 337352711 /nfs/dbraw/zinc/35/27/11/337352711.db2.gz VEMVOORSWCOWCR-UHFFFAOYSA-N 1 0 317.367 0.881 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000414662253 534343685 /nfs/dbraw/zinc/34/36/85/534343685.db2.gz QUAAPKNXVCNMFD-LBPRGKRZSA-N 1 0 307.354 0.928 20 5 DCBDRO C[NH2+]CCN(C)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000237357442 522004105 /nfs/dbraw/zinc/00/41/05/522004105.db2.gz YGGLBCZQPKWZIC-UHFFFAOYSA-N 1 0 304.310 0.467 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)c1ccccc1 ZINC000266525267 523101803 /nfs/dbraw/zinc/10/18/03/523101803.db2.gz JVRVUVCOVYRQGU-LSDHHAIUSA-N 1 0 320.349 0.818 20 5 DCBDRO C[NH+](C)CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157108069 524057424 /nfs/dbraw/zinc/05/74/24/524057424.db2.gz FYYRDMAAKYGPQJ-UHFFFAOYSA-N 1 0 305.331 0.964 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@H]1CCC[NH2+]1 ZINC000157644465 527322120 /nfs/dbraw/zinc/32/21/20/527322120.db2.gz HRISZAFFQDKSAD-MRVPVSSYSA-N 1 0 303.315 0.764 20 5 DCBDRO C[NH+](C)CCNC(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278142848 535885345 /nfs/dbraw/zinc/88/53/45/535885345.db2.gz AGLWWLPQCDRLSG-UHFFFAOYSA-N 1 0 306.326 0.832 20 5 DCBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@H]1O ZINC000285746670 536418426 /nfs/dbraw/zinc/41/84/26/536418426.db2.gz YKADUNYRCRJETJ-MRVWCRGKSA-N 1 0 312.322 0.026 20 5 DCBDRO C[NH+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736757950 598828827 /nfs/dbraw/zinc/82/88/27/598828827.db2.gz AOAGBIPDJRUVAG-SECBINFHSA-N 1 0 318.341 0.558 20 5 DCBDRO C[N@H+]1CC=C(CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000826022611 608587181 /nfs/dbraw/zinc/58/71/81/608587181.db2.gz PDVAIGFTZOIIPR-UHFFFAOYSA-N 1 0 316.325 0.844 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000158667680 658546888 /nfs/dbraw/zinc/54/68/88/658546888.db2.gz MWIPTGBWSJFMAL-CHWSQXEVSA-N 1 0 314.363 0.795 20 5 DCBDRO Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001022063759 658818136 /nfs/dbraw/zinc/81/81/36/658818136.db2.gz LQEWCUZHJKQIKV-LMLFDSFASA-N 1 0 310.379 0.854 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC000312406408 659288354 /nfs/dbraw/zinc/28/83/54/659288354.db2.gz QWSDTYBVVVAWJC-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1 ZINC001025645189 659514906 /nfs/dbraw/zinc/51/49/06/659514906.db2.gz GYIROVCPKQXVSI-PJXYFTJBSA-N 1 0 319.365 0.675 20 5 DCBDRO C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000893027492 659684896 /nfs/dbraw/zinc/68/48/96/659684896.db2.gz VLHAWRNZVKYZON-VXGBXAGGSA-N 1 0 324.385 0.908 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)NCC[N@H+](C)CCO)c1F ZINC000924996760 661849582 /nfs/dbraw/zinc/84/95/82/661849582.db2.gz BNZFZIXDFBLBMM-UHFFFAOYSA-N 1 0 317.292 0.835 20 5 DCBDRO Cc1oncc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983655636 662000881 /nfs/dbraw/zinc/00/08/81/662000881.db2.gz UIBPNDPMVRNABD-OJAKKHQRSA-N 1 0 308.338 0.633 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC000895009926 662042881 /nfs/dbraw/zinc/04/28/81/662042881.db2.gz HVPQYDAXAFMMCW-HNNXBMFYSA-N 1 0 323.349 0.884 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)c1 ZINC000896855475 662330680 /nfs/dbraw/zinc/33/06/80/662330680.db2.gz MJRSSSUOJLMDBD-JXOSRZLSSA-N 1 0 308.338 0.888 20 5 DCBDRO O=C(NCC1=CC[N@H+](CCOC2CCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001000673727 665914146 /nfs/dbraw/zinc/91/41/46/665914146.db2.gz JRGNKWWTJOREIF-HUUCEWRRSA-N 1 0 323.393 0.969 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898836030 663109730 /nfs/dbraw/zinc/10/97/30/663109730.db2.gz QFSSYXDJAZTFSV-GHMZBOCLSA-N 1 0 307.354 0.931 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901135476 663324185 /nfs/dbraw/zinc/32/41/85/663324185.db2.gz NTXUBCCFWMEJOQ-AAEUAGOBSA-N 1 0 307.354 0.924 20 5 DCBDRO CC[N@@H+]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000910280163 663863989 /nfs/dbraw/zinc/86/39/89/663863989.db2.gz JCCVJSNJAOFOQW-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO CC[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000910289192 663865593 /nfs/dbraw/zinc/86/55/93/663865593.db2.gz QJFRFBCZLDBRDT-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911723976 664102925 /nfs/dbraw/zinc/10/29/25/664102925.db2.gz JGEUFKSKVWHDBR-IINYFYTJSA-N 1 0 318.333 0.908 20 5 DCBDRO Cc1sc(C(=O)N(C)CC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC000912609990 664195025 /nfs/dbraw/zinc/19/50/25/664195025.db2.gz WRCPZPVJBJUSOM-UHFFFAOYSA-N 1 0 301.368 0.961 20 5 DCBDRO CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000913554623 664501248 /nfs/dbraw/zinc/50/12/48/664501248.db2.gz IXXOHVJAPUFFSN-LBPRGKRZSA-N 1 0 309.322 0.109 20 5 DCBDRO Cc1nn(CCC(=O)NC23CC[NH+](CC2)C3)c(C)c1[N+](=O)[O-] ZINC000913628235 664708171 /nfs/dbraw/zinc/70/81/71/664708171.db2.gz CLWBWXCEIURAEA-UHFFFAOYSA-N 1 0 307.354 0.763 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNC(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000917789884 665144428 /nfs/dbraw/zinc/14/44/28/665144428.db2.gz XXSRGKDOOLYQGE-LBPRGKRZSA-N 1 0 308.338 0.977 20 5 DCBDRO Cc1nc(CC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cs1 ZINC001031662899 665274337 /nfs/dbraw/zinc/27/43/37/665274337.db2.gz OMECQRQQOOVKHX-CHWSQXEVSA-N 1 0 324.406 0.707 20 5 DCBDRO Cn1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001001396796 666041405 /nfs/dbraw/zinc/04/14/05/666041405.db2.gz RXOBZDUUQRVNNK-ZIAGYGMSSA-N 1 0 321.381 0.414 20 5 DCBDRO Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429247 666790956 /nfs/dbraw/zinc/79/09/56/666790956.db2.gz NRHGTTVJNQOFSU-CHWSQXEVSA-N 1 0 307.354 0.166 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC2SCCS2)c1 ZINC000703075414 667045778 /nfs/dbraw/zinc/04/57/78/667045778.db2.gz MZYAHWWVSNBJGN-VIFPVBQESA-N 1 0 304.397 0.548 20 5 DCBDRO Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034643909 667089786 /nfs/dbraw/zinc/08/97/86/667089786.db2.gz UMUQVTMIKZUFQH-HBJVGIJOSA-N 1 0 321.381 0.602 20 5 DCBDRO COC(=O)C1=CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000863571859 667159188 /nfs/dbraw/zinc/15/91/88/667159188.db2.gz FZOHGJIIOXRPBM-ZYHUDNBSSA-N 1 0 310.310 0.004 20 5 DCBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCNCC[NH2+]CC1 ZINC000923466222 667537611 /nfs/dbraw/zinc/53/76/11/667537611.db2.gz KGQIPCVUGZDTTP-LBPRGKRZSA-N 1 0 321.381 0.417 20 5 DCBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCCO2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884457485 667548767 /nfs/dbraw/zinc/54/87/67/667548767.db2.gz DHHGTELBEDMPPY-UWVGGRQHSA-N 1 0 319.317 0.942 20 5 DCBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cn2ccnn2)cc1Cl ZINC000839178065 667734836 /nfs/dbraw/zinc/73/48/36/667734836.db2.gz BIMMXUUKSCINLK-JTQLQIEISA-N 1 0 311.729 0.990 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874846272 668226727 /nfs/dbraw/zinc/22/67/27/668226727.db2.gz XQYWVTIWQYWREM-MNOVXSKESA-N 1 0 307.354 0.945 20 5 DCBDRO CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000926140557 668377235 /nfs/dbraw/zinc/37/72/35/668377235.db2.gz CPZXFKYOGGUZPD-SAAVVOQKSA-N 1 0 311.382 0.248 20 5 DCBDRO C[C@@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000768525655 668613703 /nfs/dbraw/zinc/61/37/03/668613703.db2.gz WXZSZJKDYCLIBR-LBPRGKRZSA-N 1 0 324.385 0.965 20 5 DCBDRO COC(=O)C[C@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCOC1 ZINC000770710589 668708315 /nfs/dbraw/zinc/70/83/15/668708315.db2.gz RZHYHNUIJPYJMT-CYBMUJFWSA-N 1 0 312.326 0.493 20 5 DCBDRO O=C(C[NH2+][C@H](CO)C1CC1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000771810322 668752930 /nfs/dbraw/zinc/75/29/30/668752930.db2.gz YCDZIUKZFKVCEF-CYBMUJFWSA-N 1 0 305.334 0.844 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000878663622 668754337 /nfs/dbraw/zinc/75/43/37/668754337.db2.gz MTKKRMVYBIAPEM-NSHDSACASA-N 1 0 311.342 0.872 20 5 DCBDRO CN(C)C(=O)NCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777715874 668890596 /nfs/dbraw/zinc/89/05/96/668890596.db2.gz IZMJSLQTVPJJGU-CYBMUJFWSA-N 1 0 310.354 0.831 20 5 DCBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930353368 669000449 /nfs/dbraw/zinc/00/04/49/669000449.db2.gz JGICEFKNMRRUTE-JKSUJKDBSA-N 1 0 324.377 0.972 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)CC[C@@H]21 ZINC000879577162 669067627 /nfs/dbraw/zinc/06/76/27/669067627.db2.gz HCDMRODRQNVWNZ-OCCSQVGLSA-N 1 0 306.366 0.783 20 5 DCBDRO O=C1C[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000789355993 669488806 /nfs/dbraw/zinc/48/88/06/669488806.db2.gz WZFXQWFKXIGQBP-HIFRSBDPSA-N 1 0 305.334 0.840 20 5 DCBDRO CC1([NH+]2CCC2)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000882500960 669535546 /nfs/dbraw/zinc/53/55/46/669535546.db2.gz GEAAWPLVBABACR-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000934588856 669617311 /nfs/dbraw/zinc/61/73/11/669617311.db2.gz MRNIRGFRWQCQJU-LBPRGKRZSA-N 1 0 323.353 0.033 20 5 DCBDRO COc1c[nH+]ccc1N1CCN(Cn2nccc2[N+](=O)[O-])CC1 ZINC000794701529 669859984 /nfs/dbraw/zinc/85/99/84/669859984.db2.gz RBNPOZCZBDECAD-UHFFFAOYSA-N 1 0 318.337 0.975 20 5 DCBDRO Nc1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc(CO)c1[N+](=O)[O-] ZINC000804397299 670293028 /nfs/dbraw/zinc/29/30/28/670293028.db2.gz WTMZNFWPVVNSIN-STQMWFEESA-N 1 0 322.365 0.944 20 5 DCBDRO Nc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000808079555 670388142 /nfs/dbraw/zinc/38/81/42/670388142.db2.gz KHDXWOKQZGDMGP-LBPRGKRZSA-N 1 0 322.365 0.754 20 5 DCBDRO Nc1c(C(=O)N[C@H](CO)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000808224917 670400160 /nfs/dbraw/zinc/40/01/60/670400160.db2.gz XBXZQSBGLUPWCP-JTQLQIEISA-N 1 0 308.338 0.364 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])N[C@H](CO)C[NH+]1CCCC1 ZINC000808221417 670400520 /nfs/dbraw/zinc/40/05/20/670400520.db2.gz QCZFWNIXKRNWIK-LBPRGKRZSA-N 1 0 322.365 0.580 20 5 DCBDRO O=[N+]([O-])c1ccnn1CN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112199766 670556682 /nfs/dbraw/zinc/55/66/82/670556682.db2.gz GPBFMNCGKWUGDD-ZDUSSCGKSA-N 1 0 309.370 0.793 20 5 DCBDRO CN(CC1C[NH+](C)C1)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000855638756 670737771 /nfs/dbraw/zinc/73/77/71/670737771.db2.gz SVFADAXUSNWRAX-UHFFFAOYSA-N 1 0 321.333 0.806 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)CC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000850589527 670921071 /nfs/dbraw/zinc/92/10/71/670921071.db2.gz VRVVDZSAWAQNAR-UHFFFAOYSA-N 1 0 317.367 0.961 20 5 DCBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000818475231 671019135 /nfs/dbraw/zinc/01/91/35/671019135.db2.gz BKTAQIUBWSMSOD-YOGCLGLASA-N 1 0 320.349 0.627 20 5 DCBDRO CCNS(=O)(=O)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819043262 671088160 /nfs/dbraw/zinc/08/81/60/671088160.db2.gz RAPDVRCXEFAZSQ-GFCCVEGCSA-N 1 0 317.367 0.157 20 5 DCBDRO O=C(NCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccn[nH]1 ZINC000819215905 671102424 /nfs/dbraw/zinc/10/24/24/671102424.db2.gz ALHDGPQVLMLZPZ-ZDUSSCGKSA-N 1 0 319.321 0.371 20 5 DCBDRO O=C1OCCN1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000852721124 671152930 /nfs/dbraw/zinc/15/29/30/671152930.db2.gz FNJHUSMBPMRQDO-UHFFFAOYSA-N 1 0 309.326 0.708 20 5 DCBDRO [NH3+]CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)CO ZINC000852754109 671156948 /nfs/dbraw/zinc/15/69/48/671156948.db2.gz PYPRTAKTRJAVJO-NSHDSACASA-N 1 0 303.746 0.362 20 5 DCBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000852867516 671179574 /nfs/dbraw/zinc/17/95/74/671179574.db2.gz WXMWDGAPLCZUPM-UHFFFAOYSA-N 1 0 306.278 0.985 20 5 DCBDRO CC(C)(CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[N+](=O)[O-] ZINC000823152261 671372505 /nfs/dbraw/zinc/37/25/05/671372505.db2.gz OUYONSOEUSNECI-STQMWFEESA-N 1 0 313.398 0.880 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCc1nc(N2CC[NH2+]CC2)no1 ZINC000823304156 671384939 /nfs/dbraw/zinc/38/49/39/671384939.db2.gz KMBCDRXKDFQXHT-UHFFFAOYSA-N 1 0 307.314 0.135 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828610490 671556856 /nfs/dbraw/zinc/55/68/56/671556856.db2.gz GYALUHOFBSLWQX-CYBMUJFWSA-N 1 0 311.338 0.323 20 5 DCBDRO [NH3+]C1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000832200433 671709733 /nfs/dbraw/zinc/70/97/33/671709733.db2.gz PBCXDRVNORIAPA-UHFFFAOYSA-N 1 0 303.322 0.894 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000834565751 671771444 /nfs/dbraw/zinc/77/14/44/671771444.db2.gz XQMVFXYPBYPFCW-CQSZACIVSA-N 1 0 301.387 0.737 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000834565749 671771441 /nfs/dbraw/zinc/77/14/41/671771441.db2.gz XQMVFXYPBYPFCW-AWEZNQCLSA-N 1 0 301.387 0.737 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000834694922 671776918 /nfs/dbraw/zinc/77/69/18/671776918.db2.gz NQHFPBUOJFBIKI-TXEJJXNPSA-N 1 0 315.333 0.622 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000841241279 671922845 /nfs/dbraw/zinc/92/28/45/671922845.db2.gz JBRUUKQETWVPHX-WPRPVWTQSA-N 1 0 324.312 0.929 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)C1CC([NH3+])C1 ZINC000841259876 671923555 /nfs/dbraw/zinc/92/35/55/671923555.db2.gz YQCJFOQBXCRJAT-UHFFFAOYSA-N 1 0 324.312 0.929 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2cccc(F)c2)c1 ZINC000843068561 672058717 /nfs/dbraw/zinc/05/87/17/672058717.db2.gz HBOXSYFWRCGPQY-ZIAGYGMSSA-N 1 0 324.312 0.615 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCn2cc(CO)nn2)cc1 ZINC000843094013 672060705 /nfs/dbraw/zinc/06/07/05/672060705.db2.gz ISPSSQUXEVDVLK-AWEZNQCLSA-N 1 0 321.337 0.392 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cn[nH]n1 ZINC001020341401 693774429 /nfs/dbraw/zinc/77/44/29/693774429.db2.gz RNQQMBKEOYQVGU-XYPYZODXSA-N 1 0 316.321 0.764 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C2CCC2)C1 ZINC001019918421 693621379 /nfs/dbraw/zinc/62/13/79/693621379.db2.gz VUICEOONFVKRAE-XYPYZODXSA-N 1 0 307.354 0.865 20 5 DCBDRO C[N@H+](CCCNC(=O)CC(N)=O)Cc1ccccc1[N+](=O)[O-] ZINC001751954123 1157736127 /nfs/dbraw/zinc/73/61/27/1157736127.db2.gz ZYBDDRJBFHWHIF-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO CC(=O)NCC(=O)N(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001569177919 1160965369 /nfs/dbraw/zinc/96/53/69/1160965369.db2.gz YSDCLOPZCJQUAL-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO CC(=O)NCC(=O)N(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001569177384 1160965821 /nfs/dbraw/zinc/96/58/21/1160965821.db2.gz LIZOODYNKRZEEP-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO C[C@](CO)(NC(=O)[C@@H]1[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001576039058 1164219565 /nfs/dbraw/zinc/21/95/65/1164219565.db2.gz XXKHLIAJKBEQFN-SWLSCSKDSA-N 1 0 307.350 0.917 20 5 DCBDRO C[C@]1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[NH2+]CCO1 ZINC001576510355 1164371108 /nfs/dbraw/zinc/37/11/08/1164371108.db2.gz VNFWSZXRUVDGIH-CQSZACIVSA-N 1 0 311.313 0.771 20 5 DCBDRO Cc1cc(F)cc(C(=O)N2CCN(C3C[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001579612439 1165359949 /nfs/dbraw/zinc/35/99/49/1165359949.db2.gz HKGSTSLBOYRLBJ-UHFFFAOYSA-N 1 0 322.340 0.772 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001579868845 1165416068 /nfs/dbraw/zinc/41/60/68/1165416068.db2.gz KWCNGTYBCRGGJB-SNVBAGLBSA-N 1 0 309.370 0.994 20 5 DCBDRO O=C(NCc1cc([N+](=O)[O-])ccc1Cl)NCC1(O)C[NH2+]C1 ZINC001580712111 1165696361 /nfs/dbraw/zinc/69/63/61/1165696361.db2.gz VWJWUBGZWHFTIL-UHFFFAOYSA-N 1 0 314.729 0.382 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CC[C@]2(C1)C[NH2+]CCO2 ZINC001580822426 1165726862 /nfs/dbraw/zinc/72/68/62/1165726862.db2.gz TVPRLFVCHKDIER-CQSZACIVSA-N 1 0 309.297 0.938 20 5 DCBDRO CC(C)[N@H+](C)CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589678629 1166673861 /nfs/dbraw/zinc/67/38/61/1166673861.db2.gz JTPZQCPERUROPA-UHFFFAOYSA-N 1 0 306.330 0.922 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591168618 1167124588 /nfs/dbraw/zinc/12/45/88/1167124588.db2.gz RQCMFVDSGGCSGT-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001591370047 1167240932 /nfs/dbraw/zinc/24/09/32/1167240932.db2.gz ISNYRQBXRUHUTJ-LBPRGKRZSA-N 1 0 307.314 0.551 20 5 DCBDRO Cn1c(=O)c([N+](=O)[O-])c(N[C@@H](CO)C[NH+](C)C)c2ccccc21 ZINC001612445606 1171361498 /nfs/dbraw/zinc/36/14/98/1171361498.db2.gz BZLWUAZPDUNKAU-SNVBAGLBSA-N 1 0 320.349 0.781 20 5 DCBDRO O=C(NCC[NH+]1CCC1)c1cc([N+](=O)[O-])ccc1-n1cnnn1 ZINC001623572374 1171441218 /nfs/dbraw/zinc/44/12/18/1171441218.db2.gz WXQJZXGTGIPNGR-UHFFFAOYSA-N 1 0 317.309 0.006 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001629833620 1171559415 /nfs/dbraw/zinc/55/94/15/1171559415.db2.gz FVMDJCNVJQQXGF-DZGCQCFKSA-N 1 0 322.365 0.578 20 5 DCBDRO CCO[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001637702763 1171775310 /nfs/dbraw/zinc/77/53/10/1171775310.db2.gz KJKKYULEOAZRGU-NSHDSACASA-N 1 0 310.354 0.874 20 5 DCBDRO CCO[C@@H](CNC(=O)c1cnc(N)c([N+](=O)[O-])c1)C[NH+](C)C ZINC001637703140 1171775446 /nfs/dbraw/zinc/77/54/46/1171775446.db2.gz RTSZBNZOZPJHFU-JTQLQIEISA-N 1 0 311.342 0.269 20 5 DCBDRO C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1C[N@H+](C)CCN1C ZINC001641305699 1171911677 /nfs/dbraw/zinc/91/16/77/1171911677.db2.gz CXTWCVUQILZNFD-SKDRFNHKSA-N 1 0 323.353 0.060 20 5 DCBDRO CNC(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001643425458 1171976965 /nfs/dbraw/zinc/97/69/65/1171976965.db2.gz KQHGJEWIHDDUSW-UHFFFAOYSA-N 1 0 323.353 0.150 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC001648418157 1173075374 /nfs/dbraw/zinc/07/53/74/1173075374.db2.gz HYCSPQRWFDAYQB-VHRBIJSZSA-N 1 0 308.338 0.453 20 5 DCBDRO CC[C@H](C)[NH+]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001654461524 1173805396 /nfs/dbraw/zinc/80/53/96/1173805396.db2.gz NXTXVBWWVVGGBE-GXTWGEPZSA-N 1 0 311.386 0.568 20 5 DCBDRO CCn1nncc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001656914588 1173893567 /nfs/dbraw/zinc/89/35/67/1173893567.db2.gz NFNBALYQKFZJAP-ZIAGYGMSSA-N 1 0 321.337 0.390 20 5 DCBDRO COc1ccc(C[N@@H+]2C[C@@H]3C(=O)NC(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC001658724177 1173924202 /nfs/dbraw/zinc/92/42/02/1173924202.db2.gz WTDJAGLERZWNRI-AOOOYVTPSA-N 1 0 305.290 0.308 20 5 DCBDRO NC(=O)CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001662028933 1174178373 /nfs/dbraw/zinc/17/83/73/1174178373.db2.gz ZHLAXWSKEPWRJT-JYAVWHMHSA-N 1 0 318.333 0.017 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC001663378488 1174293272 /nfs/dbraw/zinc/29/32/72/1174293272.db2.gz OOSOGQBNTIKLCO-LLVKDONJSA-N 1 0 316.379 0.707 20 5 DCBDRO Cc1nocc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001673163962 1175176827 /nfs/dbraw/zinc/17/68/27/1175176827.db2.gz HDTBBSNUOUFYMQ-VXGBXAGGSA-N 1 0 308.338 0.777 20 5 DCBDRO O=C(NC/C=C/C[NH2+]Cc1ccc(CO)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699254822 1177990943 /nfs/dbraw/zinc/99/09/43/1177990943.db2.gz CKJCFDWRIFDPCL-RIVGAVQESA-N 1 0 319.361 0.606 20 5 DCBDRO O=C(NCCN1CCC([NH2+]CC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699992548 1178410765 /nfs/dbraw/zinc/41/07/65/1178410765.db2.gz BSLORGXNVMKCFF-ZIAGYGMSSA-N 1 0 310.398 0.232 20 5 DCBDRO O=C(NCCCN1CC[NH+](CCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001713068041 1180661104 /nfs/dbraw/zinc/66/11/04/1180661104.db2.gz HBPCLVYDPSEUJI-HUUCEWRRSA-N 1 0 324.425 0.576 20 5 DCBDRO COc1ccnc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001754118799 1188748662 /nfs/dbraw/zinc/74/86/62/1188748662.db2.gz DSTDSGHPWHRUST-GWSUEFFPSA-N 1 0 320.349 0.517 20 5 DCBDRO O=[N+]([O-])c1ccc2nc(N3CCN4CC[NH2+]C[C@H]4C3)cnc2c1 ZINC001164390257 718830975 /nfs/dbraw/zinc/83/09/75/718830975.db2.gz CXLQOTQDMYNGGS-LBPRGKRZSA-N 1 0 314.349 0.632 20 5 DCBDRO O=[N+]([O-])c1ccc2ncnc(N3CCN4CC[NH2+]C[C@@H]4C3)c2c1 ZINC001164398765 718833212 /nfs/dbraw/zinc/83/32/12/718833212.db2.gz LCFHMKTWZXJASG-GFCCVEGCSA-N 1 0 314.349 0.632 20 5 DCBDRO CC(C)Oc1nc(N2CCN3CC[NH2+]C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164404994 718841002 /nfs/dbraw/zinc/84/10/02/718841002.db2.gz OBACTSFQIIZKPX-LBPRGKRZSA-N 1 0 321.381 0.871 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC001164666312 719375127 /nfs/dbraw/zinc/37/51/27/719375127.db2.gz DVMQZBJBFQRHQA-VXGBXAGGSA-N 1 0 322.321 0.296 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3OCC[C@H]3C2)nc1C1C[NH2+]C1 ZINC001167219243 747023503 /nfs/dbraw/zinc/02/35/03/747023503.db2.gz BXLMMWWHHXUCFD-CABZTGNLSA-N 1 0 305.338 0.687 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2c(C)ncc(C[NH3+])c2=N)c1 ZINC001167676903 747532606 /nfs/dbraw/zinc/53/26/06/747532606.db2.gz CHRALFOGIADOHS-UHFFFAOYSA-N 1 0 317.305 0.814 20 5 DCBDRO Cn1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nn1 ZINC001126650797 749525443 /nfs/dbraw/zinc/52/54/43/749525443.db2.gz VNIXKJHRIFIVBN-UHFFFAOYSA-N 1 0 304.310 0.243 20 5 DCBDRO CNC(=O)NCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126688693 749606291 /nfs/dbraw/zinc/60/62/91/749606291.db2.gz KWDFYFNBSHIGAV-UHFFFAOYSA-N 1 0 323.353 0.120 20 5 DCBDRO O=C(NCC[NH2+]Cc1cnc(Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126932267 750143475 /nfs/dbraw/zinc/14/34/75/750143475.db2.gz OYVGAOOLYYLQQB-HTQZYQBOSA-N 1 0 304.759 0.668 20 5 DCBDRO COc1ccccc1CCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936646 750149418 /nfs/dbraw/zinc/14/94/18/750149418.db2.gz OHADJPNJHGBLSJ-ZIAGYGMSSA-N 1 0 321.377 0.999 20 5 DCBDRO O=C(NCC[NH2+]CCc1ccc(F)c(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936839 750149750 /nfs/dbraw/zinc/14/97/50/750149750.db2.gz UCHGCDWANWZAPB-ZWNOBZJWSA-N 1 0 313.304 0.878 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc2c(c1)OCCO2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936452 750149798 /nfs/dbraw/zinc/14/97/98/750149798.db2.gz IPPKUQMPRSAPSE-VXGBXAGGSA-N 1 0 321.333 0.329 20 5 DCBDRO CCC1(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[NH2+]C1 ZINC001168584166 752657089 /nfs/dbraw/zinc/65/70/89/752657089.db2.gz YGZDKUNXJIEGFR-UHFFFAOYSA-N 1 0 308.342 0.385 20 5 DCBDRO O=C(Cn1nccn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001128269668 753499093 /nfs/dbraw/zinc/49/90/93/753499093.db2.gz PAMYZZWSUDNVTA-UHFFFAOYSA-N 1 0 304.310 0.092 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]2C1 ZINC001048814499 754957113 /nfs/dbraw/zinc/95/71/13/754957113.db2.gz OJEWZFVRNFOPOA-LXTVHRRPSA-N 1 0 316.361 0.637 20 5 DCBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC(=O)NC2=O)c([N+](=O)[O-])c1 ZINC001170313277 762607497 /nfs/dbraw/zinc/60/74/97/762607497.db2.gz KKWRCIMIFWFJRW-GXSJLCMTSA-N 1 0 321.333 0.787 20 5 DCBDRO CN1CC[N@H+](C)CC(C(=O)NCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000823783492 758270802 /nfs/dbraw/zinc/27/08/02/758270802.db2.gz DKWHGLQROSOVSI-UHFFFAOYSA-N 1 0 320.393 0.747 20 5 DCBDRO Cc1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001086084101 759692842 /nfs/dbraw/zinc/69/28/42/759692842.db2.gz CPSWSZHBMVDORX-LYIQGSDWSA-N 1 0 308.338 0.633 20 5 DCBDRO Cc1conc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086084493 759694987 /nfs/dbraw/zinc/69/49/87/759694987.db2.gz SZHFDIYWKZHBPR-LSCVPOLPSA-N 1 0 308.338 0.633 20 5 DCBDRO [NH3+]Cc1nnnn1-c1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001168920939 760512702 /nfs/dbraw/zinc/51/27/02/760512702.db2.gz MFVUFXYGSWZQTI-UHFFFAOYSA-N 1 0 317.078 0.931 20 5 DCBDRO CN(c1ncc([N+](=O)[O-])c2ccccc21)S(=O)(=O)CC[NH3+] ZINC001156237111 760524818 /nfs/dbraw/zinc/52/48/18/760524818.db2.gz XAOAJBNHZDZUEI-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1 ZINC001168976747 760527619 /nfs/dbraw/zinc/52/76/19/760527619.db2.gz GAQYSOXHODWPAP-TUAOUCFPSA-N 1 0 305.400 0.445 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2nc(CC[NH3+])nc2C)c1 ZINC001168991691 760537666 /nfs/dbraw/zinc/53/76/66/760537666.db2.gz KKXZKYPBBLOIPO-UHFFFAOYSA-N 1 0 305.294 0.772 20 5 DCBDRO NC(=O)c1nc(-n2ncc3c2cccc3C[NH3+])ccc1[N+](=O)[O-] ZINC001169194469 760601010 /nfs/dbraw/zinc/60/10/10/760601010.db2.gz FLPMELCRNZEXPJ-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001123493959 767987094 /nfs/dbraw/zinc/98/70/94/767987094.db2.gz CXYDIPOVQTYHPT-IUODEOHRSA-N 1 0 318.377 0.942 20 5 DCBDRO [NH3+]Cc1ccc2nnn(-c3c(F)c([N+](=O)[O-])cc[n+]3[O-])c2c1 ZINC001170018038 761524151 /nfs/dbraw/zinc/52/41/51/761524151.db2.gz ZKWGNNSKOBJQQS-UHFFFAOYSA-N 1 0 304.241 0.560 20 5 DCBDRO COc1nc(NCCOCCOCC[NH3+])nc(C)c1[N+](=O)[O-] ZINC001170505942 763392217 /nfs/dbraw/zinc/39/22/17/763392217.db2.gz VEHLZLODDSFKEC-UHFFFAOYSA-N 1 0 315.330 0.106 20 5 DCBDRO COc1nc(N(C(C)C)[C@H]2CC[NH2+]C2)nc(OC)c1[N+](=O)[O-] ZINC001158025862 763421370 /nfs/dbraw/zinc/42/13/70/763421370.db2.gz QDGAHFIORLDMKC-VIFPVBQESA-N 1 0 311.342 0.979 20 5 DCBDRO O=[N+]([O-])c1c(Cl)nc(C2CC2)nc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170775053 765700111 /nfs/dbraw/zinc/70/01/11/765700111.db2.gz XVDZIOMQQWOVTA-JGVFFNPUSA-N 1 0 313.745 0.908 20 5 DCBDRO O=C(Cc1ncc[nH]1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001135756212 766082506 /nfs/dbraw/zinc/08/25/06/766082506.db2.gz XKFJMNXPTNNEKV-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO [NH3+]C1(CNC(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001117985404 766187272 /nfs/dbraw/zinc/18/72/72/766187272.db2.gz LUJUWWAUCUEIMG-UHFFFAOYSA-N 1 0 318.333 0.435 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001170992245 766369387 /nfs/dbraw/zinc/36/93/87/766369387.db2.gz DPFPSZISRRYJAT-UHFFFAOYSA-N 1 0 319.321 0.866 20 5 DCBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001119308177 766630889 /nfs/dbraw/zinc/63/08/89/766630889.db2.gz HNOCWIXFNCQNGF-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC3(CC2)C[C@@H](O)CCO3)n1 ZINC001119933563 766865678 /nfs/dbraw/zinc/86/56/78/766865678.db2.gz BMNANVYUJBYZDY-LBPRGKRZSA-N 1 0 310.354 0.797 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC001120936438 767317277 /nfs/dbraw/zinc/31/72/77/767317277.db2.gz OVJCGVHPTHPUIE-LLVKDONJSA-N 1 0 320.349 0.970 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001121291691 767499779 /nfs/dbraw/zinc/49/97/79/767499779.db2.gz OSDPAGOSXYFIBO-GRYCIOLGSA-N 1 0 307.354 0.556 20 5 DCBDRO COc1ccc(CC(=O)N2CCNCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001122288457 767761005 /nfs/dbraw/zinc/76/10/05/767761005.db2.gz SSXZGIXLDWEISO-UHFFFAOYSA-N 1 0 322.365 0.167 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)CC1CC[NH2+]CC1 ZINC001122564102 767833290 /nfs/dbraw/zinc/83/32/90/767833290.db2.gz OFVZVOSVFWHYJV-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO CCC[N@H+](C)CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093787990 768726379 /nfs/dbraw/zinc/72/63/79/768726379.db2.gz QOCYBLQYZCSIRM-UHFFFAOYSA-N 1 0 311.342 0.565 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(=O)cc2occc(O)c1-2 ZINC001233826315 769464250 /nfs/dbraw/zinc/46/42/50/769464250.db2.gz CGGLGFHTBYJOJY-LLVKDONJSA-O 1 0 322.337 0.813 20 5 DCBDRO NC(=O)C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C(N)=O ZINC001172907245 769514467 /nfs/dbraw/zinc/51/44/67/769514467.db2.gz RLJOZKOBDWLOJG-AAEUAGOBSA-N 1 0 320.349 0.161 20 5 DCBDRO COCc1ncc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001234878263 769720293 /nfs/dbraw/zinc/72/02/93/769720293.db2.gz WXQRMMLTPJJMHN-SECBINFHSA-N 1 0 302.326 0.125 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cccnc1 ZINC001154175713 770101959 /nfs/dbraw/zinc/10/19/59/770101959.db2.gz XRWPBIVAXHMAMC-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO COc1cc(NCc2nnn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001155393446 770488998 /nfs/dbraw/zinc/48/89/98/770488998.db2.gz AFBWUOKBFXFEFJ-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001155528131 770536316 /nfs/dbraw/zinc/53/63/16/770536316.db2.gz YYICDULKXPXFGI-GMTAPVOTSA-N 1 0 323.353 0.738 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155543980 770539948 /nfs/dbraw/zinc/53/99/48/770539948.db2.gz XAKNERAXYGNFML-RDDDGLTNSA-N 1 0 300.702 0.424 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)nc1Cl ZINC001155570951 770547643 /nfs/dbraw/zinc/54/76/43/770547643.db2.gz PLSVNCFVUPBVLN-PELKAZGASA-N 1 0 311.729 0.942 20 5 DCBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001179008137 770927514 /nfs/dbraw/zinc/92/75/14/770927514.db2.gz HFEDOXCDRLWRMZ-JTQLQIEISA-N 1 0 309.297 0.937 20 5 DCBDRO [NH3+]CCc1nnn(-c2cc3ncnc(Cl)c3cc2[N+](=O)[O-])n1 ZINC001156985150 770991420 /nfs/dbraw/zinc/99/14/20/770991420.db2.gz SOIPXWMCVHFPTO-UHFFFAOYSA-N 1 0 320.700 0.668 20 5 DCBDRO CC[N@H+](C)[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001181839735 771357421 /nfs/dbraw/zinc/35/74/21/771357421.db2.gz OOEWTBHZCXJXGE-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO CNC(=O)CC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001157001598 771516208 /nfs/dbraw/zinc/51/62/08/771516208.db2.gz UXMKOSOGEOWJGO-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO Cn1cc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)nn1 ZINC001157454875 771612821 /nfs/dbraw/zinc/61/28/21/771612821.db2.gz WABVONSLHVQDGT-UHFFFAOYSA-N 1 0 324.366 0.695 20 5 DCBDRO CCOC(=O)CN(CCC[NH3+])c1ncc([N+](=O)[O-])cc1F ZINC001157548632 771630214 /nfs/dbraw/zinc/63/02/14/771630214.db2.gz JKNQXINEFBWQDJ-UHFFFAOYSA-N 1 0 300.290 0.847 20 5 DCBDRO COc1ncc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC001157766886 771666096 /nfs/dbraw/zinc/66/60/96/771666096.db2.gz BIFAPJWUWJBFAE-VXGBXAGGSA-N 1 0 323.353 0.055 20 5 DCBDRO NC(=O)c1cccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001157767873 771667010 /nfs/dbraw/zinc/66/70/10/771667010.db2.gz ZFLHTFHTSHVFKT-CHWSQXEVSA-N 1 0 320.349 0.047 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001157979264 771706196 /nfs/dbraw/zinc/70/61/96/771706196.db2.gz CZUTVXXOUNMJNO-VIFPVBQESA-N 1 0 317.305 0.778 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001158204645 771740711 /nfs/dbraw/zinc/74/07/11/771740711.db2.gz SLYXVZWFNVAMDA-SECBINFHSA-N 1 0 314.305 0.586 20 5 DCBDRO [NH3+][C@@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC12COC2 ZINC001158762489 771818818 /nfs/dbraw/zinc/81/88/18/771818818.db2.gz OUKTUOGIOMWDSS-MRVPVSSYSA-N 1 0 300.702 0.046 20 5 DCBDRO CN(CC(F)F)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001158925336 771835676 /nfs/dbraw/zinc/83/56/76/771835676.db2.gz HJOUDEOLLHTVOE-UHFFFAOYSA-N 1 0 302.285 0.496 20 5 DCBDRO CCOC(=O)C1=C(Nc2ccc([N+](=O)[O-])c(N)n2)CC[NH2+]C1 ZINC001159453155 771912615 /nfs/dbraw/zinc/91/26/15/771912615.db2.gz RZNBWVLAIHXQIL-UHFFFAOYSA-N 1 0 307.310 0.794 20 5 DCBDRO CN(C)/C=C/c1cc(N[C@H]2C[NH2+]C[C@@H]2CO)ncc1[N+](=O)[O-] ZINC001159679023 771943752 /nfs/dbraw/zinc/94/37/52/771943752.db2.gz AUSGIUXHUSLPQU-LXYZTQFVSA-N 1 0 307.354 0.514 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001159885488 771973275 /nfs/dbraw/zinc/97/32/75/771973275.db2.gz OMIOCHFFRAKDCB-JMJZKYOTSA-N 1 0 305.338 0.642 20 5 DCBDRO COC(=O)c1ccnc(NC[C@H]2C[NH2+]CC(C)(C)O2)c1[N+](=O)[O-] ZINC001161955372 772306791 /nfs/dbraw/zinc/30/67/91/772306791.db2.gz AEHPQFHPESXOBJ-SECBINFHSA-N 1 0 324.337 0.955 20 5 DCBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001162094128 772324877 /nfs/dbraw/zinc/32/48/77/772324877.db2.gz ZZIKZRHEQMZANL-VIFPVBQESA-N 1 0 305.342 0.572 20 5 DCBDRO CCn1cc(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)ccc1=O ZINC001162175866 772335768 /nfs/dbraw/zinc/33/57/68/772335768.db2.gz UIJZXYMVPFZWOA-UHFFFAOYSA-N 1 0 316.321 0.997 20 5 DCBDRO COC(=O)[C@@H](Nc1c(Cl)cncc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162947791 772435594 /nfs/dbraw/zinc/43/55/94/772435594.db2.gz ZMQUBEYLSBFNOQ-SECBINFHSA-N 1 0 302.718 0.756 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NCc2nnc3n2CCC[NH2+]C3)n1 ZINC001163011379 772442823 /nfs/dbraw/zinc/44/28/23/772442823.db2.gz GLMXSSWAPSWFNT-UHFFFAOYSA-N 1 0 320.313 0.090 20 5 DCBDRO Cc1c[n+]([O-])c(NCC[C@@H]2CCOC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163083160 772457843 /nfs/dbraw/zinc/45/78/43/772457843.db2.gz XTXGDBLKSUEUQJ-LLVKDONJSA-N 1 0 308.338 0.717 20 5 DCBDRO CN1Cc2cc(N[C@@H]3C[NH2+][C@@H]4COC[C@H]34)cc([N+](=O)[O-])c2N1 ZINC001163147752 772472294 /nfs/dbraw/zinc/47/22/94/772472294.db2.gz KPZMJYSTKVXISS-IJLUTSLNSA-N 1 0 305.338 0.766 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3ncc([N+](=O)[O-])n3c2)N1 ZINC001163253149 772492483 /nfs/dbraw/zinc/49/24/83/772492483.db2.gz YGFGWAQRBTTYIB-NOZJJQNGSA-N 1 0 302.294 0.233 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3ncc([N+](=O)[O-])n3c2)N1 ZINC001163253153 772492514 /nfs/dbraw/zinc/49/25/14/772492514.db2.gz YGFGWAQRBTTYIB-TVQRCGJNSA-N 1 0 302.294 0.233 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cccc3ncc([N+](=O)[O-])n32)N1 ZINC001163252625 772492595 /nfs/dbraw/zinc/49/25/95/772492595.db2.gz ASTCSMNKHNZQHB-SDBXPKJASA-N 1 0 302.294 0.233 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)c1 ZINC001163252717 772492639 /nfs/dbraw/zinc/49/26/39/772492639.db2.gz BDCQXVRGGKPDOK-SMDDNHRTSA-N 1 0 320.305 0.371 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3nc[nH]c3c2[N+](=O)[O-])N1 ZINC001163253999 772493490 /nfs/dbraw/zinc/49/34/90/772493490.db2.gz OJXYXZUMXJSCSI-ZANVPECISA-N 1 0 302.294 0.461 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1F ZINC001163310662 772503992 /nfs/dbraw/zinc/50/39/92/772503992.db2.gz NLACNVWURZXSCI-RNCFNFMXSA-N 1 0 312.301 0.690 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(C)nc(Cl)c1[N+](=O)[O-] ZINC001165436559 772737409 /nfs/dbraw/zinc/73/74/09/772737409.db2.gz LDKHFFRIQCSKRL-SSDOTTSWSA-N 1 0 315.717 0.298 20 5 DCBDRO COCc1nn(-c2ncnc(OC)c2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165632397 772751623 /nfs/dbraw/zinc/75/16/23/772751623.db2.gz CZUGGTMFLWYYPI-UHFFFAOYSA-N 1 0 306.282 0.329 20 5 DCBDRO CCN(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C1COC1 ZINC001166942770 772885374 /nfs/dbraw/zinc/88/53/74/772885374.db2.gz VERJKBZRQTVDHA-UHFFFAOYSA-N 1 0 308.342 0.020 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C2C[NH2+]C2)S(C)(=O)=O)n1 ZINC001166968809 772892798 /nfs/dbraw/zinc/89/27/98/772892798.db2.gz LVCBTIKJSRDIBA-UHFFFAOYSA-N 1 0 300.340 0.344 20 5 DCBDRO CS(=O)(=O)N(c1ncnc2cccc([N+](=O)[O-])c21)C1C[NH2+]C1 ZINC001166972807 772894936 /nfs/dbraw/zinc/89/49/36/772894936.db2.gz ZEIQBBNAOCOFRD-UHFFFAOYSA-N 1 0 323.334 0.276 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001206837742 773111300 /nfs/dbraw/zinc/11/13/00/773111300.db2.gz HKNFKISPMINUGO-RYUDHWBXSA-N 1 0 320.349 0.230 20 5 DCBDRO NS(=O)(=O)c1ccc([N+](=O)[O-])cc1O[C@H]1CCC[NH2+]C1 ZINC001218285024 774219946 /nfs/dbraw/zinc/21/99/46/774219946.db2.gz AWUSEUYICWCFGW-VIFPVBQESA-N 1 0 301.324 0.373 20 5 DCBDRO Cc1nonc1C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001153561473 774822382 /nfs/dbraw/zinc/82/23/82/774822382.db2.gz SNLYEVUAUWZQGF-UHFFFAOYSA-N 1 0 305.294 0.806 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1cccc2c1OCCO2 ZINC001223280967 775479407 /nfs/dbraw/zinc/47/94/07/775479407.db2.gz SYKOUZDBXWBXOI-CYBMUJFWSA-N 1 0 310.370 0.958 20 5 DCBDRO CC1(C)CC[N@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001223645328 775507059 /nfs/dbraw/zinc/50/70/59/775507059.db2.gz CEOJXGXCNOODMN-UHFFFAOYSA-N 1 0 324.385 0.822 20 5 DCBDRO C[C@@H](COC(=O)C[C@@H](O)C[N+](C)(C)C)NC(=O)OC(C)(C)C ZINC001225160217 775650124 /nfs/dbraw/zinc/65/01/24/775650124.db2.gz ANSZHAZOWIILRE-NWDGAFQWSA-O 1 0 319.422 0.900 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(-n2cnnn2)cc1 ZINC001225481772 775684925 /nfs/dbraw/zinc/68/49/25/775684925.db2.gz INRQSYGNBZNHJT-GFCCVEGCSA-N 1 0 306.346 0.025 20 5 DCBDRO O=C(NC1CC[NH+](CCOCC(F)F)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001227258110 775951571 /nfs/dbraw/zinc/95/15/71/775951571.db2.gz KJYLLEZJKABWIW-GHMZBOCLSA-N 1 0 321.324 0.514 20 5 DCBDRO CC(=O)N[C@@H](Cc1ccc(O[C@H](C)C[N+](C)(C)C)cc1)C(N)=O ZINC001227936518 776027576 /nfs/dbraw/zinc/02/75/76/776027576.db2.gz WMVRLZXWBYJJRY-WBMJQRKESA-O 1 0 322.429 0.693 20 5 DCBDRO CCOc1ncc(F)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001228367216 776076046 /nfs/dbraw/zinc/07/60/46/776076046.db2.gz FJKPQTCFPYPECK-SECBINFHSA-N 1 0 302.326 0.377 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001246155710 945353395 /nfs/dbraw/zinc/35/33/95/945353395.db2.gz ZPUQGWJALJSMON-DGFSRKRXSA-N 1 0 304.350 0.694 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCC3CCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001491313802 943910144 /nfs/dbraw/zinc/91/01/44/943910144.db2.gz KKMCZHBJBRRJRF-QMIVOQANSA-N 1 0 323.393 0.515 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246905547 945516488 /nfs/dbraw/zinc/51/64/88/945516488.db2.gz PJQAYPSTJNIKJM-BNOWGMLFSA-N 1 0 305.334 0.637 20 5 DCBDRO CN(CC1CC[NH+](C)CC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319368195 945571207 /nfs/dbraw/zinc/57/12/07/945571207.db2.gz FCWMYGUTLYJOSE-UHFFFAOYSA-N 1 0 322.365 0.557 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC001248351486 945598912 /nfs/dbraw/zinc/59/89/12/945598912.db2.gz CJAZKNMTZISASX-QMMMGPOBSA-N 1 0 309.257 0.710 20 5 DCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001319702151 945648538 /nfs/dbraw/zinc/64/85/38/945648538.db2.gz ROMIJJLYOZXTRO-UHFFFAOYSA-N 1 0 321.381 0.746 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC001321182443 946202354 /nfs/dbraw/zinc/20/23/54/946202354.db2.gz ZJAXOCVHCQBKLO-UHFFFAOYSA-N 1 0 324.385 0.084 20 5 DCBDRO Cc1nc(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-] ZINC001324486395 947441060 /nfs/dbraw/zinc/44/10/60/947441060.db2.gz MQAXPAWGDSFAFU-DGCLKSJQSA-N 1 0 307.354 0.729 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001325336774 947759453 /nfs/dbraw/zinc/75/94/53/947759453.db2.gz BJCUWWQQBNXNCI-NSHDSACASA-N 1 0 322.365 0.368 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC001326086247 948047973 /nfs/dbraw/zinc/04/79/73/948047973.db2.gz ACFQESLDVQTXIG-TVQRCGJNSA-N 1 0 308.338 0.825 20 5 DCBDRO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001328190882 948736581 /nfs/dbraw/zinc/73/65/81/948736581.db2.gz ULYNSYQKXODSLB-ZDUSSCGKSA-N 1 0 318.333 0.305 20 5 DCBDRO CC(C)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001264414997 948964782 /nfs/dbraw/zinc/96/47/82/948964782.db2.gz XQLUULTXNFNGIM-XYPYZODXSA-N 1 0 309.370 0.969 20 5 DCBDRO Cc1n[nH]c(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC001328828104 949121425 /nfs/dbraw/zinc/12/14/25/949121425.db2.gz QNPAXPCYIUCBKN-NSHDSACASA-N 1 0 323.353 0.609 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001329058666 949321447 /nfs/dbraw/zinc/32/14/47/949321447.db2.gz BTDGWWWLWLUXHR-UHFFFAOYSA-N 1 0 308.338 0.061 20 5 DCBDRO Cc1nc(N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)ncc1[N+](=O)[O-] ZINC001329255305 949468938 /nfs/dbraw/zinc/46/89/38/949468938.db2.gz YAJZOKQUKAXXPD-JTQLQIEISA-N 1 0 308.342 0.249 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1ncccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001329292455 949484915 /nfs/dbraw/zinc/48/49/15/949484915.db2.gz NFKJYJVSJFYTCT-VXGBXAGGSA-N 1 0 321.381 0.716 20 5 DCBDRO CC(C)(C)CC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001329654858 949751360 /nfs/dbraw/zinc/75/13/60/949751360.db2.gz GYDIGNQTURCNCJ-VXGBXAGGSA-N 1 0 313.398 0.641 20 5 DCBDRO Cn1nccc1C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001266135614 950409025 /nfs/dbraw/zinc/40/90/25/950409025.db2.gz QTVPLPZZQONCDY-ZIAGYGMSSA-N 1 0 321.381 0.556 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001332710645 951771609 /nfs/dbraw/zinc/77/16/09/951771609.db2.gz SHJHPUBEGJYVSN-UHFFFAOYSA-N 1 0 307.314 0.339 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001332962729 951866774 /nfs/dbraw/zinc/86/67/74/951866774.db2.gz YYFLPXXNODKYNA-UHFFFAOYSA-N 1 0 304.350 0.385 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@H]2C1 ZINC001339666218 953110984 /nfs/dbraw/zinc/11/09/84/953110984.db2.gz LKIHKEGNWMDMAK-SDDRHHMPSA-N 1 0 308.386 0.758 20 5 DCBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001342251606 953279177 /nfs/dbraw/zinc/27/91/77/953279177.db2.gz XVICBITUHYLDNQ-LBPRGKRZSA-N 1 0 311.313 0.920 20 5 DCBDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001344846661 953543176 /nfs/dbraw/zinc/54/31/76/953543176.db2.gz OIPUKANJIXDWAD-DCAQKATOSA-N 1 0 308.338 0.354 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCC[NH3+] ZINC001345944499 953768389 /nfs/dbraw/zinc/76/83/89/953768389.db2.gz NPDCNFXDRLRZQY-UHFFFAOYSA-N 1 0 303.340 0.621 20 5 DCBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC[NH2+]CC1 ZINC001346450323 953890696 /nfs/dbraw/zinc/89/06/96/953890696.db2.gz CUMNQHBRNYBMGQ-UHFFFAOYSA-N 1 0 308.338 0.357 20 5 DCBDRO Cc1cccc(C(=O)N2CCN(C3CN(C)C3)CC2)c1[N+](=O)[O-] ZINC001347363726 954078155 /nfs/dbraw/zinc/07/81/55/954078155.db2.gz XIQGBIVCLASCJD-UHFFFAOYSA-N 1 0 318.377 0.975 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@@H+]2CCN1C[C@@H]2C ZINC001347704844 954152231 /nfs/dbraw/zinc/15/22/31/954152231.db2.gz NNKUSMIDYXQSDD-HZMBPMFUSA-N 1 0 319.365 0.963 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC001348965556 954550721 /nfs/dbraw/zinc/55/07/21/954550721.db2.gz ORQWHIIHXBVEFZ-HNNXBMFYSA-N 1 0 323.349 0.499 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001349418007 954744892 /nfs/dbraw/zinc/74/48/92/954744892.db2.gz MYDHCAVNGYITDY-OAHLLOKOSA-N 1 0 320.349 0.359 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC001350413047 955087326 /nfs/dbraw/zinc/08/73/26/955087326.db2.gz ZDWHXWYVCWGQTN-UHFFFAOYSA-N 1 0 322.365 0.749 20 5 DCBDRO C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001352805535 955773691 /nfs/dbraw/zinc/77/36/91/955773691.db2.gz YSDVUZXWRRKQAL-NSHDSACASA-N 1 0 322.365 0.792 20 5 DCBDRO O=C(CC[NH2+]CC[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 ZINC001353278474 955999335 /nfs/dbraw/zinc/99/93/35/955999335.db2.gz RHTOOKPQBZTMGR-UHFFFAOYSA-N 1 0 324.356 0.731 20 5 DCBDRO C[N@@H+]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C(C)(C)C1 ZINC001472027618 956190531 /nfs/dbraw/zinc/19/05/31/956190531.db2.gz WNPSJPSJXOURLD-GFCCVEGCSA-N 1 0 308.338 0.213 20 5 DCBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCNCC[NH2+]CC1 ZINC001355016961 956579927 /nfs/dbraw/zinc/57/99/27/956579927.db2.gz YBMCHSNJKQMHBT-CABCVRRESA-N 1 0 318.377 0.720 20 5 DCBDRO CC(C)(CO)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001295838991 957827233 /nfs/dbraw/zinc/82/72/33/957827233.db2.gz BBDRWIOEZUWFRT-UHFFFAOYSA-N 1 0 322.365 0.706 20 5 DCBDRO CON(C)C(=O)CC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001307999847 960165753 /nfs/dbraw/zinc/16/57/53/960165753.db2.gz PTOHPMPRPOZJRE-AWEZNQCLSA-N 1 0 311.338 0.802 20 5 DCBDRO CC(C)S(=O)(=O)CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001308794744 960183497 /nfs/dbraw/zinc/18/34/97/960183497.db2.gz YQBVPAFDTCCZCE-UHFFFAOYSA-N 1 0 316.383 0.908 20 5 DCBDRO Cc1cccc(C(=O)N2CC(N3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC001339548520 960206116 /nfs/dbraw/zinc/20/61/16/960206116.db2.gz JHTDEONHEYTQIH-UHFFFAOYSA-N 1 0 318.377 0.975 20 5 DCBDRO CC1(C)CN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)CCO1 ZINC001464619286 1015927716 /nfs/dbraw/zinc/92/77/16/1015927716.db2.gz FHONGNRSDJRQDX-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO CCc1n[nH]c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC001471373689 1016565979 /nfs/dbraw/zinc/56/59/79/1016565979.db2.gz MJYFXKMHNQGIDR-CYBMUJFWSA-N 1 0 311.342 0.019 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC001472608367 1016834464 /nfs/dbraw/zinc/83/44/64/1016834464.db2.gz ASUGRXMYEVAAKT-VIFPVBQESA-N 1 0 324.337 0.270 20 5 DCBDRO Cc1nnc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH]1 ZINC001473556076 1016950501 /nfs/dbraw/zinc/95/05/01/1016950501.db2.gz JSJJDAXQFWRWQO-LLVKDONJSA-N 1 0 318.337 0.673 20 5 DCBDRO CS(=O)(=O)CCOCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001474010671 1016995858 /nfs/dbraw/zinc/99/58/58/1016995858.db2.gz URENZHCQNDHVMV-UHFFFAOYSA-N 1 0 302.352 0.746 20 5 DCBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1C[N@H+](C)CCN1C ZINC001559284831 1012414960 /nfs/dbraw/zinc/41/49/60/1012414960.db2.gz RUXJKWCXSCIAGZ-QMTHXVAHSA-N 1 0 321.381 0.740 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c([N+](=O)[O-])c1 ZINC001559909552 1012436792 /nfs/dbraw/zinc/43/67/92/1012436792.db2.gz IVXNAIUUCHSPDG-OLZOCXBDSA-N 1 0 323.349 0.571 20 5 DCBDRO COc1c(C)[nH]cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1=O ZINC001560044143 1012441473 /nfs/dbraw/zinc/44/14/73/1012441473.db2.gz VZXPJITUCWRKHI-UHFFFAOYSA-N 1 0 321.337 0.929 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CC[C@@H](c3ncccn3)C2)c1 ZINC001460853418 1012982133 /nfs/dbraw/zinc/98/21/33/1012982133.db2.gz BXIFZVKUQZQIIY-YPMHNXCESA-N 1 0 318.337 0.432 20 5 DCBDRO CC[N@H+](C)[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001478172535 1017325507 /nfs/dbraw/zinc/32/55/07/1017325507.db2.gz VUMOCOBNOYVVKY-LLVKDONJSA-N 1 0 310.358 0.527 20 5 DCBDRO COC(=O)C[C@@]1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCOC1 ZINC001642657217 1171952035 /nfs/dbraw/zinc/95/20/35/1171952035.db2.gz IHCDABOPSDXHGC-ZDUSSCGKSA-N 1 0 312.326 0.412 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173000061 198175665 /nfs/dbraw/zinc/17/56/65/198175665.db2.gz YGVSZPZAHLMLLB-UHFFFAOYSA-N 1 0 306.366 0.501 20 5 DCBDRO CCOC(=O)N1CCCN(CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174837250 198391464 /nfs/dbraw/zinc/39/14/64/198391464.db2.gz PZJUEWSRDPOLCZ-UHFFFAOYSA-N 1 0 311.342 0.956 20 5 DCBDRO C[C@@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C[NH+]1CCCC1 ZINC000126416873 295946689 /nfs/dbraw/zinc/94/66/89/295946689.db2.gz WQCAEPXSSHBQQU-LBPRGKRZSA-N 1 0 322.365 0.605 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000178679161 198910319 /nfs/dbraw/zinc/91/03/19/198910319.db2.gz KDZFEVQHUDQIBD-SECBINFHSA-N 1 0 304.310 0.643 20 5 DCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000193669184 283428577 /nfs/dbraw/zinc/42/85/77/283428577.db2.gz JPNOOYJPXGDHNP-JTQLQIEISA-N 1 0 324.337 0.648 20 5 DCBDRO [NH3+]C1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000157614359 237059666 /nfs/dbraw/zinc/05/96/66/237059666.db2.gz QOEHVWVEWNTTTC-UHFFFAOYSA-N 1 0 321.333 0.858 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000319142660 291256213 /nfs/dbraw/zinc/25/62/13/291256213.db2.gz XYSWVXZRTAWMHY-NSHDSACASA-N 1 0 307.354 0.053 20 5 DCBDRO CC[C@H](C)[N@@H+](CC(=O)OC)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281527729 216363214 /nfs/dbraw/zinc/36/32/14/216363214.db2.gz ZUJFIQGISVKLRE-JQWIXIFHSA-N 1 0 314.342 0.426 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419761144 239950997 /nfs/dbraw/zinc/95/09/97/239950997.db2.gz PCOSCEDDYXAOQB-UHFFFAOYSA-N 1 0 322.365 0.587 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000419763091 239953497 /nfs/dbraw/zinc/95/34/97/239953497.db2.gz UGZWIPXAMMHNKH-JTQLQIEISA-N 1 0 320.349 0.340 20 5 DCBDRO C[C@H](C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000567122362 291338529 /nfs/dbraw/zinc/33/85/29/291338529.db2.gz FJOGDYHLPALNNW-BPNCWPANSA-N 1 0 307.350 0.832 20 5 DCBDRO C[NH2+][C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430614691 240402463 /nfs/dbraw/zinc/40/24/63/240402463.db2.gz ZXJHUIMMZCCAEH-FZMZJTMJSA-N 1 0 304.350 0.994 20 5 DCBDRO CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000573606004 291643478 /nfs/dbraw/zinc/64/34/78/291643478.db2.gz FUBKLQCCNOMJFM-JTQLQIEISA-N 1 0 316.383 0.984 20 5 DCBDRO CNc1ccc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000574517160 291699615 /nfs/dbraw/zinc/69/96/15/291699615.db2.gz VNEKPVZXTMWLEZ-LLVKDONJSA-N 1 0 307.354 0.351 20 5 DCBDRO COc1cc(C(=O)NC[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1OC ZINC000273080838 210461132 /nfs/dbraw/zinc/46/11/32/210461132.db2.gz XNFNBFMEGOBGRU-VIFPVBQESA-N 1 0 309.322 0.951 20 5 DCBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000343783182 253702955 /nfs/dbraw/zinc/70/29/55/253702955.db2.gz QUFWKPGNLFEUAO-NWDGAFQWSA-N 1 0 322.365 0.746 20 5 DCBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)C1 ZINC000346179328 254019569 /nfs/dbraw/zinc/01/95/69/254019569.db2.gz BBOIXLXUNKYSGU-OUCADQQQSA-N 1 0 321.381 0.980 20 5 DCBDRO C[C@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346222619 254024787 /nfs/dbraw/zinc/02/47/87/254024787.db2.gz LYWGLFPVBTUANX-MNOVXSKESA-N 1 0 322.365 0.779 20 5 DCBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])CC(=O)N1CC[NH2+]CC1 ZINC000347007754 254120733 /nfs/dbraw/zinc/12/07/33/254120733.db2.gz DJVVFUCZLIPVTP-XQRVVYSFSA-N 1 0 318.377 0.972 20 5 DCBDRO CCn1cc(S(=O)(=O)N(C)CC(C)(C)C[NH3+])c([N+](=O)[O-])n1 ZINC000353374290 254453652 /nfs/dbraw/zinc/45/36/52/254453652.db2.gz WPPFWNPKYGAOPL-UHFFFAOYSA-N 1 0 319.387 0.417 20 5 DCBDRO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)CCN1CCOCC1 ZINC000090525801 395719023 /nfs/dbraw/zinc/71/90/23/395719023.db2.gz DYBPNQBQIFOGPO-UHFFFAOYSA-N 1 0 310.354 0.021 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000026856816 395694583 /nfs/dbraw/zinc/69/45/83/395694583.db2.gz BIWXUTDUESWILS-VIFPVBQESA-N 1 0 317.367 0.832 20 5 DCBDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000111304243 395806799 /nfs/dbraw/zinc/80/67/99/395806799.db2.gz IAWMTHDZPJEDNJ-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO C[NH+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000118094163 395858837 /nfs/dbraw/zinc/85/88/37/395858837.db2.gz YRUZBWFCNZNOSQ-UHFFFAOYSA-N 1 0 314.729 0.865 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000195219127 395821339 /nfs/dbraw/zinc/82/13/39/395821339.db2.gz XPQPCRWVJQKWFM-TXEJJXNPSA-N 1 0 307.354 0.476 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCN1CC[NH+](C)CC1 ZINC000117284944 395851279 /nfs/dbraw/zinc/85/12/79/395851279.db2.gz RZPXELLZCMVNRL-UHFFFAOYSA-N 1 0 309.370 0.301 20 5 DCBDRO CN(CCC[NH+](C)C)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000117642812 395853775 /nfs/dbraw/zinc/85/37/75/395853775.db2.gz QJODDGWZEKCGCX-UHFFFAOYSA-N 1 0 316.383 0.630 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000125818979 395906379 /nfs/dbraw/zinc/90/63/79/395906379.db2.gz YOSUGXYFFHVISY-WDEREUQCSA-N 1 0 320.349 0.533 20 5 DCBDRO O=C(C[NH2+]C1CC1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238158967 395922549 /nfs/dbraw/zinc/92/25/49/395922549.db2.gz XPIBHLOUURRWBR-LLVKDONJSA-N 1 0 305.338 0.755 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000152086867 396000434 /nfs/dbraw/zinc/00/04/34/396000434.db2.gz KJDQTHDOSSBYDV-LBPRGKRZSA-N 1 0 303.322 0.916 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)CCNc2ccccc2[N+](=O)[O-])CCO1 ZINC000274766541 395974715 /nfs/dbraw/zinc/97/47/15/395974715.db2.gz JCQGYUSVUDVDKQ-LLVKDONJSA-N 1 0 308.338 0.583 20 5 DCBDRO [NH3+][C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000261686559 396056297 /nfs/dbraw/zinc/05/62/97/396056297.db2.gz ITQCKGSRSPKVCO-QWHCGFSZSA-N 1 0 315.333 0.745 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277432230 396067416 /nfs/dbraw/zinc/06/74/16/396067416.db2.gz DUBIRMBQFIKHAQ-LBPRGKRZSA-N 1 0 307.354 0.924 20 5 DCBDRO COCC[N@H+](C)CCNc1ncc(C(=O)OC)cc1[N+](=O)[O-] ZINC000276576024 396011680 /nfs/dbraw/zinc/01/16/80/396011680.db2.gz NVHKBWCHUYNRHM-UHFFFAOYSA-N 1 0 312.326 0.767 20 5 DCBDRO C[NH2+]CCN(C)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000070304503 396101350 /nfs/dbraw/zinc/10/13/50/396101350.db2.gz MOCXSVQWHPZTHL-UHFFFAOYSA-N 1 0 316.383 0.501 20 5 DCBDRO C[C@H]1CN=C(N2CCN(CCn3ccc([N+](=O)[O-])n3)CC2)S1 ZINC000175806860 396142133 /nfs/dbraw/zinc/14/21/33/396142133.db2.gz OOWCXNUTLSWJOJ-NSHDSACASA-N 1 0 324.410 0.900 20 5 DCBDRO O=C(CC[NH+]1C[C@H](O)[C@@H](O)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000278963603 396143732 /nfs/dbraw/zinc/14/37/32/396143732.db2.gz ZTKLCQSRLHFYPX-RYUDHWBXSA-N 1 0 313.285 0.100 20 5 DCBDRO COC[C@]1(CNc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[NH2+]1 ZINC000262552902 396154613 /nfs/dbraw/zinc/15/46/13/396154613.db2.gz STNQWZSUAYGOEI-CQSZACIVSA-N 1 0 308.338 0.874 20 5 DCBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000177604002 396179850 /nfs/dbraw/zinc/17/98/50/396179850.db2.gz AJQISLFDVUVDTD-NWDGAFQWSA-N 1 0 322.365 0.746 20 5 DCBDRO O=C(NCCC[NH+]1CCCCC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000178275226 396193053 /nfs/dbraw/zinc/19/30/53/396193053.db2.gz RKRLSJAIRZAKRT-UHFFFAOYSA-N 1 0 324.385 0.967 20 5 DCBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])c(N)n1)[NH+]1CCN(C)CC1 ZINC000076267752 396200148 /nfs/dbraw/zinc/20/01/48/396200148.db2.gz LDWDQEULRTYUCT-NSHDSACASA-N 1 0 323.401 0.651 20 5 DCBDRO CN(CCC[NH+]1CCCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000281830448 396243177 /nfs/dbraw/zinc/24/31/77/396243177.db2.gz WIXULADWJOXRBH-UHFFFAOYSA-N 1 0 322.365 0.701 20 5 DCBDRO O=C1NC(=O)C2(CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)N1 ZINC000263993890 396248030 /nfs/dbraw/zinc/24/80/30/396248030.db2.gz WQRAHLHNBUXFPK-UHFFFAOYSA-N 1 0 318.333 0.811 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000080959275 396289743 /nfs/dbraw/zinc/28/97/43/396289743.db2.gz GIWUYIDPHPDPNI-YPMHNXCESA-N 1 0 320.353 0.755 20 5 DCBDRO CC(C)(CO)[NH+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000081017145 396291844 /nfs/dbraw/zinc/29/18/44/396291844.db2.gz BSJBIDOVIRQIHJ-UHFFFAOYSA-N 1 0 322.365 0.587 20 5 DCBDRO CC[N@H+](CCO)CCNCc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000184548879 396298615 /nfs/dbraw/zinc/29/86/15/396298615.db2.gz IGJGNOILCLVDLE-UHFFFAOYSA-N 1 0 313.354 0.713 20 5 DCBDRO CN1CC[C@@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000265667658 396335803 /nfs/dbraw/zinc/33/58/03/396335803.db2.gz WESGASPFBIJTDK-GXTWGEPZSA-N 1 0 323.349 0.497 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000286051795 396371995 /nfs/dbraw/zinc/37/19/95/396371995.db2.gz LIYPJZOUJRAGSE-ISTVAULSSA-N 1 0 309.370 0.993 20 5 DCBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269208951 396394555 /nfs/dbraw/zinc/39/45/55/396394555.db2.gz OBRJVXHHGSXGQA-CMPLNLGQSA-N 1 0 313.741 0.929 20 5 DCBDRO O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1C[C@@H]1C[NH2+]CCO1 ZINC000594698010 396498066 /nfs/dbraw/zinc/49/80/66/396498066.db2.gz HHKGBQNDMVIWHB-ZDUSSCGKSA-N 1 0 316.317 0.807 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3Cl)CCN2C1=O ZINC000594738101 396503686 /nfs/dbraw/zinc/50/36/86/396503686.db2.gz HADMJSUURDLGDB-YPMHNXCESA-N 1 0 324.768 0.992 20 5 DCBDRO C[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000291734159 396509930 /nfs/dbraw/zinc/50/99/30/396509930.db2.gz JXSHOLOLWVQTIP-SNVBAGLBSA-N 1 0 308.338 0.847 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000289136769 396455424 /nfs/dbraw/zinc/45/54/24/396455424.db2.gz FIRWBPAUGWVFLI-LBPRGKRZSA-N 1 0 319.365 0.297 20 5 DCBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290721753 396470899 /nfs/dbraw/zinc/47/08/99/396470899.db2.gz ZAKSUSSRDSSNPP-SNVBAGLBSA-N 1 0 307.354 0.867 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290850018 396474312 /nfs/dbraw/zinc/47/43/12/396474312.db2.gz XGAVCUAJHIZCFB-KWQFWETISA-N 1 0 305.338 0.983 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3csc([N+](=O)[O-])c3)CCN2C1=O ZINC000579979063 396482981 /nfs/dbraw/zinc/48/29/81/396482981.db2.gz OOZLJYXCDBJRBZ-IUCAKERBSA-N 1 0 310.335 0.040 20 5 DCBDRO [NH3+]CCCn1cc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)nn1 ZINC000594643628 396492412 /nfs/dbraw/zinc/49/24/12/396492412.db2.gz GWWMUXANQKQRQR-UHFFFAOYSA-N 1 0 319.325 0.857 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000581777506 396583600 /nfs/dbraw/zinc/58/36/00/396583600.db2.gz OTWVASOIMBLTII-LLVKDONJSA-N 1 0 322.369 0.559 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595243064 396569135 /nfs/dbraw/zinc/56/91/35/396569135.db2.gz ABOBHLQYBSEYJR-MRVPVSSYSA-N 1 0 310.310 0.266 20 5 DCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000582360600 396606015 /nfs/dbraw/zinc/60/60/15/396606015.db2.gz VRSVVHZSPCJERJ-MNOVXSKESA-N 1 0 322.365 0.496 20 5 DCBDRO C[N@@H+]1CCCN(CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000586780254 396665294 /nfs/dbraw/zinc/66/52/94/396665294.db2.gz WKYNPKJDPJXUNQ-UHFFFAOYSA-N 1 0 310.358 0.075 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc2c1C[NH2+]C2 ZINC000595926283 396683832 /nfs/dbraw/zinc/68/38/32/396683832.db2.gz HNTSEMJDBFTPPY-UHFFFAOYSA-N 1 0 301.306 0.825 20 5 DCBDRO C[C@]1(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC[NH2+]C1 ZINC000595991168 396704936 /nfs/dbraw/zinc/70/49/36/396704936.db2.gz HHEOEAQADYQVAS-AWEZNQCLSA-N 1 0 316.321 0.657 20 5 DCBDRO COC(=O)[C@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+](C)C1 ZINC000596274105 396750475 /nfs/dbraw/zinc/75/04/75/396750475.db2.gz ZBHUMEWNGURCNC-SECBINFHSA-N 1 0 309.326 0.113 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@@H]1CCCC[C@@H]1O ZINC000305804326 396752170 /nfs/dbraw/zinc/75/21/70/396752170.db2.gz JAJLLMJNZXAFGO-UBHSHLNASA-N 1 0 312.370 0.635 20 5 DCBDRO CCN(CC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000312220130 396763745 /nfs/dbraw/zinc/76/37/45/396763745.db2.gz ZWVDDSLOIDLJTF-UHFFFAOYSA-N 1 0 303.340 0.573 20 5 DCBDRO COc1ccc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000610999294 396802330 /nfs/dbraw/zinc/80/23/30/396802330.db2.gz ZELCWSROIWVWJK-ZDUSSCGKSA-N 1 0 321.337 0.688 20 5 DCBDRO Nc1ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)nc1[N+](=O)[O-] ZINC000590584847 396803748 /nfs/dbraw/zinc/80/37/48/396803748.db2.gz OCWYCABMDVUKAJ-NSHDSACASA-N 1 0 307.354 0.731 20 5 DCBDRO CNc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600526799 396883755 /nfs/dbraw/zinc/88/37/55/396883755.db2.gz MENDGKQDEIERHZ-LLVKDONJSA-N 1 0 308.338 0.433 20 5 DCBDRO COc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000570955407 396940911 /nfs/dbraw/zinc/94/09/11/396940911.db2.gz MHDIFJCHVOVJTJ-GFCCVEGCSA-N 1 0 307.310 0.346 20 5 DCBDRO COc1c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000600808428 396948369 /nfs/dbraw/zinc/94/83/69/396948369.db2.gz ODCYSLIKBRCSGS-JTQLQIEISA-N 1 0 309.322 0.400 20 5 DCBDRO CCc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000601346135 397070058 /nfs/dbraw/zinc/07/00/58/397070058.db2.gz NHKMSLNEZBQYIC-QWRGUYRKSA-N 1 0 311.363 0.892 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000592554612 397212359 /nfs/dbraw/zinc/21/23/59/397212359.db2.gz JOMZWBSNGQOMEH-WDEREUQCSA-N 1 0 322.365 0.957 20 5 DCBDRO [NH3+]CC[C@@H](NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C(F)F ZINC000598913814 397306547 /nfs/dbraw/zinc/30/65/47/397306547.db2.gz OPZLWZGXLHQVAC-SECBINFHSA-N 1 0 316.264 0.632 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000599110946 397341519 /nfs/dbraw/zinc/34/15/19/397341519.db2.gz HTUQYRXLMOSPKV-UHFFFAOYSA-N 1 0 317.367 0.499 20 5 DCBDRO Nc1nc(NCCCCc2ccc([N+](=O)[O-])cc2)nc(N)[nH+]1 ZINC000599047417 397327930 /nfs/dbraw/zinc/32/79/30/397327930.db2.gz WDOPUZHUIONZMX-UHFFFAOYSA-N 1 0 303.326 0.462 20 5 DCBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602591837 397445561 /nfs/dbraw/zinc/44/55/61/397445561.db2.gz OFGJKWFZJBZRHV-AOOOYVTPSA-N 1 0 319.317 0.942 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602464912 397409122 /nfs/dbraw/zinc/40/91/22/397409122.db2.gz OCBUMVRYNLSQLM-AWEZNQCLSA-N 1 0 322.413 0.540 20 5 DCBDRO CO[C@]1(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CCOC1 ZINC000602689676 397462705 /nfs/dbraw/zinc/46/27/05/397462705.db2.gz XFRCNLYHTUGGMZ-HNNXBMFYSA-N 1 0 322.365 0.917 20 5 DCBDRO O=C1NCC[C@@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593981828 397489698 /nfs/dbraw/zinc/48/96/98/397489698.db2.gz URKHHHBCQHQZLH-LLVKDONJSA-N 1 0 307.354 0.954 20 5 DCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000599941771 397548398 /nfs/dbraw/zinc/54/83/98/397548398.db2.gz UKOOSPIWTLZDFQ-ZDUSSCGKSA-N 1 0 322.365 0.767 20 5 DCBDRO O=[N+]([O-])c1ccccc1Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000603186969 397581492 /nfs/dbraw/zinc/58/14/92/397581492.db2.gz OADHJMCNBXGKCS-UHFFFAOYSA-N 1 0 316.365 0.682 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000599939267 397545958 /nfs/dbraw/zinc/54/59/58/397545958.db2.gz UQVDETFDWKDDJY-PWSUYJOCSA-N 1 0 308.338 0.214 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609383576 397773137 /nfs/dbraw/zinc/77/31/37/397773137.db2.gz VKTOACGGZIBQGV-LBPRGKRZSA-N 1 0 307.354 0.782 20 5 DCBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000609833214 397793330 /nfs/dbraw/zinc/79/33/30/397793330.db2.gz BFJLYHWWKAJVIO-GFCCVEGCSA-N 1 0 322.365 0.747 20 5 DCBDRO O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000169193368 158373712 /nfs/dbraw/zinc/37/37/12/158373712.db2.gz VXORHFVHXOVXPA-QMTHXVAHSA-N 1 0 323.328 0.704 20 5 DCBDRO C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C[NH+](C)C ZINC000173049245 158403323 /nfs/dbraw/zinc/40/33/23/158403323.db2.gz UTSQYWGDECWTTR-LLVKDONJSA-N 1 0 324.381 0.849 20 5 DCBDRO O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261973959 158759967 /nfs/dbraw/zinc/75/99/67/158759967.db2.gz ZIYJACJLYFYRKA-LBPRGKRZSA-N 1 0 322.340 0.854 20 5 DCBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000330547076 159190461 /nfs/dbraw/zinc/19/04/61/159190461.db2.gz VPLGWKRXJFPICC-UHFFFAOYSA-N 1 0 310.358 0.565 20 5 DCBDRO C[N@H+](CCCO)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000330606317 159201814 /nfs/dbraw/zinc/20/18/14/159201814.db2.gz NJZUZRLAUFOTAF-UHFFFAOYSA-N 1 0 311.342 0.237 20 5 DCBDRO CC[N@H+](C)CCNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000152471489 287041829 /nfs/dbraw/zinc/04/18/29/287041829.db2.gz AFRLLCLRRBSSTB-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO CCOC[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246645688 287086292 /nfs/dbraw/zinc/08/62/92/287086292.db2.gz CQKGIDSSWNIYGX-GXTWGEPZSA-N 1 0 312.370 0.901 20 5 DCBDRO CN(CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2)C1C[NH2+]C1 ZINC000357079824 287203459 /nfs/dbraw/zinc/20/34/59/287203459.db2.gz DFCJITSVLUIFBY-UHFFFAOYSA-N 1 0 308.294 0.166 20 5 DCBDRO C[C@H](C[NH3+])CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420413948 287296506 /nfs/dbraw/zinc/29/65/06/287296506.db2.gz DGIUZBXZOGUPJG-SNVBAGLBSA-N 1 0 301.368 0.652 20 5 DCBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000420443688 287298043 /nfs/dbraw/zinc/29/80/43/287298043.db2.gz BJRVNNHLKRJLMQ-YPMHNXCESA-N 1 0 311.363 0.718 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000273098134 415310543 /nfs/dbraw/zinc/31/05/43/415310543.db2.gz UAVXLQXFBFBECW-UHFFFAOYSA-N 1 0 320.349 0.405 20 5 DCBDRO Cn1c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000342956018 415375808 /nfs/dbraw/zinc/37/58/08/415375808.db2.gz NISQXKRYUWQNEA-GFCCVEGCSA-N 1 0 324.381 0.900 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H](C[NH3+])CC(C)C)c([N+](=O)[O-])n1 ZINC000353213063 415477375 /nfs/dbraw/zinc/47/73/75/415477375.db2.gz BODQKZSLNAHTPZ-VIFPVBQESA-N 1 0 319.387 0.463 20 5 DCBDRO CCOC[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000122267408 415830095 /nfs/dbraw/zinc/83/00/95/415830095.db2.gz FMPJSDJCFHMIDB-AAEUAGOBSA-N 1 0 310.354 0.873 20 5 DCBDRO CCN(C)C(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000296131318 415907674 /nfs/dbraw/zinc/90/76/74/415907674.db2.gz GBGYXVVWOWFOKQ-AWEZNQCLSA-N 1 0 324.381 0.849 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000151604290 415965486 /nfs/dbraw/zinc/96/54/86/415965486.db2.gz QUBMIYIUVLVVDU-CYBMUJFWSA-N 1 0 319.365 0.733 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000297904391 415980907 /nfs/dbraw/zinc/98/09/07/415980907.db2.gz XWKZEZROOQNLGO-UHFFFAOYSA-N 1 0 324.385 0.995 20 5 DCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ncccc2[N+](=O)[O-])C1 ZINC000301201691 416078217 /nfs/dbraw/zinc/07/82/17/416078217.db2.gz WUWUZEKJJJVNOS-NSHDSACASA-N 1 0 307.354 0.989 20 5 DCBDRO C[C@H](C[NH+](C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000344962462 416015843 /nfs/dbraw/zinc/01/58/43/416015843.db2.gz WMMNIJUBZLLETQ-MRVPVSSYSA-N 1 0 305.331 0.962 20 5 DCBDRO Cc1c(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000298599360 416017387 /nfs/dbraw/zinc/01/73/87/416017387.db2.gz LRBIKUCXWUAEBJ-VIFPVBQESA-N 1 0 308.338 0.908 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCCCC[NH3+] ZINC000357812936 416135725 /nfs/dbraw/zinc/13/57/25/416135725.db2.gz VBMQRAWLZAUBFE-SNVBAGLBSA-N 1 0 312.374 0.682 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000177774820 416151988 /nfs/dbraw/zinc/15/19/88/416151988.db2.gz GJXIXYZNWXHJFI-TZMCWYRMSA-N 1 0 309.370 0.322 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(CO)CCOCC1 ZINC000345993956 416182113 /nfs/dbraw/zinc/18/21/13/416182113.db2.gz LGZDOQUWYJNIDQ-UHFFFAOYSA-N 1 0 323.349 0.973 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000179378912 416187388 /nfs/dbraw/zinc/18/73/88/416187388.db2.gz XLGUFRSHBOVTLI-UHFFFAOYSA-N 1 0 317.367 0.418 20 5 DCBDRO C[NH+]1CCN(CCNc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347438842 416218987 /nfs/dbraw/zinc/21/89/87/416218987.db2.gz WSBCQVGOFDLOJX-UHFFFAOYSA-N 1 0 316.365 1.197 20 5 DCBDRO C[C@H]1C[N@H+](C)CCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000330662386 416226047 /nfs/dbraw/zinc/22/60/47/416226047.db2.gz DHJVDCBGBWIHCE-JSGCOSHPSA-N 1 0 309.366 0.970 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)COc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000192536120 416306616 /nfs/dbraw/zinc/30/66/16/416306616.db2.gz BRYLTNDBWIMUEL-TXEJJXNPSA-N 1 0 305.334 0.994 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000192512449 416307248 /nfs/dbraw/zinc/30/72/48/416307248.db2.gz XKKQNERELXIUNV-AOOOYVTPSA-N 1 0 307.354 0.904 20 5 DCBDRO C[NH+](C)CCOCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC000359207247 416313527 /nfs/dbraw/zinc/31/35/27/416313527.db2.gz BZCTWFQRYMFBNF-UHFFFAOYSA-N 1 0 305.338 1.528 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)NC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193318947 416315344 /nfs/dbraw/zinc/31/53/44/416315344.db2.gz ZNFRGEZHZADFPI-LURJTMIESA-N 1 0 307.303 0.368 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000248181380 416333201 /nfs/dbraw/zinc/33/32/01/416333201.db2.gz WLRGEELJDFRJAW-NWANDNLSSA-N 1 0 324.381 0.779 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000415443165 416343495 /nfs/dbraw/zinc/34/34/95/416343495.db2.gz BYOPQYMVSZWVRG-LBPRGKRZSA-N 1 0 306.322 0.695 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415610046 416349325 /nfs/dbraw/zinc/34/93/25/416349325.db2.gz WNLXKNXPNPHKGT-HNNXBMFYSA-N 1 0 318.333 0.745 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1[N+](=O)[O-] ZINC000415812922 416354651 /nfs/dbraw/zinc/35/46/51/416354651.db2.gz FKQSEWCPRMNYRK-MFKMUULPSA-N 1 0 318.333 0.662 20 5 DCBDRO C[N@@H+]1CC[C@H](CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000416496115 416372481 /nfs/dbraw/zinc/37/24/81/416372481.db2.gz NVESDHZHPGRSBB-GFCCVEGCSA-N 1 0 313.379 0.966 20 5 DCBDRO C[NH+](C)C1CCN(CCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000360893397 416415413 /nfs/dbraw/zinc/41/54/13/416415413.db2.gz DHNUFEIXTFFUHI-UHFFFAOYSA-N 1 0 309.370 0.679 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000422747926 416448291 /nfs/dbraw/zinc/44/82/91/416448291.db2.gz RENCCVHBJPEPAB-LLVKDONJSA-N 1 0 320.349 0.523 20 5 DCBDRO Cn1ccnc1[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000536068894 416535772 /nfs/dbraw/zinc/53/57/72/416535772.db2.gz PZSHCYJOAORYQQ-DGCLKSJQSA-N 1 0 320.353 0.375 20 5 DCBDRO CNc1nccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000594236377 416557846 /nfs/dbraw/zinc/55/78/46/416557846.db2.gz NDMKCWYKDNORAR-WDEREUQCSA-N 1 0 319.365 1.388 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000584052620 416494982 /nfs/dbraw/zinc/49/49/82/416494982.db2.gz VOKHHRRBCKXSEX-UHFFFAOYSA-N 1 0 309.322 0.529 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000424006686 416604416 /nfs/dbraw/zinc/60/44/16/416604416.db2.gz UPQBOKXYSGJTBP-ZDUSSCGKSA-N 1 0 315.333 0.964 20 5 DCBDRO C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C[NH3+] ZINC000424020590 416606868 /nfs/dbraw/zinc/60/68/68/416606868.db2.gz SRODKONOZISQEB-MNOVXSKESA-N 1 0 308.338 0.200 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@@H]1C ZINC000439156235 416608339 /nfs/dbraw/zinc/60/83/39/416608339.db2.gz LLUKAJSGHNWQOS-WDEREUQCSA-N 1 0 322.365 0.585 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H]2CCC[NH2+][C@@H]2C)c([N+](=O)[O-])n1 ZINC000440816901 416649397 /nfs/dbraw/zinc/64/93/97/416649397.db2.gz AZQMBRBTFXWVGE-BDAKNGLRSA-N 1 0 317.371 0.230 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000441608462 416675898 /nfs/dbraw/zinc/67/58/98/416675898.db2.gz DHVUWHBQXFFSPY-VIFPVBQESA-N 1 0 309.322 0.620 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000425527371 416714532 /nfs/dbraw/zinc/71/45/32/416714532.db2.gz MHXPOGXMYKCXEO-UZGDPCLZSA-N 1 0 310.354 0.245 20 5 DCBDRO CC(=O)NCC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517234126 416789510 /nfs/dbraw/zinc/78/95/10/416789510.db2.gz UZIRMEGLCKULHN-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000518772045 416876049 /nfs/dbraw/zinc/87/60/49/416876049.db2.gz LJFJDVXTRKHOAY-UHFFFAOYSA-N 1 0 323.397 0.691 20 5 DCBDRO O=C(N[C@H]1CCn2ccnc2C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000445218674 416891025 /nfs/dbraw/zinc/89/10/25/416891025.db2.gz WUJREQGKTWPEIO-VIFPVBQESA-N 1 0 303.278 0.637 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NCCCN1CC[NH2+]CC1 ZINC000564983454 416900441 /nfs/dbraw/zinc/90/04/41/416900441.db2.gz ZXXFXNKJFSPQSH-UHFFFAOYSA-N 1 0 307.354 0.202 20 5 DCBDRO CN(C(=O)C[NH2+][C@H](CO)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000447904264 417040385 /nfs/dbraw/zinc/04/03/85/417040385.db2.gz PKBUCXAZTSAVNH-ZIAGYGMSSA-N 1 0 323.349 0.687 20 5 DCBDRO COc1ccc(NC(=O)CCN2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430651739 417054384 /nfs/dbraw/zinc/05/43/84/417054384.db2.gz LZCBDTQEEUUWGJ-JTQLQIEISA-N 1 0 308.338 0.965 20 5 DCBDRO COc1ccc(NC(=O)[C@@H](C)N2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430627574 287348079 /nfs/dbraw/zinc/34/80/79/287348079.db2.gz MHYCQHOIUXTHOW-ZJUUUORDSA-N 1 0 308.338 0.963 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCCC[NH+]1CCCC1 ZINC000525184615 417127010 /nfs/dbraw/zinc/12/70/10/417127010.db2.gz OCFRIXCGPMSLHR-UHFFFAOYSA-N 1 0 314.367 0.754 20 5 DCBDRO CC(C)(C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)OCC1CC1 ZINC000568991380 417204064 /nfs/dbraw/zinc/20/40/64/417204064.db2.gz NIFKRKJYENIRIA-CYBMUJFWSA-N 1 0 312.370 0.947 20 5 DCBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451505822 417353326 /nfs/dbraw/zinc/35/33/26/417353326.db2.gz UUPLAWPUGCBYEX-FOUMNBMASA-N 1 0 312.370 0.801 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415296582 417359623 /nfs/dbraw/zinc/35/96/23/417359623.db2.gz JAUZNKQEVIJYPT-SECBINFHSA-N 1 0 310.285 0.493 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@H](C)[NH+](C)C)c([N+](=O)[O-])n1 ZINC000451929514 417418200 /nfs/dbraw/zinc/41/82/00/417418200.db2.gz LZNPSDMSMPNHQR-QMMMGPOBSA-N 1 0 305.360 0.040 20 5 DCBDRO Nc1c(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cccc1[N+](=O)[O-] ZINC000452373302 417477575 /nfs/dbraw/zinc/47/75/75/417477575.db2.gz VNHBLEIWJZMNHQ-NSHDSACASA-N 1 0 322.365 0.754 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578950036 417688551 /nfs/dbraw/zinc/68/85/51/417688551.db2.gz PPQQGCBFIGTJPB-KWQFWETISA-N 1 0 305.338 0.785 20 5 DCBDRO CNc1nccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000579255427 417690432 /nfs/dbraw/zinc/69/04/32/417690432.db2.gz FWHJSWMUHRRUOY-VIFPVBQESA-N 1 0 305.338 0.998 20 5 DCBDRO C[NH+](C)C(C)(C)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273481654 261170206 /nfs/dbraw/zinc/17/02/06/261170206.db2.gz MRMUNFJTNZHBMB-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO CC1=CC[N@H+](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000355334083 261331853 /nfs/dbraw/zinc/33/18/53/261331853.db2.gz LUSXBWURESVSOI-UHFFFAOYSA-N 1 0 320.349 0.525 20 5 DCBDRO C[C@@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000355743033 261362126 /nfs/dbraw/zinc/36/21/26/261362126.db2.gz NLFRAJVZYWDSPJ-NSHDSACASA-N 1 0 322.365 0.639 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370788619 262151474 /nfs/dbraw/zinc/15/14/74/262151474.db2.gz RZJKZCATIGULNF-UHFFFAOYSA-N 1 0 307.354 0.924 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418774588 262288745 /nfs/dbraw/zinc/28/87/45/262288745.db2.gz DDCFASBLWZNQNT-GHMZBOCLSA-N 1 0 320.349 0.592 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418775827 262288788 /nfs/dbraw/zinc/28/87/88/262288788.db2.gz FDVLPUKMKNCIKB-GXSJLCMTSA-N 1 0 306.322 0.332 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418779432 262289368 /nfs/dbraw/zinc/28/93/68/262289368.db2.gz JXZMWERCUPTCML-MFKMUULPSA-N 1 0 322.365 0.872 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420090177 262360206 /nfs/dbraw/zinc/36/02/06/262360206.db2.gz KYAZGMKYDHQKDS-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1[NH3+] ZINC000420374877 262372610 /nfs/dbraw/zinc/37/26/10/262372610.db2.gz OBXNFIXJDQXGIV-LERXQTSPSA-N 1 0 304.350 0.979 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423684708 262454079 /nfs/dbraw/zinc/45/40/79/262454079.db2.gz RUXOOKGKJCWQBF-GHMZBOCLSA-N 1 0 322.365 0.897 20 5 DCBDRO CO[C@@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359236094 271109489 /nfs/dbraw/zinc/10/94/89/271109489.db2.gz LWMNFTQKYKGONY-TZMCWYRMSA-N 1 0 323.349 0.938 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000419269058 271280528 /nfs/dbraw/zinc/28/05/28/271280528.db2.gz LMHAASXOOXZFOG-JQWIXIFHSA-N 1 0 320.349 0.640 20 5 DCBDRO COc1cc(CCNC(=O)[C@@H]2C[C@@H]2[NH3+])c([N+](=O)[O-])cc1OC ZINC000424062372 271396767 /nfs/dbraw/zinc/39/67/67/271396767.db2.gz KUPOHWQFFZKDLA-ZJUUUORDSA-N 1 0 309.322 0.618 20 5 DCBDRO O=C(C[NH2+][C@H](CO)[C@@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447903647 271804874 /nfs/dbraw/zinc/80/48/74/271804874.db2.gz NRPPFMRYFRDGDM-YPMHNXCESA-N 1 0 309.322 0.663 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449696506 271859257 /nfs/dbraw/zinc/85/92/57/271859257.db2.gz KCOBQIOSHZOGLR-LLVKDONJSA-N 1 0 308.338 0.237 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000449754307 271861798 /nfs/dbraw/zinc/86/17/98/271861798.db2.gz QIIPZAVFDZZARI-PHIMTYICSA-N 1 0 310.306 0.760 20 5 DCBDRO CN1C[C@@H](C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000495650193 272261531 /nfs/dbraw/zinc/26/15/31/272261531.db2.gz HAPNQTQEONJHMV-PWSUYJOCSA-N 1 0 321.337 0.927 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000564201113 288729439 /nfs/dbraw/zinc/72/94/39/288729439.db2.gz AGTBHLUYQAJENM-SNVBAGLBSA-N 1 0 323.305 0.084 20 5 DCBDRO Cc1cnc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000262289103 302349100 /nfs/dbraw/zinc/34/91/00/302349100.db2.gz MYJLFGPMGUZMRW-LLVKDONJSA-N 1 0 307.354 0.590 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302517758 533705850 /nfs/dbraw/zinc/70/58/50/533705850.db2.gz HRORRTWAEAKWBU-SNVBAGLBSA-N 1 0 306.326 0.140 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)C1 ZINC000570210458 332725890 /nfs/dbraw/zinc/72/58/90/332725890.db2.gz CPFIMIZKHIXJDE-LLVKDONJSA-N 1 0 320.349 0.605 20 5 DCBDRO C[S@@](=O)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCC1 ZINC000393698222 337093549 /nfs/dbraw/zinc/09/35/49/337093549.db2.gz VSRVQHSHBPLNCB-WIUDPPPLSA-N 1 0 316.383 0.043 20 5 DCBDRO CO[C@H](C[NH3+])CC(=O)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001578907759 1159269824 /nfs/dbraw/zinc/26/98/24/1159269824.db2.gz MLMVSLWWFOAPPN-QMMMGPOBSA-N 1 0 303.265 0.853 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000576106797 341827136 /nfs/dbraw/zinc/82/71/36/341827136.db2.gz MXCJHSNHGNIULG-UHFFFAOYSA-N 1 0 303.340 0.573 20 5 DCBDRO COc1cc(OCC(=O)N[C@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000237226735 522891502 /nfs/dbraw/zinc/89/15/02/522891502.db2.gz PQMOVVWAXCEBQU-LLVKDONJSA-N 1 0 309.322 0.836 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000267156241 522985245 /nfs/dbraw/zinc/98/52/45/522985245.db2.gz PILIUKPPHGJWHF-UHFFFAOYSA-N 1 0 317.367 0.786 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000266540611 523224872 /nfs/dbraw/zinc/22/48/72/523224872.db2.gz QQHBGMJQPFYICK-UHFFFAOYSA-N 1 0 312.326 0.394 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188392077 525346311 /nfs/dbraw/zinc/34/63/11/525346311.db2.gz LPVBLKAVGYNBMD-GHMZBOCLSA-N 1 0 320.349 0.533 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000479785281 536957268 /nfs/dbraw/zinc/95/72/68/536957268.db2.gz ZUSHPSVXRRIWEV-ZKCHVHJHSA-N 1 0 301.324 0.371 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000052093284 545655280 /nfs/dbraw/zinc/65/52/80/545655280.db2.gz BUURCTLEDOKDKX-QMMMGPOBSA-N 1 0 301.324 0.244 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000158667483 658546202 /nfs/dbraw/zinc/54/62/02/658546202.db2.gz MWIPTGBWSJFMAL-QWHCGFSZSA-N 1 0 314.363 0.795 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc(CO)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022063689 658814416 /nfs/dbraw/zinc/81/44/16/658814416.db2.gz HGDQQTZHRSKENC-LXTVHRRPSA-N 1 0 319.361 0.581 20 5 DCBDRO COc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)ccn1 ZINC001022063769 658816408 /nfs/dbraw/zinc/81/64/08/658816408.db2.gz MAGDBNJWDVDMRU-YVECIDJPSA-N 1 0 320.349 0.492 20 5 DCBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001022063389 658820175 /nfs/dbraw/zinc/82/01/75/658820175.db2.gz AFGIOAZLXZPLKP-YVECIDJPSA-N 1 0 320.349 0.492 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000189295347 659218767 /nfs/dbraw/zinc/21/87/67/659218767.db2.gz CSBNDSKELCEZCX-UHFFFAOYSA-N 1 0 315.326 0.932 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261634368 661337727 /nfs/dbraw/zinc/33/77/27/661337727.db2.gz HXXQQBOFYGKPQI-CYBMUJFWSA-N 1 0 311.363 0.969 20 5 DCBDRO COC(=O)COc1ccc(CN2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261640451 661342034 /nfs/dbraw/zinc/34/20/34/661342034.db2.gz AFSBZLUNXUTBEN-LBPRGKRZSA-N 1 0 323.349 0.927 20 5 DCBDRO CN(C)S(=O)(=O)c1ccc(N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000052093682 661583297 /nfs/dbraw/zinc/58/32/97/661583297.db2.gz HIZSTOBVSMTXHQ-SECBINFHSA-N 1 0 314.367 0.619 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C1C[NH+]([C@H]2CCOC2)C1 ZINC000896694327 662306482 /nfs/dbraw/zinc/30/64/82/662306482.db2.gz WXYRKOXXIAOPCT-AWEZNQCLSA-N 1 0 319.361 0.974 20 5 DCBDRO C[C@H](C(=O)NCC[N@H+](C)CCO)c1ccc([N+](=O)[O-])cc1F ZINC000899738188 663185148 /nfs/dbraw/zinc/18/51/48/663185148.db2.gz WJWWEOOBOZYUFE-JTQLQIEISA-N 1 0 313.329 0.878 20 5 DCBDRO Cc1nn(CN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c(C)c1[N+](=O)[O-] ZINC000902645717 663425679 /nfs/dbraw/zinc/42/56/79/663425679.db2.gz YGWKIYSEGOOQDL-UONOGXRCSA-N 1 0 323.397 0.897 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000912600589 664188869 /nfs/dbraw/zinc/18/88/69/664188869.db2.gz YNDNMQGBDVEMPV-UHFFFAOYSA-N 1 0 313.329 0.659 20 5 DCBDRO O=C(NCC1C[NH+](CCOc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660739 665271278 /nfs/dbraw/zinc/27/12/78/665271278.db2.gz QLKFFEGRLSWZBT-HUUCEWRRSA-N 1 0 319.361 0.779 20 5 DCBDRO Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)on1 ZINC000997770196 665335936 /nfs/dbraw/zinc/33/59/36/665335936.db2.gz UNFQKKIKNMFFJO-ZIAGYGMSSA-N 1 0 322.365 0.976 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000237564261 665348561 /nfs/dbraw/zinc/34/85/61/665348561.db2.gz RCPMBGHTUAUCOU-MRVPVSSYSA-N 1 0 315.351 0.323 20 5 DCBDRO Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000996428440 666790502 /nfs/dbraw/zinc/79/05/02/666790502.db2.gz CZQGQKJCUQXTKN-CHWSQXEVSA-N 1 0 308.338 0.729 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996429285 666791238 /nfs/dbraw/zinc/79/12/38/666791238.db2.gz OFXMXMXVPNAAKM-GHMZBOCLSA-N 1 0 311.367 0.284 20 5 DCBDRO Cc1cnc(OCC(=O)NC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000865358896 667321933 /nfs/dbraw/zinc/32/19/33/667321933.db2.gz QRMVURQIOWCEGO-UHFFFAOYSA-N 1 0 308.338 0.887 20 5 DCBDRO O=[N+]([O-])c1cc(CO)c(N2CCC[N@@H+](CCO)CC2)cc1F ZINC000865510619 667329158 /nfs/dbraw/zinc/32/91/58/667329158.db2.gz NOLFKIMHFYVFFF-UHFFFAOYSA-N 1 0 313.329 0.731 20 5 DCBDRO C[NH2+]C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000923290402 667496915 /nfs/dbraw/zinc/49/69/15/667496915.db2.gz MVLKTVKXAJSEIQ-CHWSQXEVSA-N 1 0 309.366 0.876 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000923382163 667521313 /nfs/dbraw/zinc/52/13/13/667521313.db2.gz RCXWGRVATZEPQB-AEGPPILISA-N 1 0 323.349 0.007 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])C1 ZINC000869778073 667681212 /nfs/dbraw/zinc/68/12/12/667681212.db2.gz WDBVKUTXDALLJB-NSHDSACASA-N 1 0 301.387 0.783 20 5 DCBDRO CC[C@@H]1COCCN1CCNC(=O)c1ccc([N+](=O)[O-])n1C ZINC000874698712 668208657 /nfs/dbraw/zinc/20/86/57/668208657.db2.gz BDXQIPSEPNUJQL-LLVKDONJSA-N 1 0 310.354 0.774 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H](CO)C2CC2)cc1 ZINC000771806904 668752485 /nfs/dbraw/zinc/75/24/85/668752485.db2.gz JOLHHHPAMSEMMP-CYBMUJFWSA-N 1 0 314.363 0.729 20 5 DCBDRO C[N@H+](CCN1CCOCC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582099 668878460 /nfs/dbraw/zinc/87/84/60/668878460.db2.gz QLPJAUUETBULQP-HNNXBMFYSA-N 1 0 309.366 0.892 20 5 DCBDRO CC[NH+]1CCC(CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000930589555 669043824 /nfs/dbraw/zinc/04/38/24/669043824.db2.gz LIQQOVJUGWJQDD-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO C[NH+](C)C[C@H](O)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000786767312 669328733 /nfs/dbraw/zinc/32/87/33/669328733.db2.gz WMAYGHSRAKFKQD-SNVBAGLBSA-N 1 0 317.367 0.333 20 5 DCBDRO CN1CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000933991455 669559067 /nfs/dbraw/zinc/55/90/67/669559067.db2.gz ASNQWFJXRXVIEI-INIZCTEOSA-N 1 0 322.409 0.807 20 5 DCBDRO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CC(C)(C)OC1=O ZINC000795661818 669906454 /nfs/dbraw/zinc/90/64/54/669906454.db2.gz PLVYEPKKZTZWCV-QWRGUYRKSA-N 1 0 312.326 0.178 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812322099 670573301 /nfs/dbraw/zinc/57/33/01/670573301.db2.gz GZPBEEQJJQXAFY-NEPJUHHUSA-N 1 0 307.354 0.510 20 5 DCBDRO CCc1n[nH]c(C(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000812323639 670574284 /nfs/dbraw/zinc/57/42/84/670574284.db2.gz VTQVAFSHSHXYFT-VHSXEESVSA-N 1 0 307.354 0.904 20 5 DCBDRO COCC[NH+]1CCC(OC(=O)Cn2ccc([N+](=O)[O-])n2)CC1 ZINC000847882240 670609197 /nfs/dbraw/zinc/60/91/97/670609197.db2.gz COQNDIVQLHCKCS-UHFFFAOYSA-N 1 0 312.326 0.445 20 5 DCBDRO CN(C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000857768449 670946505 /nfs/dbraw/zinc/94/65/05/670946505.db2.gz QZNQIQJJOXCGJN-UHFFFAOYSA-N 1 0 301.249 0.997 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC000858639713 671025465 /nfs/dbraw/zinc/02/54/65/671025465.db2.gz BVTQZKOOINBFPF-QMMMGPOBSA-N 1 0 303.340 0.571 20 5 DCBDRO O=C1CNC(=O)N1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819041481 671088818 /nfs/dbraw/zinc/08/88/18/671088818.db2.gz VBTLDMNPRFKWNS-LBPRGKRZSA-N 1 0 322.321 0.160 20 5 DCBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852414152 671126817 /nfs/dbraw/zinc/12/68/17/671126817.db2.gz JGBGEGHDYRRJLN-YNEHKIRRSA-N 1 0 310.306 0.548 20 5 DCBDRO C[C@]1(NC(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000852928823 671196792 /nfs/dbraw/zinc/19/67/92/671196792.db2.gz UCLBCXHELVKCSO-AWEZNQCLSA-N 1 0 303.322 0.813 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nc(N3CC[NH2+]CC3)no2)cc([N+](=O)[O-])c1 ZINC000823331095 671387182 /nfs/dbraw/zinc/38/71/82/671387182.db2.gz YLUBZTPWUJJZMA-UHFFFAOYSA-N 1 0 320.265 0.963 20 5 DCBDRO O=[N+]([O-])c1ccccc1OCc1nc(N2CC[NH2+]CC2)no1 ZINC000823353905 671388621 /nfs/dbraw/zinc/38/86/21/671388621.db2.gz XKNVJRBFONZPOP-UHFFFAOYSA-N 1 0 305.294 0.966 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827329845 671523051 /nfs/dbraw/zinc/52/30/51/671523051.db2.gz INCLYFXBOLLPLX-RYUDHWBXSA-N 1 0 307.354 0.652 20 5 DCBDRO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1C[C@H]1CC[NH2+]C1 ZINC000830414351 671627791 /nfs/dbraw/zinc/62/77/91/671627791.db2.gz RDPLGAKOSULHLI-QMMMGPOBSA-N 1 0 311.319 0.349 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834820777 671782708 /nfs/dbraw/zinc/78/27/08/671782708.db2.gz CPUWYGJIQNVXDA-MNOVXSKESA-N 1 0 322.365 0.897 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3COC[C@H]3O)CC2)cc1 ZINC000834898144 671785749 /nfs/dbraw/zinc/78/57/49/671785749.db2.gz ZLGHQVRKHDPGCS-HUUCEWRRSA-N 1 0 307.350 0.913 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841149185 671914946 /nfs/dbraw/zinc/91/49/46/671914946.db2.gz IRTMBRILDXUSAN-SECBINFHSA-N 1 0 324.312 0.849 20 5 DCBDRO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H](O)C[NH3+] ZINC000842475094 672013469 /nfs/dbraw/zinc/01/34/69/672013469.db2.gz IPOALCRMBTYRDT-SECBINFHSA-N 1 0 316.745 0.438 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCN2CCC(O)CC2)c1 ZINC000843076136 672059441 /nfs/dbraw/zinc/05/94/41/672059441.db2.gz QJCPLBGAFUCANR-HNNXBMFYSA-N 1 0 309.366 0.675 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1-c1noc(C[C@H]2CSCC[NH2+]2)n1 ZINC000843222279 672071668 /nfs/dbraw/zinc/07/16/68/672071668.db2.gz FSZFEFQFIMHFSK-ZETCQYMHSA-N 1 0 310.339 0.626 20 5 DCBDRO Cc1nn(CN2CCN(CC[NH+](C)C)C(=O)C2)c(C)c1[N+](=O)[O-] ZINC000844715202 672196443 /nfs/dbraw/zinc/19/64/43/672196443.db2.gz WAAYNNWYFJQMHS-UHFFFAOYSA-N 1 0 324.385 0.071 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cn[nH]n1 ZINC001020342630 693775634 /nfs/dbraw/zinc/77/56/34/693775634.db2.gz MDAFJFRXDJIKCI-XYPYZODXSA-N 1 0 316.321 0.764 20 5 DCBDRO NC(=O)C(=O)N1CC2(C1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC001072934505 694685810 /nfs/dbraw/zinc/68/58/10/694685810.db2.gz HVTONMYCJOLHLV-UHFFFAOYSA-N 1 0 318.333 0.114 20 5 DCBDRO O=C(NC1(CCO)C[NH+](CC2CCCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001570759576 1162614302 /nfs/dbraw/zinc/61/43/02/1162614302.db2.gz GWVOOAPCVPXZAQ-CHWSQXEVSA-N 1 0 311.382 0.395 20 5 DCBDRO Cn1nccc1CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001571113757 1162673889 /nfs/dbraw/zinc/67/38/89/1162673889.db2.gz OCWBHSIAOJXSFM-HBJVGIJOSA-N 1 0 321.381 0.112 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C1=CCOCC1 ZINC001691299700 1157635267 /nfs/dbraw/zinc/63/52/67/1157635267.db2.gz AUCJJPCLJAALGI-UHFFFAOYSA-N 1 0 323.353 0.223 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001304661882 1159155270 /nfs/dbraw/zinc/15/52/70/1159155270.db2.gz PHSNCWODUNSHFM-QWHCGFSZSA-N 1 0 308.338 0.594 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330761 1159972136 /nfs/dbraw/zinc/97/21/36/1159972136.db2.gz OFUWHKYETCKTRH-KCJUWKMLSA-N 1 0 305.338 0.785 20 5 DCBDRO Cn1nncc1C(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001567279461 1160293903 /nfs/dbraw/zinc/29/39/03/1160293903.db2.gz WOEKSXFRYOLTAJ-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001577096395 1164601874 /nfs/dbraw/zinc/60/18/74/1164601874.db2.gz MZSGUQPLMAKEHL-YUTCNCBUSA-N 1 0 307.350 0.612 20 5 DCBDRO CCOc1ccc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001578171506 1164943389 /nfs/dbraw/zinc/94/33/89/1164943389.db2.gz KJCAGODCBAYVEE-LLVKDONJSA-N 1 0 321.333 0.854 20 5 DCBDRO CN(C(=O)COc1ccc([N+](=O)[O-])cc1)C1(C[NH3+])CCOCC1 ZINC001578378050 1164990881 /nfs/dbraw/zinc/99/08/81/1164990881.db2.gz DMZXXQILIMZAES-UHFFFAOYSA-N 1 0 323.349 0.940 20 5 DCBDRO COC(=O)Cc1ccc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])c1 ZINC001578820387 1165129308 /nfs/dbraw/zinc/12/93/08/1165129308.db2.gz FYMQHPWXKSWBJK-UHFFFAOYSA-N 1 0 323.349 0.600 20 5 DCBDRO Cc1n[nH]c(C(=O)NC2(c3ccccc3)C[NH2+]C2)c1[N+](=O)[O-] ZINC001579514015 1165335668 /nfs/dbraw/zinc/33/56/68/1165335668.db2.gz DIWGTSXUNKDTFP-UHFFFAOYSA-N 1 0 301.306 0.855 20 5 DCBDRO O=Cc1ccc(OCC(=O)N2CC3(C2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001580857793 1165740518 /nfs/dbraw/zinc/74/05/18/1165740518.db2.gz CPFAXEXDRDHRBU-UHFFFAOYSA-N 1 0 319.317 0.608 20 5 DCBDRO C[NH+](C)CCCNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001587102212 1166502594 /nfs/dbraw/zinc/50/25/94/1166502594.db2.gz PMIFCUXVDHMSAL-UHFFFAOYSA-N 1 0 318.337 0.857 20 5 DCBDRO Cc1cc(N2CC[NH+](C)CC2)cc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001592007923 1167433819 /nfs/dbraw/zinc/43/38/19/1167433819.db2.gz UNYXJPGVMSQJPZ-UHFFFAOYSA-N 1 0 303.326 0.835 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC001611958668 1171360040 /nfs/dbraw/zinc/36/00/40/1171360040.db2.gz PLUDVWBXAMHCIY-LLVKDONJSA-N 1 0 308.386 0.909 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC001618752023 1171400290 /nfs/dbraw/zinc/40/02/90/1171400290.db2.gz DDNPDJGHKISKHI-OAHLLOKOSA-N 1 0 322.365 0.827 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+]C1(CO)CCSCC1 ZINC001646118805 1172261213 /nfs/dbraw/zinc/26/12/13/1172261213.db2.gz VEWPFBQHUZTTMU-UHFFFAOYSA-N 1 0 313.379 0.604 20 5 DCBDRO O=C(NC[C@H]1C[NH+]2CCC1CC2)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001648310489 1173071537 /nfs/dbraw/zinc/07/15/37/1173071537.db2.gz SSCLYPWUGQAMHK-NSHDSACASA-N 1 0 306.322 0.767 20 5 DCBDRO CC(C)(C(=O)N1CC([NH2+][C@@H]2CCOC2)C1)n1cc([N+](=O)[O-])cn1 ZINC001652690748 1173775374 /nfs/dbraw/zinc/77/53/74/1173775374.db2.gz MCWMEOKWGONYFY-SNVBAGLBSA-N 1 0 323.353 0.116 20 5 DCBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CN(C)CCN1C ZINC001653131263 1173781664 /nfs/dbraw/zinc/78/16/64/1173781664.db2.gz HTTXUXRMVGNYHH-CLTVBZQCSA-N 1 0 322.413 0.719 20 5 DCBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@H]1CN(C)CCN1C ZINC001653131266 1173782330 /nfs/dbraw/zinc/78/23/30/1173782330.db2.gz HTTXUXRMVGNYHH-XZNOPERXSA-N 1 0 322.413 0.719 20 5 DCBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC001654676947 1173809655 /nfs/dbraw/zinc/80/96/55/1173809655.db2.gz SLHMJNWNISXHAN-MFKMUULPSA-N 1 0 323.349 0.449 20 5 DCBDRO CC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C(=O)OC ZINC001654876090 1173812874 /nfs/dbraw/zinc/81/28/74/1173812874.db2.gz XHYPFVFVGAMJNI-LLVKDONJSA-N 1 0 314.342 0.426 20 5 DCBDRO C[C@](CO)([NH2+]C[C@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001655317964 1173817655 /nfs/dbraw/zinc/81/76/55/1173817655.db2.gz MIZSYNYHNHPXQS-UONOGXRCSA-N 1 0 310.350 0.668 20 5 DCBDRO COCC[C@@H](CO)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC001656148751 1173846083 /nfs/dbraw/zinc/84/60/83/1173846083.db2.gz HFWOLQCMLVSWNP-JTQLQIEISA-N 1 0 300.311 0.796 20 5 DCBDRO CCCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001656639496 1173871065 /nfs/dbraw/zinc/87/10/65/1173871065.db2.gz KQMUGQVAHHLRRG-GHMZBOCLSA-N 1 0 323.353 0.353 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001658942433 1173926719 /nfs/dbraw/zinc/92/67/19/1173926719.db2.gz BXEUJRWIMYTRIR-FZMZJTMJSA-N 1 0 323.349 0.517 20 5 DCBDRO C[C@@H](Cn1cncn1)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001660656132 1174030653 /nfs/dbraw/zinc/03/06/53/1174030653.db2.gz ABNJDWJDBAHEAM-ZLKJLUDKSA-N 1 0 321.337 0.259 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1ccon1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001700439762 1178615912 /nfs/dbraw/zinc/61/59/12/1178615912.db2.gz AMFAOQNPTINFTI-VXGBXAGGSA-N 1 0 310.354 0.914 20 5 DCBDRO CCc1nocc1C[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715730644 1181964147 /nfs/dbraw/zinc/96/41/47/1181964147.db2.gz HPIXMHMIMSJHQV-DGCLKSJQSA-N 1 0 310.354 0.840 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCOCC3CC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731562747 1185389891 /nfs/dbraw/zinc/38/98/91/1185389891.db2.gz HJSNFUCWJXXXGQ-RGDJUOJXSA-N 1 0 309.366 0.125 20 5 DCBDRO COCCC[NH2+]CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001732292920 1185759461 /nfs/dbraw/zinc/75/94/61/1185759461.db2.gz ULVSUHZBFHGHPY-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO CCc1nocc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732850348 1186012385 /nfs/dbraw/zinc/01/23/85/1186012385.db2.gz VIYHILALAGGBKB-NAGRZINJSA-N 1 0 308.338 0.664 20 5 DCBDRO Cc1cncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001754120291 1188749593 /nfs/dbraw/zinc/74/95/93/1188749593.db2.gz WDSJVHXBZUSLEO-GWSUEFFPSA-N 1 0 304.350 0.817 20 5 DCBDRO Cc1ccc(C[NH2+]CCN(CCO)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001754882731 1188961287 /nfs/dbraw/zinc/96/12/87/1188961287.db2.gz PEXKHWQQBUYTBM-HUUCEWRRSA-N 1 0 321.377 0.571 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC001164667608 719399298 /nfs/dbraw/zinc/39/92/98/719399298.db2.gz OGQSEZOTLRCXEX-QWRGUYRKSA-N 1 0 322.321 0.296 20 5 DCBDRO CNC(=O)CCCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001126012355 748184888 /nfs/dbraw/zinc/18/48/88/748184888.db2.gz ZQKVAOVMYAXFKB-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO [NH3+]CCc1nnn(-c2ncnc3cc(F)c([N+](=O)[O-])cc32)n1 ZINC001167791381 748313556 /nfs/dbraw/zinc/31/35/56/748313556.db2.gz LNILPLVOMIQDKM-UHFFFAOYSA-N 1 0 304.245 0.154 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1c(Cl)cncc1[N+](=O)[O-] ZINC001167899112 748471771 /nfs/dbraw/zinc/47/17/71/748471771.db2.gz HRRZBSQXCMGDGV-MRVPVSSYSA-N 1 0 302.718 0.758 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001141599630 748868735 /nfs/dbraw/zinc/86/87/35/748868735.db2.gz UKJDBBPMURKYSU-UHFFFAOYSA-N 1 0 310.354 0.875 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc2nsnc21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936291 750148619 /nfs/dbraw/zinc/14/86/19/750148619.db2.gz FLDPXGJPAQDGQI-MWLCHTKSSA-N 1 0 321.362 0.562 20 5 DCBDRO COCCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205230405 752644505 /nfs/dbraw/zinc/64/45/05/752644505.db2.gz PSIALPIVJWVECK-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO CCOC(=O)c1nc(Cl)nc(N(C)C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001166977303 757997094 /nfs/dbraw/zinc/99/70/94/757997094.db2.gz RYPKGHBYTJNEOL-UHFFFAOYSA-N 1 0 315.717 0.623 20 5 DCBDRO CCn1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001086363363 760101638 /nfs/dbraw/zinc/10/16/38/760101638.db2.gz PWCGVXYKVIGCAD-FMKGYKFTSA-N 1 0 321.381 0.553 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]CCc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363499 760102765 /nfs/dbraw/zinc/10/27/65/760102765.db2.gz XTMIEKTXEAMZHB-FPQZTECRSA-N 1 0 324.406 0.835 20 5 DCBDRO COC(=O)C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCOCC1 ZINC001168957384 760532473 /nfs/dbraw/zinc/53/24/73/760532473.db2.gz GOWUJFVJUYFNME-RYUDHWBXSA-N 1 0 300.355 0.991 20 5 DCBDRO [NH3+]CCC(=O)NCCc1cncn1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987269 760545432 /nfs/dbraw/zinc/54/54/32/760545432.db2.gz HVMJFVQBZQGQGF-NWDGAFQWSA-N 1 0 309.370 0.509 20 5 DCBDRO CN(C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1)S(C)(=O)=O ZINC001169033913 760550925 /nfs/dbraw/zinc/55/09/25/760550925.db2.gz DUACYAZZACQMQS-YPMHNXCESA-N 1 0 319.427 0.788 20 5 DCBDRO Cc1c[n+]([O-])c(NCc2ncn3c2C[NH2+]CCC3)cc1[N+](=O)[O-] ZINC001169236407 760610576 /nfs/dbraw/zinc/61/05/76/760610576.db2.gz CZJFEBFTOBXSRK-UHFFFAOYSA-N 1 0 318.337 0.839 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)n1 ZINC001169420921 760672458 /nfs/dbraw/zinc/67/24/58/760672458.db2.gz WQDIXZTXPKZZFQ-ZDUSSCGKSA-N 1 0 320.353 0.960 20 5 DCBDRO CCN(CCNC(=O)CC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC001100700683 763733382 /nfs/dbraw/zinc/73/33/82/763733382.db2.gz DOCNLYCYTNZWPG-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO O=C(CCc1cn[nH]n1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001134013914 765300626 /nfs/dbraw/zinc/30/06/26/765300626.db2.gz ICXIFCZGFHYNOY-UHFFFAOYSA-N 1 0 318.337 0.552 20 5 DCBDRO COC(=O)c1cc(C)nc(N[C@@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170777602 765717543 /nfs/dbraw/zinc/71/75/43/765717543.db2.gz IPMSUYJQJOXUIO-WCBMZHEXSA-N 1 0 310.310 0.077 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001159864326 766287753 /nfs/dbraw/zinc/28/77/53/766287753.db2.gz PYPLNCQJSGWYBT-UHFFFAOYSA-N 1 0 312.326 0.635 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1CC[N@H+](C)C1 ZINC001120943316 767319518 /nfs/dbraw/zinc/31/95/18/767319518.db2.gz YOUBZAIYQQYLDA-LLVKDONJSA-N 1 0 320.349 0.916 20 5 DCBDRO Cc1cnc(N2CCN(C(=O)CC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001093193739 768483960 /nfs/dbraw/zinc/48/39/60/768483960.db2.gz WIOUPQHYWVTCFA-UHFFFAOYSA-N 1 0 321.381 0.899 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1nc(C)ncc1[N+](=O)[O-] ZINC001155078907 770388546 /nfs/dbraw/zinc/38/85/46/770388546.db2.gz YUMIQIPJGNRAKY-UHFFFAOYSA-N 1 0 306.282 0.514 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001155159174 770417796 /nfs/dbraw/zinc/41/77/96/770417796.db2.gz IRSQPXOIJRVECL-LLVKDONJSA-N 1 0 309.326 0.289 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001155159802 770419534 /nfs/dbraw/zinc/41/95/34/770419534.db2.gz NDBBJMOBPHNJKS-LLVKDONJSA-N 1 0 309.326 0.289 20 5 DCBDRO COc1nc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155364317 770477444 /nfs/dbraw/zinc/47/74/44/770477444.db2.gz XWTJJPCQKTUIMM-NSHDSACASA-N 1 0 322.369 0.253 20 5 DCBDRO [NH3+]CCN(CCO)C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001155949393 770670536 /nfs/dbraw/zinc/67/05/36/770670536.db2.gz KBCDXFRBSQKULF-UHFFFAOYSA-N 1 0 310.688 0.946 20 5 DCBDRO [NH3+]CCN(CCO)c1nc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001155949540 770670583 /nfs/dbraw/zinc/67/05/83/770670583.db2.gz PQHYYSXUTFECKV-UHFFFAOYSA-N 1 0 311.729 0.949 20 5 DCBDRO COC(=O)C1(Nc2ncc([N+](=O)[O-])c(OC)n2)CC[NH2+]CC1 ZINC001156528402 770846597 /nfs/dbraw/zinc/84/65/97/770846597.db2.gz ACVRTAMXZOEKFE-UHFFFAOYSA-N 1 0 311.298 0.101 20 5 DCBDRO CCOC(=O)CN(CCC[NH3+])c1ncnc(OC)c1[N+](=O)[O-] ZINC001157549798 771630875 /nfs/dbraw/zinc/63/08/75/771630875.db2.gz ZMYAPHLMHFQUCQ-UHFFFAOYSA-N 1 0 313.314 0.112 20 5 DCBDRO COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001157761025 771665355 /nfs/dbraw/zinc/66/53/55/771665355.db2.gz KOZQTIXDKFOOBT-VXGBXAGGSA-N 1 0 308.338 0.351 20 5 DCBDRO O=C(NCCC[NH2+]Cc1cc2n(n1)CCCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767553 771665689 /nfs/dbraw/zinc/66/56/89/771665689.db2.gz QJSUDQBVEFZJBU-ZIAGYGMSSA-N 1 0 321.381 0.481 20 5 DCBDRO CCOC(=O)c1ccnc(N2C[C@H]([NH3+])C3(COC3)C2)c1[N+](=O)[O-] ZINC001158769536 771820391 /nfs/dbraw/zinc/82/03/91/771820391.db2.gz QTKYRTPKFUDXCP-JTQLQIEISA-N 1 0 322.321 0.330 20 5 DCBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc([N+](=O)[O-])cc[n+]2[O-])O1 ZINC001159237503 771880394 /nfs/dbraw/zinc/88/03/94/771880394.db2.gz CEWPMKVWPYYRTM-WZRBSPASSA-N 1 0 312.326 0.365 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001159683253 771944618 /nfs/dbraw/zinc/94/46/18/771944618.db2.gz RXHOFGABVBOQBB-SCZZXKLOSA-N 1 0 310.310 0.159 20 5 DCBDRO [NH3+]Cc1cc(-c2ccncc2)nn1-c1cc([N+](=O)[O-])cc[n+]1[O-] ZINC001160338326 772026648 /nfs/dbraw/zinc/02/66/48/772026648.db2.gz WZOVJJYYCDKHLQ-UHFFFAOYSA-N 1 0 312.289 0.935 20 5 DCBDRO [NH3+]C[C@]1(Nc2nc(Cl)ncc2[N+](=O)[O-])CN2CCC1CC2 ZINC001160507823 772052822 /nfs/dbraw/zinc/05/28/22/772052822.db2.gz BLIOEFCDJUWBAQ-LBPRGKRZSA-N 1 0 312.761 0.873 20 5 DCBDRO Cn1cc(NCC[C@@H]2CCOC23C[NH2+]C3)cc([N+](=O)[O-])c1=O ZINC001163088903 772459062 /nfs/dbraw/zinc/45/90/62/772459062.db2.gz IKYJYEXCLLYODA-SNVBAGLBSA-N 1 0 308.338 0.474 20 5 DCBDRO COc1nc(C)c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163250323 772490605 /nfs/dbraw/zinc/49/06/05/772490605.db2.gz NHRJFYHFEIZWPY-GXFFZTMASA-N 1 0 307.310 0.297 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ccc3nsnc3c2[N+](=O)[O-])N1 ZINC001163250035 772490957 /nfs/dbraw/zinc/49/09/57/772490957.db2.gz MHPPVTXDOAINAS-QPUJVOFHSA-N 1 0 320.334 0.590 20 5 DCBDRO NC(=O)c1ccnc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001163316984 772505374 /nfs/dbraw/zinc/50/53/74/772505374.db2.gz RRGTZBJBKKVARB-XPTSAGLGSA-N 1 0 321.337 0.412 20 5 DCBDRO O=[N+]([O-])c1cnc(N2C[C@@H](F)C[C@H](CO)C2)nc1C1C[NH2+]C1 ZINC001164048260 772608971 /nfs/dbraw/zinc/60/89/71/772608971.db2.gz MYBBVIVRGPZOBS-WPRPVWTQSA-N 1 0 311.317 0.228 20 5 DCBDRO CN(c1ccnc2c1cccc2[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164297103 772640449 /nfs/dbraw/zinc/64/04/49/772640449.db2.gz KFHDJMKILTVBPO-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO COc1nc(N2CC(=O)NC3(CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC001165252692 772711413 /nfs/dbraw/zinc/71/14/13/772711413.db2.gz MOAHXHJYAHTJFK-UHFFFAOYSA-N 1 0 321.337 0.057 20 5 DCBDRO Cc1ncc2n1CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)C2 ZINC001165387432 772730973 /nfs/dbraw/zinc/73/09/73/772730973.db2.gz NTGPZFLWTLMPMS-UHFFFAOYSA-N 1 0 315.337 0.597 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCCCC23COC3)nc1C1C[NH2+]C1 ZINC001166695333 772842769 /nfs/dbraw/zinc/84/27/69/772842769.db2.gz BZJZRRNSOJGAEV-UHFFFAOYSA-N 1 0 305.338 0.831 20 5 DCBDRO COc1nc(N2CC[C@@H]([NH3+])C(F)(F)C2)nc(OC)c1[N+](=O)[O-] ZINC001166960041 772889800 /nfs/dbraw/zinc/88/98/00/772889800.db2.gz GLVAYNVWPAWLFE-ZCFIWIBFSA-N 1 0 319.268 0.575 20 5 DCBDRO Cc1nccnc1[C@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001197543529 773764281 /nfs/dbraw/zinc/76/42/81/773764281.db2.gz QXQBRMBQRNNTBK-JQWIXIFHSA-N 1 0 306.326 0.601 20 5 DCBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646812 775507953 /nfs/dbraw/zinc/50/79/53/775507953.db2.gz NITBFEWXAGXIMJ-LLVKDONJSA-N 1 0 310.358 0.575 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=O)ncc1C(F)(F)F ZINC001225579617 775697110 /nfs/dbraw/zinc/69/71/10/775697110.db2.gz NLGDQHHGNJBHOG-SSDOTTSWSA-O 1 0 324.279 0.564 20 5 DCBDRO Cc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc(=O)n1CC1CC1 ZINC001225871108 775733833 /nfs/dbraw/zinc/73/38/33/775733833.db2.gz ZCKPKLUHDUKYTK-CQSZACIVSA-N 1 0 323.413 0.929 20 5 DCBDRO COc1cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ncc1[N+](=O)[O-] ZINC001226581302 775841623 /nfs/dbraw/zinc/84/16/23/775841623.db2.gz NNCOHDVWVJMHEV-SECBINFHSA-N 1 0 314.318 0.361 20 5 DCBDRO CC(C)COCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001227258078 775952038 /nfs/dbraw/zinc/95/20/38/775952038.db2.gz JEIZOVDVTOEZTG-ZIAGYGMSSA-N 1 0 313.398 0.905 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2c(=O)cc[nH]c2c1 ZINC001227885694 776020201 /nfs/dbraw/zinc/02/02/01/776020201.db2.gz CADXXZBQNJBEQS-LLVKDONJSA-O 1 0 305.354 0.891 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1n[nH]c(-c2ccncc2)n1 ZINC001228697660 776114759 /nfs/dbraw/zinc/11/47/59/776114759.db2.gz NGURXXSYKLCSLS-LLVKDONJSA-N 1 0 306.346 0.229 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccccc1-c1nn[nH]n1 ZINC001229952308 776239392 /nfs/dbraw/zinc/23/93/92/776239392.db2.gz AMHIHOUYIDNMFN-SNVBAGLBSA-N 1 0 306.346 0.229 20 5 DCBDRO Cn1cnc(C(=O)NCC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001266271874 939038471 /nfs/dbraw/zinc/03/84/71/939038471.db2.gz NHFSTWRRZYUJSY-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO COC[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001462300123 1013060071 /nfs/dbraw/zinc/06/00/71/1013060071.db2.gz XURWRYNWNFWEOM-LBPRGKRZSA-N 1 0 310.354 0.556 20 5 DCBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C1C[NH2+]C1)S(C)(=O)=O ZINC001254559614 946409700 /nfs/dbraw/zinc/40/97/00/946409700.db2.gz LHVAEGMRNVUYCT-JTQLQIEISA-N 1 0 313.379 0.759 20 5 DCBDRO CCc1cnc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001322505578 946702952 /nfs/dbraw/zinc/70/29/52/946702952.db2.gz NECMTCZESAUDJC-VXGBXAGGSA-N 1 0 310.354 0.840 20 5 DCBDRO [NH3+]CC[C@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001326339854 948134366 /nfs/dbraw/zinc/13/43/66/948134366.db2.gz RQZGMCJFMYHNMB-LLVKDONJSA-N 1 0 308.338 0.486 20 5 DCBDRO COC[C@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]CCO1 ZINC001330592839 950532747 /nfs/dbraw/zinc/53/27/47/950532747.db2.gz HRUFHKHMHYYBNK-HNNXBMFYSA-N 1 0 321.333 0.442 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001337113848 952813400 /nfs/dbraw/zinc/81/34/00/952813400.db2.gz ULBBJDJVSSSZGA-MRVPVSSYSA-N 1 0 302.281 0.908 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)C1 ZINC001340068489 953142389 /nfs/dbraw/zinc/14/23/89/953142389.db2.gz WIZSPLSAUGHHAY-VIFPVBQESA-N 1 0 324.312 0.801 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001342295607 953282501 /nfs/dbraw/zinc/28/25/01/953282501.db2.gz MHZFOUNXYARIAR-LBPRGKRZSA-N 1 0 323.349 0.593 20 5 DCBDRO CN(CC(=O)N[C@@H]1C[NH2+]CC12CC2)c1ccccc1[N+](=O)[O-] ZINC001342866875 953312155 /nfs/dbraw/zinc/31/21/55/953312155.db2.gz ZNTAAHXOYPXURD-CYBMUJFWSA-N 1 0 304.350 0.899 20 5 DCBDRO CN1CC[NH2+]C[C@H]1C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001343322941 953337572 /nfs/dbraw/zinc/33/75/72/953337572.db2.gz ONYDUADAAVXPFN-ZDUSSCGKSA-N 1 0 306.366 0.850 20 5 DCBDRO O=[N+]([O-])Cc1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1CC1 ZINC001345150123 953601145 /nfs/dbraw/zinc/60/11/45/953601145.db2.gz BLAPXYZJDBHAMJ-UHFFFAOYSA-N 1 0 320.397 0.997 20 5 DCBDRO COC[C@@]1(c2nc(-c3c([N+](=O)[O-])nc(C)n3C)no2)CC[NH2+]C1 ZINC001345669607 953699267 /nfs/dbraw/zinc/69/92/67/953699267.db2.gz LSMBDGDKWIPPDQ-CYBMUJFWSA-N 1 0 322.325 0.564 20 5 DCBDRO CC[N@@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)C[C@H]1C ZINC001346935469 953984662 /nfs/dbraw/zinc/98/46/62/953984662.db2.gz JLQMUAJTEKLAML-LLVKDONJSA-N 1 0 308.386 0.995 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001347174653 954039661 /nfs/dbraw/zinc/03/96/61/954039661.db2.gz GJTMJGNSQTTZOY-HNNXBMFYSA-N 1 0 307.350 0.662 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001348747938 954453812 /nfs/dbraw/zinc/45/38/12/954453812.db2.gz PSOMZRMQRJEXSK-SRVKXCTJSA-N 1 0 320.349 0.213 20 5 DCBDRO C[C@H](NC(=O)C(=O)N(C)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC001350331148 955057790 /nfs/dbraw/zinc/05/77/90/955057790.db2.gz FGZVUIBYBWNEQS-JTQLQIEISA-N 1 0 308.338 0.579 20 5 DCBDRO C[C@H](CNC(=O)[C@@H]1C[NH2+]CCN1C)c1ccccc1[N+](=O)[O-] ZINC001355316825 956633177 /nfs/dbraw/zinc/63/31/77/956633177.db2.gz SFBGVSFTCKTQFG-RISCZKNCSA-N 1 0 306.366 0.718 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001357257622 957239908 /nfs/dbraw/zinc/23/99/08/957239908.db2.gz BBZYFTKXWJYTKU-RDBSUJKOSA-N 1 0 305.334 0.945 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@@H]1C[N@H+](C)CCN1C ZINC001293745161 957424003 /nfs/dbraw/zinc/42/40/03/957424003.db2.gz OOIPAQFDJVBBHJ-MFKMUULPSA-N 1 0 321.381 0.541 20 5 DCBDRO C[C@H]1C[N@H+](CCO)CCN1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001307836073 960160296 /nfs/dbraw/zinc/16/02/96/960160296.db2.gz CHEQCXQHFSURLY-WFASDCNBSA-N 1 0 309.366 0.627 20 5 DCBDRO COC(=O)[C@]1(O)CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC001308032679 960165587 /nfs/dbraw/zinc/16/55/87/960165587.db2.gz HIFGVGVTHPQJSR-AWEZNQCLSA-N 1 0 310.306 0.713 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001528679761 1014381968 /nfs/dbraw/zinc/38/19/68/1014381968.db2.gz IVOBNTFDZGYCOT-HNNXBMFYSA-N 1 0 323.349 0.742 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CCC([NH+]3CCN(C)CC3)CC2)n1 ZINC001472857461 1016861770 /nfs/dbraw/zinc/86/17/70/1016861770.db2.gz JOHPFFHWFJPQLT-UHFFFAOYSA-N 1 0 308.386 0.545 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC001473390246 1016927064 /nfs/dbraw/zinc/92/70/64/1016927064.db2.gz DHXNYBAZUVZGGT-GVXVVHGQSA-N 1 0 307.354 0.686 20 5 DCBDRO C[N@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)CCOCCO ZINC001455177469 1009554024 /nfs/dbraw/zinc/55/40/24/1009554024.db2.gz LKAKNEZXTZTBJP-UHFFFAOYSA-N 1 0 317.367 0.327 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001558294307 1012337448 /nfs/dbraw/zinc/33/74/48/1012337448.db2.gz UYNLIZSWNMSBOV-GFCCVEGCSA-N 1 0 309.370 0.900 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC001558538314 1012364512 /nfs/dbraw/zinc/36/45/12/1012364512.db2.gz GPRKWQPASPNOHF-LLVKDONJSA-N 1 0 323.353 0.609 20 5 DCBDRO Nc1nc(N2CC[NH2+][C@@H](c3ccc(O)cc3)C2)ncc1[N+](=O)[O-] ZINC001559270195 1012413426 /nfs/dbraw/zinc/41/34/26/1012413426.db2.gz HDDQGPZBKMUVIB-LLVKDONJSA-N 1 0 316.321 0.824 20 5 DCBDRO O=[N+]([O-])c1c(N2CC([NH2+][C@@H]3CCOC3)C2)nc2sccn21 ZINC001559290624 1012415716 /nfs/dbraw/zinc/41/57/16/1012415716.db2.gz VZKBFMFYYYUCMD-MRVPVSSYSA-N 1 0 309.351 0.871 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H](CO)[C@H]2CO)c1 ZINC001560037610 1012441355 /nfs/dbraw/zinc/44/13/55/1012441355.db2.gz PMFSRQYAWDTITR-NWANDNLSSA-N 1 0 310.350 0.693 20 5 DCBDRO CC(C)(O)C[C@H](O)C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001460622242 1012946240 /nfs/dbraw/zinc/94/62/40/1012946240.db2.gz USLREGBSDULJQP-DZGCQCFKSA-N 1 0 312.366 0.914 20 5 DCBDRO C[NH2+]CCN(C)C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001521511756 1017391557 /nfs/dbraw/zinc/39/15/57/1017391557.db2.gz CIDLTWWSFSXXMP-CYBMUJFWSA-N 1 0 306.322 0.766 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1nccnc1C ZINC001479843433 1017868482 /nfs/dbraw/zinc/86/84/82/1017868482.db2.gz DEQWYWMGNOJGEK-TZMCWYRMSA-N 1 0 321.381 0.778 20 5 DCBDRO CC(C)OCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001480391587 1018491444 /nfs/dbraw/zinc/49/14/44/1018491444.db2.gz SDYFTIHZXJVGAM-RGDJUOJXSA-N 1 0 311.382 0.513 20 5 DCBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000318551377 529865487 /nfs/dbraw/zinc/86/54/87/529865487.db2.gz YDUZOWFXGNTBIR-UHFFFAOYSA-N 1 0 307.354 0.986 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272621567 210024648 /nfs/dbraw/zinc/02/46/48/210024648.db2.gz LVYHSWNJCWETHO-MNOVXSKESA-N 1 0 307.354 0.803 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000331734525 234061479 /nfs/dbraw/zinc/06/14/79/234061479.db2.gz UBAYVVXUGWXOSS-UKRRQHHQSA-N 1 0 323.397 0.712 20 5 DCBDRO Cc1c(CC(=O)N2CCC(O)(C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000566207520 291282323 /nfs/dbraw/zinc/28/23/23/291282323.db2.gz GGUZJVANRYIVAL-UHFFFAOYSA-N 1 0 307.350 0.758 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000566561194 291312602 /nfs/dbraw/zinc/31/26/02/291312602.db2.gz UMVNEQUXHOVGHL-MFKMUULPSA-N 1 0 323.353 0.595 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+][C@H](C)C1 ZINC000420329952 240024044 /nfs/dbraw/zinc/02/40/44/240024044.db2.gz ASSQKWXTPHIKNX-SNVBAGLBSA-N 1 0 308.338 0.836 20 5 DCBDRO CS[C@@H]1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000271769968 209198925 /nfs/dbraw/zinc/19/89/25/209198925.db2.gz IMMOUIITIGCPAA-WCBMZHEXSA-N 1 0 313.383 0.446 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264710214 204094258 /nfs/dbraw/zinc/09/42/58/204094258.db2.gz OKBIDPDVQQSKPO-ZDUSSCGKSA-N 1 0 306.366 0.499 20 5 DCBDRO CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282512912 217053119 /nfs/dbraw/zinc/05/31/19/217053119.db2.gz SFLXYRPRKPOOIT-SNVBAGLBSA-N 1 0 308.338 0.913 20 5 DCBDRO Cc1c(C(=O)N2CCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000274715678 211863948 /nfs/dbraw/zinc/86/39/48/211863948.db2.gz ALVAUFZBKHCAJH-SNVBAGLBSA-N 1 0 324.293 0.611 20 5 DCBDRO O=C([C@H]1CC[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000238006951 284565975 /nfs/dbraw/zinc/56/59/75/284565975.db2.gz WFGPFAMQAIJAKR-LBPRGKRZSA-N 1 0 304.350 0.853 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1COCCO1 ZINC000562988994 288613592 /nfs/dbraw/zinc/61/35/92/288613592.db2.gz VGYCNXHRTMDZAY-NEPJUHHUSA-N 1 0 312.322 0.340 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@@H]2C1 ZINC000339385213 253076390 /nfs/dbraw/zinc/07/63/90/253076390.db2.gz NKFXJIPSDLQUPQ-DGCLKSJQSA-N 1 0 309.370 0.623 20 5 DCBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])n1C)N1CC[NH+](C)CC1 ZINC000339334012 253065907 /nfs/dbraw/zinc/06/59/07/253065907.db2.gz DCQFQVXRLDSHIF-LLVKDONJSA-N 1 0 309.370 0.299 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000339765164 253140243 /nfs/dbraw/zinc/14/02/43/253140243.db2.gz WEQILAUYVPDFPJ-KGLIPLIRSA-N 1 0 310.354 0.701 20 5 DCBDRO COc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000272990500 210371976 /nfs/dbraw/zinc/37/19/76/210371976.db2.gz WCYUVGPFVPUZKL-SECBINFHSA-N 1 0 324.337 0.608 20 5 DCBDRO Cc1nn(C)c(N(C)CCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000341045561 253338156 /nfs/dbraw/zinc/33/81/56/253338156.db2.gz MUKAMHRXQUYPCC-UHFFFAOYSA-N 1 0 312.418 0.956 20 5 DCBDRO [NH3+]CCN(CCO)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342414022 253492906 /nfs/dbraw/zinc/49/29/06/253492906.db2.gz KFOFRLALHPMHMX-UHFFFAOYSA-N 1 0 316.745 0.440 20 5 DCBDRO C[C@]1([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO[C@H]1C1CC1 ZINC000344333141 253770037 /nfs/dbraw/zinc/77/00/37/253770037.db2.gz FNRAHZYLQHYHKS-IHRRRGAJSA-N 1 0 310.354 0.699 20 5 DCBDRO [NH3+][C@H]1CCc2nc(NC(=O)Cn3ccc([N+](=O)[O-])n3)sc2C1 ZINC000288844757 220470117 /nfs/dbraw/zinc/47/01/17/220470117.db2.gz WHWCCQLIDLWYLW-ZETCQYMHSA-N 1 0 322.350 0.703 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000347625477 254173446 /nfs/dbraw/zinc/17/34/46/254173446.db2.gz QNJXENJCEUWTDN-IUCAKERBSA-N 1 0 310.310 0.256 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348522770 254241351 /nfs/dbraw/zinc/24/13/51/254241351.db2.gz ZMUWJSJUBXIJDZ-VWYCJHECSA-N 1 0 320.296 0.902 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000348541288 254243618 /nfs/dbraw/zinc/24/36/18/254243618.db2.gz UFJUCRRXDXOBBE-OAHLLOKOSA-N 1 0 318.333 0.916 20 5 DCBDRO C[NH+](C)CCNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000349077603 254272035 /nfs/dbraw/zinc/27/20/35/254272035.db2.gz FTASWXZSJGAFAC-SNVBAGLBSA-N 1 0 324.337 0.470 20 5 DCBDRO C[C@@H](CO)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000351522202 254342974 /nfs/dbraw/zinc/34/29/74/254342974.db2.gz JFIPEOXAWTVVGY-FZMZJTMJSA-N 1 0 312.370 0.778 20 5 DCBDRO C[C@@H](NC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000351536015 254344254 /nfs/dbraw/zinc/34/42/54/254344254.db2.gz GDALWCGADIGCNA-ZWNOBZJWSA-N 1 0 320.349 0.640 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000133151744 533144526 /nfs/dbraw/zinc/14/45/26/533144526.db2.gz WULSFTWVOIZCSV-SNVBAGLBSA-N 1 0 315.351 0.619 20 5 DCBDRO NC(=O)C1(O)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000284396832 131076877 /nfs/dbraw/zinc/07/68/77/131076877.db2.gz WCEABZOCCZWVIA-UHFFFAOYSA-N 1 0 309.322 0.286 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000036265658 395722943 /nfs/dbraw/zinc/72/29/43/395722943.db2.gz LCEJFSIEXONTTD-CMPLNLGQSA-N 1 0 311.363 0.886 20 5 DCBDRO CCc1nn(C)c(NC[C@@H](C)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000094154128 395739910 /nfs/dbraw/zinc/73/99/10/395739910.db2.gz SXXOGGRSXBGMKH-LLVKDONJSA-N 1 0 310.402 0.939 20 5 DCBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000193586922 395773230 /nfs/dbraw/zinc/77/32/30/395773230.db2.gz ABPJABGSZBUFGF-MJVIPROJSA-N 1 0 323.349 0.449 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209474141 395835542 /nfs/dbraw/zinc/83/55/42/395835542.db2.gz PLSLNQPFDJLUMN-PWSUYJOCSA-N 1 0 311.363 0.886 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000114562422 395835867 /nfs/dbraw/zinc/83/58/67/395835867.db2.gz VDEOPQANLXUGEC-UHFFFAOYSA-N 1 0 320.393 0.843 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000108784131 395793514 /nfs/dbraw/zinc/79/35/14/395793514.db2.gz KQNSMQUZIIVAFK-NSHDSACASA-N 1 0 307.354 0.782 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[C@H]1CCC[NH2+]C1 ZINC000238142860 395922199 /nfs/dbraw/zinc/92/21/99/395922199.db2.gz ORYZJTJJQICTDX-LLVKDONJSA-N 1 0 308.338 0.262 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000154769696 396042467 /nfs/dbraw/zinc/04/24/67/396042467.db2.gz PVZOUQNGVDWBQB-UHFFFAOYSA-N 1 0 308.338 0.862 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277000105 396043187 /nfs/dbraw/zinc/04/31/87/396043187.db2.gz CXSFFEQPOUSPKM-UHFFFAOYSA-N 1 0 311.338 0.647 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000068178510 396047841 /nfs/dbraw/zinc/04/78/41/396047841.db2.gz IOCOQWSDXUYLOL-UHFFFAOYSA-N 1 0 309.370 0.900 20 5 DCBDRO COC(=O)COc1ccc(CN2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000261982427 396086585 /nfs/dbraw/zinc/08/65/85/396086585.db2.gz RNOONXXHSZHNJG-LLVKDONJSA-N 1 0 323.349 0.940 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c(C)c1[N+](=O)[O-] ZINC000262053880 396094361 /nfs/dbraw/zinc/09/43/61/396094361.db2.gz VEIUNQJFGJDGBT-JOYOIKCWSA-N 1 0 309.370 0.994 20 5 DCBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262467865 396143445 /nfs/dbraw/zinc/14/34/45/396143445.db2.gz IZDBBNVELDDCSJ-LBPRGKRZSA-N 1 0 304.350 0.715 20 5 DCBDRO O=C1CCCN1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176231699 396152401 /nfs/dbraw/zinc/15/24/01/396152401.db2.gz PCCLGXQPYFRAKQ-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000178624417 396202163 /nfs/dbraw/zinc/20/21/63/396202163.db2.gz WKYOQEVFUVEOAA-ZJUUUORDSA-N 1 0 308.338 0.567 20 5 DCBDRO COCC[N@@H+]1CCCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000264298407 396268984 /nfs/dbraw/zinc/26/89/84/396268984.db2.gz YNHRNNLHSSAEKP-UHFFFAOYSA-N 1 0 311.342 0.421 20 5 DCBDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNc1c([N+](=O)[O-])ncn1C ZINC000263689222 396222905 /nfs/dbraw/zinc/22/29/05/396222905.db2.gz JQEKCYFECBVWHV-NSHDSACASA-N 1 0 324.385 0.683 20 5 DCBDRO Cc1ccc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264643035 396298778 /nfs/dbraw/zinc/29/87/78/396298778.db2.gz FHTLWBSARCDEDL-ZDUSSCGKSA-N 1 0 306.366 0.879 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000269068680 396383614 /nfs/dbraw/zinc/38/36/14/396383614.db2.gz YFMSUKLPXZNBIG-QWHCGFSZSA-N 1 0 322.369 0.717 20 5 DCBDRO CO[C@@H](C)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000594716220 396500320 /nfs/dbraw/zinc/50/03/20/396500320.db2.gz MIHPKLUNZZWIRF-JTQLQIEISA-N 1 0 302.352 0.993 20 5 DCBDRO C[N@H+](CCCO)C1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000270404319 396465556 /nfs/dbraw/zinc/46/55/56/396465556.db2.gz WJDYQTCXTWRAIW-UHFFFAOYSA-N 1 0 310.354 0.842 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000594875973 396533433 /nfs/dbraw/zinc/53/34/33/396533433.db2.gz UOYIEMLKCYHSCN-BXKDBHETSA-N 1 0 308.313 0.478 20 5 DCBDRO Cc1cc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)cc1[N+](=O)[O-] ZINC000595110968 396550013 /nfs/dbraw/zinc/55/00/13/396550013.db2.gz CLZUUCUYOBJMEO-IWIIMEHWSA-N 1 0 311.363 0.708 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC2([NH3+])CCCC2)c([N+](=O)[O-])n1 ZINC000595119873 396552078 /nfs/dbraw/zinc/55/20/78/396552078.db2.gz KWIKKGHDXCLKBT-UHFFFAOYSA-N 1 0 317.371 0.361 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3n[nH]cc3[N+](=O)[O-])[C@H]2C1 ZINC000293944502 396643441 /nfs/dbraw/zinc/64/34/41/396643441.db2.gz RERHENAXZOTVLQ-WDEREUQCSA-N 1 0 309.326 0.253 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000294011992 396648527 /nfs/dbraw/zinc/64/85/27/396648527.db2.gz YFYQVALOZKHPOE-CQSZACIVSA-N 1 0 307.354 0.805 20 5 DCBDRO CCc1nocc1C[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293456290 396610840 /nfs/dbraw/zinc/61/08/40/396610840.db2.gz PVCKCBOUROWKEQ-GFCCVEGCSA-N 1 0 309.326 0.835 20 5 DCBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC000595506439 396619260 /nfs/dbraw/zinc/61/92/60/396619260.db2.gz CHEYJHDBYCGYDQ-LSDHHAIUSA-N 1 0 323.397 0.570 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000561239371 396636407 /nfs/dbraw/zinc/63/64/07/396636407.db2.gz IHZBFRFXIHKQQL-BXKDBHETSA-N 1 0 306.322 0.017 20 5 DCBDRO O=C1CCCN1C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000595830169 396668162 /nfs/dbraw/zinc/66/81/62/396668162.db2.gz CUAXIUCFJCFMOD-GFCCVEGCSA-N 1 0 307.354 0.736 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC1(CO)CC[NH2+]CC1 ZINC000595902250 396679708 /nfs/dbraw/zinc/67/97/08/396679708.db2.gz PJEOTYPWVHFGTQ-UHFFFAOYSA-N 1 0 322.365 0.546 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588867044 396697257 /nfs/dbraw/zinc/69/72/57/396697257.db2.gz VPJIMPIACYGVEV-NSHDSACASA-N 1 0 320.349 0.657 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000595983003 396702790 /nfs/dbraw/zinc/70/27/90/396702790.db2.gz MKFFRJGQLRXRMG-JTQLQIEISA-N 1 0 323.353 0.118 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000595982865 396702828 /nfs/dbraw/zinc/70/28/28/396702828.db2.gz IHSSINMFKUCGIL-SNVBAGLBSA-N 1 0 308.338 0.357 20 5 DCBDRO C[C@@H](NC(=O)c1cn(CC[NH3+])nn1)c1cccc([N+](=O)[O-])c1 ZINC000316190956 396794208 /nfs/dbraw/zinc/79/42/08/396794208.db2.gz XWCWRLMWCZFVSC-SECBINFHSA-N 1 0 304.310 0.636 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000304287185 396729072 /nfs/dbraw/zinc/72/90/72/396729072.db2.gz BBGXLUFHBKKQLX-HIFRSBDPSA-N 1 0 323.397 0.570 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000305122072 396737863 /nfs/dbraw/zinc/73/78/63/396737863.db2.gz JXGYJILDSNDRPU-CYBMUJFWSA-N 1 0 310.354 0.797 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[C@@H]1O ZINC000590554685 396796915 /nfs/dbraw/zinc/79/69/15/396796915.db2.gz ZQVJXBWEXISJNK-RYUDHWBXSA-N 1 0 313.741 0.995 20 5 DCBDRO COc1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000316823218 396797344 /nfs/dbraw/zinc/79/73/44/396797344.db2.gz YKEAVUFOAZFRNB-NSHDSACASA-N 1 0 308.338 0.318 20 5 DCBDRO Cn1cc(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])cn1 ZINC000563647118 396765840 /nfs/dbraw/zinc/76/58/40/396765840.db2.gz AKFCVZBIXQEYAU-GFCCVEGCSA-N 1 0 306.322 0.858 20 5 DCBDRO C[C@H](CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+](C)C ZINC000596428069 396771674 /nfs/dbraw/zinc/77/16/74/396771674.db2.gz DLXMKPSLVDHLEI-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC3(CCOC3)CC2)c1 ZINC000611178204 396830659 /nfs/dbraw/zinc/83/06/59/396830659.db2.gz RMYZDOODUMNWPE-ZDUSSCGKSA-N 1 0 310.354 0.655 20 5 DCBDRO CCC1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000320128995 396812678 /nfs/dbraw/zinc/81/26/78/396812678.db2.gz JBMHJKKAJRJLFI-ZDUSSCGKSA-N 1 0 312.370 0.949 20 5 DCBDRO CC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000611088506 396814564 /nfs/dbraw/zinc/81/45/64/396814564.db2.gz ZZGMXHJUEMPLGR-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591304632 396897530 /nfs/dbraw/zinc/89/75/30/396897530.db2.gz LOVCJNKDTXCIMF-ZWNOBZJWSA-N 1 0 318.333 0.744 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000591374442 396911982 /nfs/dbraw/zinc/91/19/82/396911982.db2.gz GQYNOQSHYMUNKE-GHMZBOCLSA-N 1 0 320.349 0.420 20 5 DCBDRO CN(CCOCC[NH3+])[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000600734238 396933052 /nfs/dbraw/zinc/93/30/52/396933052.db2.gz GUFADUDDCOFTQB-AWEZNQCLSA-N 1 0 322.365 0.607 20 5 DCBDRO O=C(CC[NH2+]CCN1CC[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000600757145 396939314 /nfs/dbraw/zinc/93/93/14/396939314.db2.gz JJLFJCIPSRHBPM-GFCCVEGCSA-N 1 0 322.365 0.580 20 5 DCBDRO CCOc1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600809068 396948329 /nfs/dbraw/zinc/94/83/29/396948329.db2.gz RLQXXRDZDZUGPD-LBPRGKRZSA-N 1 0 323.349 0.790 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000618479975 396984000 /nfs/dbraw/zinc/98/40/00/396984000.db2.gz LIRMTDGKCIVJKR-UHFFFAOYSA-N 1 0 307.354 0.933 20 5 DCBDRO COC1CC[NH+](CCNC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000618382448 396974352 /nfs/dbraw/zinc/97/43/52/396974352.db2.gz QHHRBNJYCWOZGF-UHFFFAOYSA-N 1 0 324.337 0.536 20 5 DCBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000591686176 396976972 /nfs/dbraw/zinc/97/69/72/396976972.db2.gz OGFBHPRKWAKTEG-YUMQZZPRSA-N 1 0 311.269 0.753 20 5 DCBDRO COc1cccc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1[N+](=O)[O-] ZINC000592308908 397149648 /nfs/dbraw/zinc/14/96/48/397149648.db2.gz OUQDJLYBBYHFAM-SKDRFNHKSA-N 1 0 309.322 0.792 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000592328496 397154603 /nfs/dbraw/zinc/15/46/03/397154603.db2.gz LVWRCVFKSWIFSV-UHFFFAOYSA-N 1 0 301.306 0.862 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)C(F)(F)F ZINC000592431364 397175156 /nfs/dbraw/zinc/17/51/56/397175156.db2.gz XPXKADYIAFWSGR-CNUIFLNQSA-N 1 0 312.248 0.054 20 5 DCBDRO CN(C)C(=O)CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000598185413 397186064 /nfs/dbraw/zinc/18/60/64/397186064.db2.gz JPRSGOXPVIDWMO-UHFFFAOYSA-N 1 0 322.365 0.687 20 5 DCBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598263122 397200382 /nfs/dbraw/zinc/20/03/82/397200382.db2.gz PPCUOLJJUMPVDQ-NSHDSACASA-N 1 0 310.358 0.423 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000592547225 397207945 /nfs/dbraw/zinc/20/79/45/397207945.db2.gz UAATXJNKEYGWAP-RKDXNWHRSA-N 1 0 310.310 0.256 20 5 DCBDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1OC ZINC000574078094 397233895 /nfs/dbraw/zinc/23/38/95/397233895.db2.gz PNIMDCRRXOKLMF-JTQLQIEISA-N 1 0 311.294 0.110 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598660966 397269977 /nfs/dbraw/zinc/26/99/77/397269977.db2.gz AIIPQPVXFLAAFS-SNVBAGLBSA-N 1 0 321.337 0.537 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598663198 397270433 /nfs/dbraw/zinc/27/04/33/397270433.db2.gz UXVPNWTVJMQPCQ-SECBINFHSA-N 1 0 307.310 0.276 20 5 DCBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000598669620 397272683 /nfs/dbraw/zinc/27/26/83/397272683.db2.gz KBXTVLVKMSISGS-HZMBPMFUSA-N 1 0 306.322 0.096 20 5 DCBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000601973135 397278843 /nfs/dbraw/zinc/27/88/43/397278843.db2.gz CQYHXJAHHFWZLC-OKILXGFUSA-N 1 0 307.354 0.639 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000385079895 397283997 /nfs/dbraw/zinc/28/39/97/397283997.db2.gz WPLSGCJBFJIHQU-UHFFFAOYSA-N 1 0 315.351 0.714 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000598587430 397252030 /nfs/dbraw/zinc/25/20/30/397252030.db2.gz AEAIOZZXEFJTMX-LLVKDONJSA-N 1 0 322.369 0.728 20 5 DCBDRO [NH3+]CCCOCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000599102257 397336748 /nfs/dbraw/zinc/33/67/48/397336748.db2.gz COLOCKLUMCHWKF-UHFFFAOYSA-N 1 0 303.340 0.239 20 5 DCBDRO Cc1nc(N2CC(C[NH+]3CCN(C)CC3)C2)ccc1[N+](=O)[O-] ZINC000599107143 397339227 /nfs/dbraw/zinc/33/92/27/397339227.db2.gz JNXIQQRTCAPTDB-UHFFFAOYSA-N 1 0 305.382 0.982 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593461185 397371340 /nfs/dbraw/zinc/37/13/40/397371340.db2.gz MGLVFRGYNJYRJM-CYBMUJFWSA-N 1 0 324.356 0.638 20 5 DCBDRO CO[C@@H]1COC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602694662 397464574 /nfs/dbraw/zinc/46/45/74/397464574.db2.gz AQSAKOWXRZKJPD-ZIAGYGMSSA-N 1 0 322.365 0.962 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](OC)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000370344336 397472547 /nfs/dbraw/zinc/47/25/47/397472547.db2.gz WQPLEYROWRCYPR-MNOVXSKESA-N 1 0 312.326 0.444 20 5 DCBDRO C[NH+](C)CC[C@@H](N)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000593902092 397472541 /nfs/dbraw/zinc/47/25/41/397472541.db2.gz NHMBODYVLCWOBF-CYBMUJFWSA-N 1 0 309.370 0.402 20 5 DCBDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)CCn1cc([N+](=O)[O-])cn1)C2 ZINC000593915615 397478186 /nfs/dbraw/zinc/47/81/86/397478186.db2.gz VXEVKEFXYQNUJM-FZMZJTMJSA-N 1 0 307.354 0.769 20 5 DCBDRO Cc1c(Cn2cc(CN3CC[NH2+]CC3)nn2)cccc1[N+](=O)[O-] ZINC000603200030 397582974 /nfs/dbraw/zinc/58/29/74/397582974.db2.gz ZBJHTWLDFORUEN-UHFFFAOYSA-N 1 0 316.365 0.948 20 5 DCBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000599904205 397537498 /nfs/dbraw/zinc/53/74/98/397537498.db2.gz XQMQGTZPBKJPKK-SSDOTTSWSA-N 1 0 312.713 0.665 20 5 DCBDRO C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000609600030 397784481 /nfs/dbraw/zinc/78/44/81/397784481.db2.gz MHYLIIGQUVLVKB-LLVKDONJSA-N 1 0 309.370 0.937 20 5 DCBDRO CC(C)[NH2+][C@H]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390994 397816902 /nfs/dbraw/zinc/81/69/02/397816902.db2.gz GRVHIBHOIPURID-JSGCOSHPSA-N 1 0 311.386 0.615 20 5 DCBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000123691639 158233123 /nfs/dbraw/zinc/23/31/23/158233123.db2.gz ZBEQTFGLGXFGHX-NSHDSACASA-N 1 0 310.358 0.567 20 5 DCBDRO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C[NH+]1CCCCC1 ZINC000128406579 158281225 /nfs/dbraw/zinc/28/12/25/158281225.db2.gz DUAXNNDSUTVJSU-NSHDSACASA-N 1 0 310.358 0.425 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000133228621 158317118 /nfs/dbraw/zinc/31/71/18/158317118.db2.gz RQAFOKAGPLQABX-SECBINFHSA-N 1 0 317.367 0.737 20 5 DCBDRO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C(C)(C)C[NH+](C)C ZINC000173049241 158403095 /nfs/dbraw/zinc/40/30/95/158403095.db2.gz UTSQYWGDECWTTR-NSHDSACASA-N 1 0 324.381 0.849 20 5 DCBDRO CN(C(=O)C[N@@H+]1CC[C@H](CC(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000367372994 159334600 /nfs/dbraw/zinc/33/46/00/159334600.db2.gz VYQCAWPXYVRSTM-LLVKDONJSA-N 1 0 320.349 0.755 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373884115 159704219 /nfs/dbraw/zinc/70/42/19/159704219.db2.gz CLJAACZDLVPESM-WDEREUQCSA-N 1 0 311.363 0.967 20 5 DCBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000408380451 160096147 /nfs/dbraw/zinc/09/61/47/160096147.db2.gz ZKAZSZPBPVWQPI-WDEREUQCSA-N 1 0 308.342 0.129 20 5 DCBDRO C[NH2+]CCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000121219155 286954429 /nfs/dbraw/zinc/95/44/29/286954429.db2.gz LSAVLFFRJFEPKO-UHFFFAOYSA-N 1 0 309.322 0.634 20 5 DCBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237881178 287067896 /nfs/dbraw/zinc/06/78/96/287067896.db2.gz PLAWVIFXOPHZOY-JQWIXIFHSA-N 1 0 308.338 0.390 20 5 DCBDRO Nc1c(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000340834468 287149653 /nfs/dbraw/zinc/14/96/53/287149653.db2.gz WROGGGGTDOYOCD-LLVKDONJSA-N 1 0 322.365 0.754 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC[N@H+]1CC=CCC1 ZINC000355389453 287180576 /nfs/dbraw/zinc/18/05/76/287180576.db2.gz DUUGXDOAKCGOBN-UHFFFAOYSA-N 1 0 307.354 0.868 20 5 DCBDRO COC[C@@]1(CNC(=O)c2cccc([N+](=O)[O-])c2N)CCC[NH2+]1 ZINC000357272482 287205588 /nfs/dbraw/zinc/20/55/88/287205588.db2.gz MFVITCCSSHKWTH-AWEZNQCLSA-N 1 0 308.338 0.675 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000416498972 287238166 /nfs/dbraw/zinc/23/81/66/287238166.db2.gz ZLPUDHXQMLKSFO-NSHDSACASA-N 1 0 313.379 0.966 20 5 DCBDRO CCOC(=O)c1ccnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1[N+](=O)[O-] ZINC000420240720 287284254 /nfs/dbraw/zinc/28/42/54/287284254.db2.gz KPKVKMAQSXDWCQ-AOOOYVTPSA-N 1 0 306.322 0.822 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268055731 415152766 /nfs/dbraw/zinc/15/27/66/415152766.db2.gz SRNDQMFVAMLWOF-HNNXBMFYSA-N 1 0 320.393 0.889 20 5 DCBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814865 415336294 /nfs/dbraw/zinc/33/62/94/415336294.db2.gz KCMQXOMBSNCVKQ-VNHYZAJKSA-N 1 0 323.397 0.711 20 5 DCBDRO COC[C@H](CO)[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353620120 415606547 /nfs/dbraw/zinc/60/65/47/415606547.db2.gz ICRPHRFZCGCITJ-JQWIXIFHSA-N 1 0 311.338 0.909 20 5 DCBDRO Cc1nn(CCC(=O)NC[C@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000104185216 415624222 /nfs/dbraw/zinc/62/42/22/415624222.db2.gz DXVOVYVEPBKCSW-GFCCVEGCSA-N 1 0 309.370 0.866 20 5 DCBDRO CC1CC[NH+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000133580956 415948452 /nfs/dbraw/zinc/94/84/52/415948452.db2.gz GSFUXLDTUIZLFC-UHFFFAOYSA-N 1 0 324.385 0.822 20 5 DCBDRO C[C@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1C[NH2+]C1 ZINC000357237880 416049817 /nfs/dbraw/zinc/04/98/17/416049817.db2.gz HOJQBMVNHKHMLG-JQWIXIFHSA-N 1 0 319.365 0.858 20 5 DCBDRO NC(=O)c1ccnc(NCC2CC[NH+](CCO)CC2)c1[N+](=O)[O-] ZINC000357233624 416050343 /nfs/dbraw/zinc/05/03/43/416050343.db2.gz DWSKARFPZQOHAT-UHFFFAOYSA-N 1 0 323.353 0.205 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000357256894 416054247 /nfs/dbraw/zinc/05/42/47/416054247.db2.gz PHDAISDHYKPAPY-CYBMUJFWSA-N 1 0 324.356 0.638 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000344897036 416004480 /nfs/dbraw/zinc/00/44/80/416004480.db2.gz FEYFTYIINFZIOP-SECBINFHSA-N 1 0 317.367 0.832 20 5 DCBDRO Cc1nn(C)c(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[N+](=O)[O-] ZINC000301278092 416079299 /nfs/dbraw/zinc/07/92/99/416079299.db2.gz LJNKHMUCHIEWTQ-LLVKDONJSA-N 1 0 324.385 0.636 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](CN3CCOCC3)C2)n1 ZINC000176263387 416121403 /nfs/dbraw/zinc/12/14/03/416121403.db2.gz URCYLYHQKIJZAL-CYBMUJFWSA-N 1 0 309.370 0.445 20 5 DCBDRO COC[C@H](O)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000338778042 416137305 /nfs/dbraw/zinc/13/73/05/416137305.db2.gz OOSMEAOLDNPKJN-GXFFZTMASA-N 1 0 311.338 0.909 20 5 DCBDRO Cc1c(CC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000358053465 416178332 /nfs/dbraw/zinc/17/83/32/416178332.db2.gz IRBUEUGIMRDVNI-OAHLLOKOSA-N 1 0 307.350 0.629 20 5 DCBDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000179264906 416185278 /nfs/dbraw/zinc/18/52/78/416185278.db2.gz FXIFMMGYVYUXLB-SNVBAGLBSA-N 1 0 311.342 0.405 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000179379322 416186659 /nfs/dbraw/zinc/18/66/59/416186659.db2.gz DNIGQHHOUOKQBU-UHFFFAOYSA-N 1 0 303.340 0.109 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC000358073482 416187254 /nfs/dbraw/zinc/18/72/54/416187254.db2.gz CINBCWSNBLWHSH-HNNXBMFYSA-N 1 0 322.365 0.580 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000358080175 416189266 /nfs/dbraw/zinc/18/92/66/416189266.db2.gz ZUEJYHABROMCHN-HNNXBMFYSA-N 1 0 307.350 0.710 20 5 DCBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331460686 416316311 /nfs/dbraw/zinc/31/63/11/416316311.db2.gz YWXFPHCGXVSAEG-MNOVXSKESA-N 1 0 308.342 0.272 20 5 DCBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000193584831 416318938 /nfs/dbraw/zinc/31/89/38/416318938.db2.gz QUERWLXHDIPCDB-IINYFYTJSA-N 1 0 320.349 0.672 20 5 DCBDRO COc1cc(C(=O)N2C[C@@H]3C[NH2+]C[C@H]3C2)cc([N+](=O)[O-])c1OC ZINC000359382568 416344673 /nfs/dbraw/zinc/34/46/73/416344673.db2.gz RJQUJSXLJRBNDL-QWRGUYRKSA-N 1 0 321.333 0.903 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCN1CC[NH2+]CC1 ZINC000415494608 416345007 /nfs/dbraw/zinc/34/50/07/416345007.db2.gz DXMQNNDDHYZFCO-UHFFFAOYSA-N 1 0 307.354 0.930 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000415651908 416350481 /nfs/dbraw/zinc/35/04/81/416350481.db2.gz GXZLRCXIPZTWJR-SNVBAGLBSA-N 1 0 312.326 0.777 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C1C[NH2+]C1 ZINC000415741245 416352941 /nfs/dbraw/zinc/35/29/41/416352941.db2.gz YHVGPNVCYSLAQT-UHFFFAOYSA-N 1 0 306.322 0.526 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@]1(CO)CCOC1 ZINC000359839664 416362367 /nfs/dbraw/zinc/36/23/67/416362367.db2.gz YEXZPYGDOTXDPR-HNNXBMFYSA-N 1 0 323.349 0.925 20 5 DCBDRO C[NH2+]C[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000428766573 287330495 /nfs/dbraw/zinc/33/04/95/287330495.db2.gz OCMSQNDREKERJZ-LLVKDONJSA-N 1 0 308.338 0.215 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@@H]3C[NH2+]CCCO3)n2)cc1 ZINC000420263650 416418221 /nfs/dbraw/zinc/41/82/21/416418221.db2.gz CIWHARVYJBLRFG-LBPRGKRZSA-N 1 0 319.321 1.435 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419757839 416408846 /nfs/dbraw/zinc/40/88/46/416408846.db2.gz IZWNDCMPHJGILA-JTQLQIEISA-N 1 0 322.365 0.491 20 5 DCBDRO C[C@@H]1CC[N@H+](CCNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000533038594 416469430 /nfs/dbraw/zinc/46/94/30/416469430.db2.gz UUDSIJWXUKMETG-LLVKDONJSA-N 1 0 308.338 0.215 20 5 DCBDRO C[C@H](CO)[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC1CCC1 ZINC000361500585 416441507 /nfs/dbraw/zinc/44/15/07/416441507.db2.gz GTDDBHCUXFTVKX-BXUZGUMPSA-N 1 0 312.370 0.635 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000423676899 416538396 /nfs/dbraw/zinc/53/83/96/416538396.db2.gz RKHCDDDNAODCCC-RYUDHWBXSA-N 1 0 307.350 0.830 20 5 DCBDRO O=C(C[C@H]1COCC[NH2+]1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423727234 416549400 /nfs/dbraw/zinc/54/94/00/416549400.db2.gz QUPDKMHQINYLAO-QMMMGPOBSA-N 1 0 305.294 0.788 20 5 DCBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000423993332 416602953 /nfs/dbraw/zinc/60/29/53/416602953.db2.gz QKGMOBDKJQKXQB-AWEZNQCLSA-N 1 0 322.365 0.892 20 5 DCBDRO C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000424013917 416605033 /nfs/dbraw/zinc/60/50/33/416605033.db2.gz LAXQMORQUAFTLL-QWRGUYRKSA-N 1 0 309.370 0.970 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000439156233 416608996 /nfs/dbraw/zinc/60/89/96/416608996.db2.gz LLUKAJSGHNWQOS-MNOVXSKESA-N 1 0 322.365 0.585 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000514605732 416666517 /nfs/dbraw/zinc/66/65/17/416666517.db2.gz UJULDCPDDOURAZ-NSHDSACASA-N 1 0 322.365 0.761 20 5 DCBDRO Nc1nccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000548738471 416690837 /nfs/dbraw/zinc/69/08/37/416690837.db2.gz SMKQUFZFPHKLIS-WDEREUQCSA-N 1 0 305.338 0.929 20 5 DCBDRO C[NH+]1CCC(n2ccc(NC(=O)c3c[nH]nc3[N+](=O)[O-])n2)CC1 ZINC000555317945 416710669 /nfs/dbraw/zinc/71/06/69/416710669.db2.gz ZXQYLVCGJAWMFB-UHFFFAOYSA-N 1 0 319.325 1.033 20 5 DCBDRO CN1C(=O)NCC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2 ZINC000425547282 416714918 /nfs/dbraw/zinc/71/49/18/416714918.db2.gz VAYOPNWHXLHERM-UHFFFAOYSA-N 1 0 308.342 0.281 20 5 DCBDRO COc1cccc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000516938251 416761542 /nfs/dbraw/zinc/76/15/42/416761542.db2.gz MLTDMHXSSFCPLL-ZJUUUORDSA-N 1 0 306.322 0.352 20 5 DCBDRO O=C(CC[N@H+]1CC[C@H](CO)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284125 416807107 /nfs/dbraw/zinc/80/71/07/416807107.db2.gz YJYDUCHAJXTFIQ-RISCZKNCSA-N 1 0 323.349 0.599 20 5 DCBDRO CN(CCC[NH+]1CCCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000563398903 416879465 /nfs/dbraw/zinc/87/94/65/416879465.db2.gz PRXBSKFKBGCENZ-UHFFFAOYSA-N 1 0 307.354 1.130 20 5 DCBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000518230037 416845790 /nfs/dbraw/zinc/84/57/90/416845790.db2.gz PBNIPZZDZCDBGB-HNNXBMFYSA-N 1 0 305.334 0.781 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069238 416992752 /nfs/dbraw/zinc/99/27/52/416992752.db2.gz CZCKOANKISPCGO-JSGCOSHPSA-N 1 0 320.349 0.217 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000449595765 417155426 /nfs/dbraw/zinc/15/54/26/417155426.db2.gz VJHBQKBYXPWESM-RKDXNWHRSA-N 1 0 322.321 0.172 20 5 DCBDRO C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1[NH3+] ZINC000332003392 296915811 /nfs/dbraw/zinc/91/58/11/296915811.db2.gz PQUAHXHXHUROGT-PSASIEDQSA-N 1 0 307.306 0.785 20 5 DCBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000569458604 417253419 /nfs/dbraw/zinc/25/34/19/417253419.db2.gz CNTHOUZLQIAHPX-CYBMUJFWSA-N 1 0 304.350 0.778 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000415293893 417357687 /nfs/dbraw/zinc/35/76/87/417357687.db2.gz FCRYQMQSOQWYQW-NSHDSACASA-N 1 0 320.349 0.916 20 5 DCBDRO COC(=O)COc1ccc(CN[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414797728 417301819 /nfs/dbraw/zinc/30/18/19/417301819.db2.gz BLZWYBRFMHKXFL-LBPRGKRZSA-N 1 0 323.349 0.974 20 5 DCBDRO C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000570836558 417399381 /nfs/dbraw/zinc/39/93/81/417399381.db2.gz GMPKARJSTAEFEC-MBNYWOFBSA-N 1 0 312.370 0.947 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000415342073 417368601 /nfs/dbraw/zinc/36/86/01/417368601.db2.gz IGZNBXWBMRDXCU-JTQLQIEISA-N 1 0 306.322 0.662 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[S@](=O)C2)c1 ZINC000570675360 417381084 /nfs/dbraw/zinc/38/10/84/417381084.db2.gz IEJWNVKQXJDUNX-ANFZBRINSA-N 1 0 314.363 0.445 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000452386005 417479482 /nfs/dbraw/zinc/47/94/82/417479482.db2.gz WIDANPFJALUEPL-JTQLQIEISA-N 1 0 323.353 0.149 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc(O)c(F)c2)c1 ZINC000575377571 417532064 /nfs/dbraw/zinc/53/20/64/417532064.db2.gz WNXZKUDZSIDLFE-LLVKDONJSA-N 1 0 310.285 0.787 20 5 DCBDRO CNc1nc(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)ccc1[N+](=O)[O-] ZINC000455510197 417607354 /nfs/dbraw/zinc/60/73/54/417607354.db2.gz AHCNTEXKNMXLBD-SNVBAGLBSA-N 1 0 323.353 0.482 20 5 DCBDRO CNc1nc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000455714339 417614799 /nfs/dbraw/zinc/61/47/99/417614799.db2.gz DISMHQAAZZDBMA-SNVBAGLBSA-N 1 0 323.353 0.434 20 5 DCBDRO CC(C)[NH+]1CCN([C@@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000531582397 417626822 /nfs/dbraw/zinc/62/68/22/417626822.db2.gz VJELRCKEMQAXKA-CYBMUJFWSA-N 1 0 322.413 0.933 20 5 DCBDRO O=C(N[C@@H]1COC[C@H]1O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000456432602 417649699 /nfs/dbraw/zinc/64/96/99/417649699.db2.gz HBPDBSTZHHRBGA-ZWNOBZJWSA-N 1 0 318.289 0.270 20 5 DCBDRO CC(C)Oc1nc(NC[C@@]2(O)CC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000577528954 417678276 /nfs/dbraw/zinc/67/82/76/417678276.db2.gz KZYAIATXZNOOBA-AWEZNQCLSA-N 1 0 310.354 1.256 20 5 DCBDRO Cc1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1[N+](=O)[O-] ZINC000189713182 261132404 /nfs/dbraw/zinc/13/24/04/261132404.db2.gz MLZDTHYXDSAOPV-UHFFFAOYSA-N 1 0 313.379 0.884 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+](CCO)CCCO ZINC000273391658 261170163 /nfs/dbraw/zinc/17/01/63/261170163.db2.gz VAOHLCDNMIYIAB-LBPRGKRZSA-N 1 0 314.338 0.011 20 5 DCBDRO CN1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000316675618 261175640 /nfs/dbraw/zinc/17/56/40/261175640.db2.gz HHICIRQNKNRILC-FMFIFOJESA-N 1 0 304.350 0.709 20 5 DCBDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000354667519 261254396 /nfs/dbraw/zinc/25/43/96/261254396.db2.gz GYIAHRKWBVTZCU-GFCCVEGCSA-N 1 0 320.349 0.469 20 5 DCBDRO CC[C@@H]1CN(Cc2c([N+](=O)[O-])ncn2C)CC[N@@H+]1CCOC ZINC000355939990 261377889 /nfs/dbraw/zinc/37/78/89/261377889.db2.gz YKKMZMZURSYFCK-GFCCVEGCSA-N 1 0 311.386 0.871 20 5 DCBDRO CC[NH+](CC)CCOCCNC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356726307 261461564 /nfs/dbraw/zinc/46/15/64/261461564.db2.gz FYRKZKJZTZSKFT-UHFFFAOYSA-N 1 0 313.358 0.417 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363223800 262106769 /nfs/dbraw/zinc/10/67/69/262106769.db2.gz JRPRLNYFROGAJJ-RYUDHWBXSA-N 1 0 323.353 0.079 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOCc2ccccc2)c1 ZINC000390064402 262160142 /nfs/dbraw/zinc/16/01/42/262160142.db2.gz YDGSDIYSFHKSTM-OAHLLOKOSA-N 1 0 320.349 0.959 20 5 DCBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1cccc([N+](=O)[O-])c1 ZINC000417128775 262246972 /nfs/dbraw/zinc/24/69/72/262246972.db2.gz JGBAZLFDOWGVIX-GWCFXTLKSA-N 1 0 308.338 0.943 20 5 DCBDRO [NH3+]CCN(CCO)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000417727997 262259554 /nfs/dbraw/zinc/25/95/54/262259554.db2.gz OSTLQJKDGDJOBA-UHFFFAOYSA-N 1 0 324.381 0.880 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)N(CC[NH3+])CCO)cc1[N+](=O)[O-] ZINC000417844496 262263687 /nfs/dbraw/zinc/26/36/87/262263687.db2.gz HNWMHBZWNQOIIJ-NSHDSACASA-N 1 0 310.354 0.927 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418522550 262281085 /nfs/dbraw/zinc/28/10/85/262281085.db2.gz JLAJTDJIWVJRNH-LLVKDONJSA-N 1 0 322.369 0.559 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000418774589 262288507 /nfs/dbraw/zinc/28/85/07/262288507.db2.gz DDCFASBLWZNQNT-MNOVXSKESA-N 1 0 320.349 0.592 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418919419 262298124 /nfs/dbraw/zinc/29/81/24/262298124.db2.gz FRLNTPDJPARLBT-CYBMUJFWSA-N 1 0 320.349 0.107 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418918143 262298354 /nfs/dbraw/zinc/29/83/54/262298354.db2.gz CCMHROPABBDNET-LBPRGKRZSA-N 1 0 320.349 0.122 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419121479 262310176 /nfs/dbraw/zinc/31/01/76/262310176.db2.gz ASLBYRQBOWFWIX-MNOVXSKESA-N 1 0 320.349 0.722 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000419152898 262313553 /nfs/dbraw/zinc/31/35/53/262313553.db2.gz ORVMHSBBNJIEPB-MNOVXSKESA-N 1 0 320.349 0.592 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000419257811 262323674 /nfs/dbraw/zinc/32/36/74/262323674.db2.gz DFLXFAVDGHQBGQ-NSHDSACASA-N 1 0 320.349 0.512 20 5 DCBDRO C[NH2+][C@@H]1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420277637 262369574 /nfs/dbraw/zinc/36/95/74/262369574.db2.gz UGKNBLFHIUAHCL-LLVKDONJSA-N 1 0 313.379 0.662 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420465115 262374299 /nfs/dbraw/zinc/37/42/99/262374299.db2.gz VFPMKMXKNNMYTG-ZDUSSCGKSA-N 1 0 313.379 0.890 20 5 DCBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCO1 ZINC000423998074 262476256 /nfs/dbraw/zinc/47/62/56/262476256.db2.gz ZJQIMCWFMNQGLK-LLVKDONJSA-N 1 0 308.338 0.501 20 5 DCBDRO CO[C@@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359220101 271106858 /nfs/dbraw/zinc/10/68/58/271106858.db2.gz IJGHJJXWHWKNQJ-NWDGAFQWSA-N 1 0 322.365 0.971 20 5 DCBDRO COC(=O)COc1ccc(C[N@H+](C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000361007665 271169375 /nfs/dbraw/zinc/16/93/75/271169375.db2.gz AZEWAYKTTRWWBF-SNVBAGLBSA-N 1 0 312.322 0.959 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418875168 271260288 /nfs/dbraw/zinc/26/02/88/271260288.db2.gz VZIDTLSBFHHOFQ-GFCCVEGCSA-N 1 0 320.349 0.122 20 5 DCBDRO C[NH2+]CCNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419266745 271280506 /nfs/dbraw/zinc/28/05/06/271280506.db2.gz HNAYJGLVXRDYFD-SNVBAGLBSA-N 1 0 308.338 0.416 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419862370 271334986 /nfs/dbraw/zinc/33/49/86/271334986.db2.gz BHJIKRMRYSASCR-UHFFFAOYSA-N 1 0 320.349 0.205 20 5 DCBDRO CN(CC[NH+]1CCCC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000439084900 271634378 /nfs/dbraw/zinc/63/43/78/271634378.db2.gz IHZWVSWJPTVUCZ-UHFFFAOYSA-N 1 0 308.338 0.311 20 5 DCBDRO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000459755166 272007766 /nfs/dbraw/zinc/00/77/66/272007766.db2.gz JSQWGMIDMFPLBO-JHJVBQTASA-N 1 0 310.354 0.699 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000492557123 272134838 /nfs/dbraw/zinc/13/48/38/272134838.db2.gz BLGQTJSSNOHROD-UYWPIULCSA-N 1 0 323.324 0.930 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000494842597 272232438 /nfs/dbraw/zinc/23/24/38/272232438.db2.gz QXWFUARYEPNQTN-UHFFFAOYSA-N 1 0 323.397 0.790 20 5 DCBDRO CCOC1CC(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000514932509 272412256 /nfs/dbraw/zinc/41/22/56/272412256.db2.gz ILNBBRNUBYBAPN-QRMWWUJWSA-N 1 0 312.370 0.947 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000515145045 287647734 /nfs/dbraw/zinc/64/77/34/287647734.db2.gz QAKXKNGTMYIEGS-JTQLQIEISA-N 1 0 306.322 0.031 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000428194874 276442271 /nfs/dbraw/zinc/44/22/71/276442271.db2.gz GQDNTCWDLNLTHQ-NXEZZACHSA-N 1 0 310.358 0.305 20 5 DCBDRO COc1cc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1C ZINC000552157677 288266998 /nfs/dbraw/zinc/26/69/98/288266998.db2.gz YCBDQRAPTGGSFG-STQMWFEESA-N 1 0 323.349 0.659 20 5 DCBDRO C[C@@H](C[NH+](C)C)Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000553363881 288296191 /nfs/dbraw/zinc/29/61/91/288296191.db2.gz UVWNMWZQTGOZCL-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO [NH3+]CC1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC1 ZINC000557265105 288416226 /nfs/dbraw/zinc/41/62/26/288416226.db2.gz CWAZWWOOHNVHEE-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000561239365 288534545 /nfs/dbraw/zinc/53/45/45/288534545.db2.gz GRGOGLAVXRVZKX-GFCCVEGCSA-N 1 0 320.349 0.469 20 5 DCBDRO NC(=O)NC(=O)CC[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000564651780 288755808 /nfs/dbraw/zinc/75/58/08/288755808.db2.gz WALKMLPSZAGFDP-UHFFFAOYSA-N 1 0 314.729 0.965 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000584005450 331560944 /nfs/dbraw/zinc/56/09/44/331560944.db2.gz UGMDKURCJYTHJC-RKDXNWHRSA-N 1 0 311.729 0.391 20 5 DCBDRO CO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000582664108 337117813 /nfs/dbraw/zinc/11/78/13/337117813.db2.gz ZTFXMVYIYXJUGV-MRVWCRGKSA-N 1 0 312.322 0.338 20 5 DCBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(=O)NCC[NH+](C)C ZINC000583744167 337328243 /nfs/dbraw/zinc/32/82/43/337328243.db2.gz PWTOVTXJLXPNKB-LLVKDONJSA-N 1 0 322.365 0.320 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000575332049 341793347 /nfs/dbraw/zinc/79/33/47/341793347.db2.gz MLVVYNMVPAROIM-ZJUUUORDSA-N 1 0 306.322 0.250 20 5 DCBDRO COC(=O)CC1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000154477248 522932413 /nfs/dbraw/zinc/93/24/13/522932413.db2.gz UYODIJMYQBOHSS-UHFFFAOYSA-N 1 0 312.326 0.493 20 5 DCBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000237318818 523938917 /nfs/dbraw/zinc/93/89/17/523938917.db2.gz DTMVKRUBQPXQLP-UHFFFAOYSA-N 1 0 312.282 0.469 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000262595008 525009921 /nfs/dbraw/zinc/00/99/21/525009921.db2.gz UKVYWGAQICTHHV-GHMZBOCLSA-N 1 0 308.338 0.342 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237551919 525345116 /nfs/dbraw/zinc/34/51/16/525345116.db2.gz PMKPFBAODOBESB-NOZJJQNGSA-N 1 0 320.349 0.567 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267157067 525467846 /nfs/dbraw/zinc/46/78/46/525467846.db2.gz YAVNAOPQQPHORZ-GFCCVEGCSA-N 1 0 313.383 0.793 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000189346949 525795991 /nfs/dbraw/zinc/79/59/91/525795991.db2.gz WURZOZPEONMGBC-CYBMUJFWSA-N 1 0 309.366 0.972 20 5 DCBDRO Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC[NH3+])ccc1[N+](=O)[O-] ZINC000158713296 526250160 /nfs/dbraw/zinc/25/01/60/526250160.db2.gz QRVXLYUQXOEBDS-ZDUSSCGKSA-N 1 0 320.349 0.583 20 5 DCBDRO [NH3+]CCCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000237902763 527170279 /nfs/dbraw/zinc/17/02/79/527170279.db2.gz PDNIIIYTZLVGKR-UHFFFAOYSA-N 1 0 320.349 0.618 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736757707 598500812 /nfs/dbraw/zinc/50/08/12/598500812.db2.gz WYLYIDSDLBNFDO-SECBINFHSA-N 1 0 318.341 0.700 20 5 DCBDRO [NH3+][C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000238052382 665425606 /nfs/dbraw/zinc/42/56/06/665425606.db2.gz JATTWAIXFIZJHU-LBPRGKRZSA-N 1 0 316.321 0.643 20 5 DCBDRO Cn1nccc1[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)CCO1 ZINC000933535746 657491545 /nfs/dbraw/zinc/49/15/45/657491545.db2.gz WCJFHDIDVMUCNB-GFCCVEGCSA-N 1 0 306.326 0.598 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120114052 657502693 /nfs/dbraw/zinc/50/26/93/657502693.db2.gz RWSGNEDVKBHTEG-SNVBAGLBSA-N 1 0 323.396 0.247 20 5 DCBDRO CCOC(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000932644323 658696804 /nfs/dbraw/zinc/69/68/04/658696804.db2.gz IZABLRKKAHFHNT-NSHDSACASA-N 1 0 309.322 0.642 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775191 659557221 /nfs/dbraw/zinc/55/72/21/659557221.db2.gz CEDQPPUTFNTDEG-RGDJUOJXSA-N 1 0 302.334 0.293 20 5 DCBDRO C[C@H]1CN(c2c([N+](=O)[O-])cnn2C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000893046994 659705244 /nfs/dbraw/zinc/70/52/44/659705244.db2.gz IYXCRIVVVCUQEN-STQMWFEESA-N 1 0 322.413 0.791 20 5 DCBDRO Cc1nn(C)c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000726163824 661652445 /nfs/dbraw/zinc/65/24/45/661652445.db2.gz OEKRXXLYOAQOKD-MNOVXSKESA-N 1 0 323.353 0.230 20 5 DCBDRO CN1CCN(c2cc(N)c([N+](=O)[O-])c(CO)c2)CC[N@H+](C)CC1 ZINC000897095274 662390697 /nfs/dbraw/zinc/39/06/97/662390697.db2.gz QKLVENINWCILJS-UHFFFAOYSA-N 1 0 323.397 0.353 20 5 DCBDRO CN1CCN(c2nc3sccn3c2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000897099276 662393984 /nfs/dbraw/zinc/39/39/84/662393984.db2.gz KNKSERHGQGLRRQ-UHFFFAOYSA-N 1 0 324.410 0.988 20 5 DCBDRO NC(=O)CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000990424566 663047187 /nfs/dbraw/zinc/04/71/87/663047187.db2.gz VUJZQFSJTVQQHI-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000903840212 663488822 /nfs/dbraw/zinc/48/88/22/663488822.db2.gz PTOOAONPSQLYQU-CABCVRRESA-N 1 0 309.366 0.939 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000905570946 663565003 /nfs/dbraw/zinc/56/50/03/663565003.db2.gz HKDSJIMLSAJMLJ-UJNFCWOMSA-N 1 0 308.260 0.940 20 5 DCBDRO CC1(C)CCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000905678060 663574813 /nfs/dbraw/zinc/57/48/13/663574813.db2.gz IGGJOTOQZKNORW-ZDUSSCGKSA-N 1 0 311.386 0.474 20 5 DCBDRO CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000941407786 665991505 /nfs/dbraw/zinc/99/15/05/665991505.db2.gz WQUWBNJWBHBXDG-ZIAGYGMSSA-N 1 0 310.398 0.136 20 5 DCBDRO C[NH+]1C[C@]2(C)CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@]2(C)C1 ZINC000913289136 664298475 /nfs/dbraw/zinc/29/84/75/664298475.db2.gz JNNHTYBOSJPRNN-ZIAGYGMSSA-N 1 0 307.354 0.592 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000164570994 664381986 /nfs/dbraw/zinc/38/19/86/664381986.db2.gz ORTJRVSERPHMNR-UHFFFAOYSA-N 1 0 305.331 0.882 20 5 DCBDRO O=C(NC12CC[NH+](CC1)C2)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000913626310 664707882 /nfs/dbraw/zinc/70/78/82/664707882.db2.gz MXFUWAZZYSBWBV-UHFFFAOYSA-N 1 0 319.317 0.944 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)C1 ZINC000730841592 664819817 /nfs/dbraw/zinc/81/98/17/664819817.db2.gz LHFQSMVSNSVCMF-NSHDSACASA-N 1 0 322.365 0.936 20 5 DCBDRO CN(CC(=O)N1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000915212238 664872543 /nfs/dbraw/zinc/87/25/43/664872543.db2.gz JAGMLFQSYRXHFF-UHFFFAOYSA-N 1 0 310.329 0.944 20 5 DCBDRO Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000997770382 665335828 /nfs/dbraw/zinc/33/58/28/665335828.db2.gz WGAAJMMZMWAIEE-CHWSQXEVSA-N 1 0 322.365 0.976 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997773972 665337206 /nfs/dbraw/zinc/33/72/06/665337206.db2.gz ZMVZTPWSRQWOTM-CHWSQXEVSA-N 1 0 308.338 0.668 20 5 DCBDRO O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001002785761 666221372 /nfs/dbraw/zinc/22/13/72/666221372.db2.gz VNQUTBMZEXUETA-CHWSQXEVSA-N 1 0 307.354 0.129 20 5 DCBDRO CNC(=O)c1ccc(N2CCC([NH3+])(CO)CC2)c([N+](=O)[O-])c1 ZINC000733896060 666827075 /nfs/dbraw/zinc/82/70/75/666827075.db2.gz ZQBQJPPCKTVIDS-UHFFFAOYSA-N 1 0 308.338 0.244 20 5 DCBDRO O=[N+]([O-])c1ccc(NC(=S)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000863253009 667122237 /nfs/dbraw/zinc/12/22/37/667122237.db2.gz GHYNTLRKWCENSV-LBPRGKRZSA-N 1 0 310.379 0.948 20 5 DCBDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000841456764 667178029 /nfs/dbraw/zinc/17/80/29/667178029.db2.gz LWQLALUBEQRCOH-NWDGAFQWSA-N 1 0 301.387 0.735 20 5 DCBDRO O=C1OC[C@@]2(C[NH2+]Cc3cccc([N+](=O)[O-])c3)COCCN12 ZINC000865770010 667345395 /nfs/dbraw/zinc/34/53/95/667345395.db2.gz ZJJIODRLNYDUFE-CQSZACIVSA-N 1 0 307.306 0.906 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923368009 667517931 /nfs/dbraw/zinc/51/79/31/667517931.db2.gz ZKPGNWJKGJNFOE-KGLIPLIRSA-N 1 0 309.370 0.228 20 5 DCBDRO CN1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000888998810 667947836 /nfs/dbraw/zinc/94/78/36/667947836.db2.gz KLRRTWPLDHMLOE-UHFFFAOYSA-N 1 0 320.393 0.843 20 5 DCBDRO CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC000926140551 668376871 /nfs/dbraw/zinc/37/68/71/668376871.db2.gz CPZXFKYOGGUZPD-QTPLKFIXSA-N 1 0 311.382 0.248 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3COCCO3)CC2)cn1 ZINC000876951114 668541076 /nfs/dbraw/zinc/54/10/76/668541076.db2.gz DQZKFWWZGKPOTL-CQSZACIVSA-N 1 0 322.365 0.964 20 5 DCBDRO COC(=O)C[C@]1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000767033101 668556716 /nfs/dbraw/zinc/55/67/16/668556716.db2.gz SPFPUCYPWCUBFB-UKRRQHHQSA-N 1 0 324.333 0.940 20 5 DCBDRO Cn1c(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000877334671 668604052 /nfs/dbraw/zinc/60/40/52/668604052.db2.gz CFHHBNGVAMWCEB-LLVKDONJSA-N 1 0 322.365 0.822 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000878154977 668690621 /nfs/dbraw/zinc/69/06/21/668690621.db2.gz JSAAUDGMGNOXNJ-UHFFFAOYSA-N 1 0 307.354 0.702 20 5 DCBDRO Cn1cc([C@H](CO)[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000778135744 668894643 /nfs/dbraw/zinc/89/46/43/668894643.db2.gz FALPUQHJRGQTEZ-KBPBESRZSA-N 1 0 306.322 0.685 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000878917220 668950446 /nfs/dbraw/zinc/95/04/46/668950446.db2.gz DOTQZTNXKBVNNA-NSHDSACASA-N 1 0 309.326 0.626 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])CC[C@H]21 ZINC000879072127 668979417 /nfs/dbraw/zinc/97/94/17/668979417.db2.gz RNCTUXOXUYNREB-ZYHUDNBSSA-N 1 0 305.338 0.970 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000879573508 669065060 /nfs/dbraw/zinc/06/50/60/669065060.db2.gz OYCHQGMXAHRLJN-XBFCOCLRSA-N 1 0 309.370 0.178 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCn1cc([N+](=O)[O-])ccc1=O ZINC000880137931 669164502 /nfs/dbraw/zinc/16/45/02/669164502.db2.gz MYTYYUQTADLUKI-ZIAGYGMSSA-N 1 0 306.366 0.925 20 5 DCBDRO CC(C)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCOCC1 ZINC000786157933 669296209 /nfs/dbraw/zinc/29/62/09/669296209.db2.gz RSAFAAIWPOWLOF-CYBMUJFWSA-N 1 0 312.370 0.947 20 5 DCBDRO O=C1C[C@]2(CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000789355992 669489237 /nfs/dbraw/zinc/48/92/37/669489237.db2.gz WZFXQWFKXIGQBP-DZGCQCFKSA-N 1 0 305.334 0.840 20 5 DCBDRO CN1CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000933991456 669559153 /nfs/dbraw/zinc/55/91/53/669559153.db2.gz ASNQWFJXRXVIEI-MRXNPFEDSA-N 1 0 322.409 0.807 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCOC12CCOCC2 ZINC000934400501 669600317 /nfs/dbraw/zinc/60/03/17/669600317.db2.gz PIPXQWNQNZJPML-ZDUSSCGKSA-N 1 0 323.349 0.684 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000934588855 669617029 /nfs/dbraw/zinc/61/70/29/669617029.db2.gz MRNIRGFRWQCQJU-GFCCVEGCSA-N 1 0 323.353 0.033 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000935980323 669805839 /nfs/dbraw/zinc/80/58/39/669805839.db2.gz HWOLFMMAXBYOBU-MRVWCRGKSA-N 1 0 307.350 0.737 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N1CC[NH2+]CC1 ZINC000040860430 669821987 /nfs/dbraw/zinc/82/19/87/669821987.db2.gz VVYGJBRUQMLWAL-UHFFFAOYSA-N 1 0 314.367 0.177 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000817118360 670897103 /nfs/dbraw/zinc/89/71/03/670897103.db2.gz TXBHBPFKINABPR-MNOVXSKESA-N 1 0 320.349 0.969 20 5 DCBDRO [NH3+]CCCCCCNS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000850588803 670920746 /nfs/dbraw/zinc/92/07/46/670920746.db2.gz OXCVDFIKJFBZHN-UHFFFAOYSA-N 1 0 302.356 0.787 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000818524014 671028055 /nfs/dbraw/zinc/02/80/55/671028055.db2.gz UOWYSNPSYPNACA-GFCCVEGCSA-N 1 0 303.322 0.798 20 5 DCBDRO Cc1noc(C)c1CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819144303 671098895 /nfs/dbraw/zinc/09/88/95/671098895.db2.gz YZROQOYHDOWTLF-CYBMUJFWSA-N 1 0 323.353 0.979 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCCS2(=O)=O)c1 ZINC000819172503 671100210 /nfs/dbraw/zinc/10/02/10/671100210.db2.gz YRQMJOAFYIJPFV-OLZOCXBDSA-N 1 0 314.363 0.795 20 5 DCBDRO COC(=O)c1cc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000852812789 671164439 /nfs/dbraw/zinc/16/44/39/671164439.db2.gz GFQMQPUXXWMADU-JTQLQIEISA-N 1 0 322.277 0.424 20 5 DCBDRO NC(=O)c1cc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000853242424 671224203 /nfs/dbraw/zinc/22/42/03/671224203.db2.gz SFCMRLLQDDMKMN-NEPJUHHUSA-N 1 0 320.349 0.969 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H](C)C1 ZINC000829911324 671595754 /nfs/dbraw/zinc/59/57/54/671595754.db2.gz VILKAKZONROWLT-VXGBXAGGSA-N 1 0 301.387 0.735 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000830871837 671645108 /nfs/dbraw/zinc/64/51/08/671645108.db2.gz OSSWFPYPXXMRGF-XBFCOCLRSA-N 1 0 324.333 0.484 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@@H]1CCC[NH2+]C1 ZINC000832357627 671716259 /nfs/dbraw/zinc/71/62/59/671716259.db2.gz JKEKZQQRQZFNNW-LLVKDONJSA-N 1 0 303.322 0.813 20 5 DCBDRO [NH3+]C[C@@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832545034 671724332 /nfs/dbraw/zinc/72/43/32/671724332.db2.gz ZJAWQSTYEUCOKL-JTQLQIEISA-N 1 0 303.322 0.752 20 5 DCBDRO COC[C@@]1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000834765129 671779196 /nfs/dbraw/zinc/77/91/96/671779196.db2.gz QJFGYYWNFBGLEP-AWEZNQCLSA-N 1 0 308.338 0.675 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834825399 671783274 /nfs/dbraw/zinc/78/32/74/671783274.db2.gz CVQALQZICGUEEL-NSHDSACASA-N 1 0 322.365 0.899 20 5 DCBDRO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000842483821 672014289 /nfs/dbraw/zinc/01/42/89/672014289.db2.gz RFZXMOSMVNHMRP-JTQLQIEISA-N 1 0 314.367 0.656 20 5 DCBDRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000843090285 672060681 /nfs/dbraw/zinc/06/06/81/672060681.db2.gz VPQJJKJHIRIHGL-RYUDHWBXSA-N 1 0 310.310 0.377 20 5 DCBDRO Cn1nccc1[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843106523 672062669 /nfs/dbraw/zinc/06/26/69/672062669.db2.gz BFLNNPAHYAQLNJ-GXTWGEPZSA-N 1 0 306.322 0.685 20 5 DCBDRO [NH3+]CCN(CCO)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000843367976 672087504 /nfs/dbraw/zinc/08/75/04/672087504.db2.gz MNKWGRFCFANTNV-UHFFFAOYSA-N 1 0 316.745 0.440 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sn1 ZINC001020139500 693710322 /nfs/dbraw/zinc/71/03/22/693710322.db2.gz BLLYUNAJBRUKKM-CNVPUSNMSA-N 1 0 310.379 0.854 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC001567333252 1160316137 /nfs/dbraw/zinc/31/61/37/1160316137.db2.gz OTOSVYQWKXBAFZ-HUUCEWRRSA-N 1 0 321.377 0.782 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C(N)=O)CC1 ZINC001567553957 1160418667 /nfs/dbraw/zinc/41/86/67/1160418667.db2.gz GAOJBKSGKHNGKZ-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO CCN(CC[NH2+]Cc1ccc(OC)nc1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568742102 1160756498 /nfs/dbraw/zinc/75/64/98/1160756498.db2.gz LMWXJEUMYXXKMC-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO C[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])C[C@H](O)C[NH2+]1 ZINC001573596593 1163512591 /nfs/dbraw/zinc/51/25/91/1163512591.db2.gz IVPXENKOPIUXIL-HZMBPMFUSA-N 1 0 308.338 0.236 20 5 DCBDRO CC[C@@H]1CN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](CC)C[NH2+]1 ZINC001573717727 1163540507 /nfs/dbraw/zinc/54/05/07/1163540507.db2.gz HJJCARCQHJUSFE-NEPJUHHUSA-N 1 0 322.365 0.746 20 5 DCBDRO C[C@@]([NH3+])(C(=O)NCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001576082181 1164233797 /nfs/dbraw/zinc/23/37/97/1164233797.db2.gz UXOMOMFRWFVZPF-HIFRSBDPSA-N 1 0 323.349 0.690 20 5 DCBDRO C[C@]1(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C[NH2+]CCO1 ZINC001576507728 1164369839 /nfs/dbraw/zinc/36/98/39/1164369839.db2.gz FDKANYBDJFZRMZ-GXTWGEPZSA-N 1 0 309.322 0.123 20 5 DCBDRO CCOc1ccc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001578171507 1164943884 /nfs/dbraw/zinc/94/38/84/1164943884.db2.gz KJCAGODCBAYVEE-NSHDSACASA-N 1 0 321.333 0.854 20 5 DCBDRO COC(=O)[C@H]1CN(Cc2cccnc2[N+](=O)[O-])CC12C[NH2+]C2 ZINC001578795470 1165114069 /nfs/dbraw/zinc/11/40/69/1165114069.db2.gz BLATXLONKDVIOB-LLVKDONJSA-N 1 0 306.322 0.184 20 5 DCBDRO CO[C@@H]1C[NH2+]C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001579126332 1165217203 /nfs/dbraw/zinc/21/72/03/1165217203.db2.gz SHPYKLANZIQZKR-ZYHUDNBSSA-N 1 0 315.351 0.168 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@]2(C)C[NH2+]CCO2)c1 ZINC001579242139 1165248700 /nfs/dbraw/zinc/24/87/00/1165248700.db2.gz KAOOOYWFHFAMDR-CQSZACIVSA-N 1 0 309.322 0.712 20 5 DCBDRO Cc1cc(Cl)c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-] ZINC001579605461 1165357326 /nfs/dbraw/zinc/35/73/26/1165357326.db2.gz SEARXOGHWDSEAB-PRHODGIISA-N 1 0 313.741 0.867 20 5 DCBDRO Cc1nn(CC(=O)N2CC[NH2+]CC2)c2ncc([N+](=O)[O-])cc12 ZINC001579893163 1165426253 /nfs/dbraw/zinc/42/62/53/1165426253.db2.gz PWJLEZXYEUIOJZ-UHFFFAOYSA-N 1 0 304.310 0.080 20 5 DCBDRO O=C(CN1CCO[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC001580549501 1165636347 /nfs/dbraw/zinc/63/63/47/1165636347.db2.gz YTDDGFSICXBCOB-OAHLLOKOSA-N 1 0 320.349 0.598 20 5 DCBDRO O=C(Cc1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1C[NH2+]C[C@H]1O ZINC001580570327 1165641504 /nfs/dbraw/zinc/64/15/04/1165641504.db2.gz YRUJIUOQDDNSKB-BXKDBHETSA-N 1 0 313.741 0.487 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N(C1CC1)C1C[NH2+]C1 ZINC001580582107 1165644996 /nfs/dbraw/zinc/64/49/96/1165644996.db2.gz PGJAZTMHOAOICS-UHFFFAOYSA-N 1 0 315.333 0.907 20 5 DCBDRO O=C(NC1(CO)CC[NH2+]CC1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001580595445 1165648177 /nfs/dbraw/zinc/64/81/77/1165648177.db2.gz HJKKZHHMTWRQCF-UHFFFAOYSA-N 1 0 318.333 0.920 20 5 DCBDRO O=C(NC[C@]1(O)CC[NH2+]C1)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC001580635606 1165669623 /nfs/dbraw/zinc/66/96/23/1165669623.db2.gz RERXXOWHMTYSPG-HNNXBMFYSA-N 1 0 319.361 0.857 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNc2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001591180671 1167132048 /nfs/dbraw/zinc/13/20/48/1167132048.db2.gz PBWSCHVBEAYUHT-ZDUSSCGKSA-N 1 0 319.325 0.253 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCC[C@H]1CO ZINC001593466814 1167859039 /nfs/dbraw/zinc/85/90/39/1167859039.db2.gz IEDHQLCOTMDTDX-NSHDSACASA-N 1 0 304.310 0.732 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)c(F)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001593469480 1167859535 /nfs/dbraw/zinc/85/95/35/1167859535.db2.gz SCWOHSIUPUYYBL-HTQZYQBOSA-N 1 0 319.300 0.570 20 5 DCBDRO O=[N+]([O-])c1cc(NC[C@@H]2CSCC[NH2+]2)ccc1-c1nn[nH]n1 ZINC001593473421 1167862279 /nfs/dbraw/zinc/86/22/79/1167862279.db2.gz BMJZJLGIBPTJAS-SECBINFHSA-N 1 0 321.366 0.892 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001620969389 1167996694 /nfs/dbraw/zinc/99/66/94/1167996694.db2.gz IKICYZHRDLOWFV-SNVBAGLBSA-N 1 0 307.354 0.986 20 5 DCBDRO CO[C@@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001605144938 1169845160 /nfs/dbraw/zinc/84/51/60/1169845160.db2.gz PLCJXTMKPKQLCV-SECBINFHSA-N 1 0 304.310 0.996 20 5 DCBDRO C[NH+](C)C1(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC001609266138 1170904226 /nfs/dbraw/zinc/90/42/26/1170904226.db2.gz WFKHCRJGOCNXMB-UHFFFAOYSA-N 1 0 304.314 0.676 20 5 DCBDRO CNC(=O)c1ccc(N2CC([NH2+][C@H]3CCOC3)C2)c([N+](=O)[O-])c1 ZINC001612978962 1171365454 /nfs/dbraw/zinc/36/54/54/1171365454.db2.gz FVUUSIXVNDBWRO-NSHDSACASA-N 1 0 320.349 0.522 20 5 DCBDRO C[C@@H]1[C@H](Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001612939394 1171365838 /nfs/dbraw/zinc/36/58/38/1171365838.db2.gz CHMAUODMQVSLQV-PSASIEDQSA-N 1 0 314.367 0.747 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001618752158 1171399860 /nfs/dbraw/zinc/39/98/60/1171399860.db2.gz FTYBYHUPWRAIMB-AWEZNQCLSA-N 1 0 323.353 0.101 20 5 DCBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001620535864 1171403731 /nfs/dbraw/zinc/40/37/31/1171403731.db2.gz DEFXBRVVIYCTMO-SNVBAGLBSA-N 1 0 304.310 0.976 20 5 DCBDRO Cc1noc(C[NH+]2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)c1[N+](=O)[O-] ZINC001620487817 1171404393 /nfs/dbraw/zinc/40/43/93/1171404393.db2.gz FRLCAIMYCWOSDX-CHWSQXEVSA-N 1 0 308.294 0.376 20 5 DCBDRO C[C@@H]1CN(C(=O)c2c([N+](=O)[O-])cnn2C)CC[N@@H+](C2CC2)C1 ZINC001625284248 1171469187 /nfs/dbraw/zinc/46/91/87/1171469187.db2.gz GEJXCXPCGDKJIS-JTQLQIEISA-N 1 0 307.354 0.885 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001628764005 1171535818 /nfs/dbraw/zinc/53/58/18/1171535818.db2.gz PVYSHTSCJSOLAH-ABAIWWIYSA-N 1 0 322.365 0.578 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001628764007 1171536346 /nfs/dbraw/zinc/53/63/46/1171536346.db2.gz PVYSHTSCJSOLAH-NHYWBVRUSA-N 1 0 322.365 0.578 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001629080447 1171540883 /nfs/dbraw/zinc/54/08/83/1171540883.db2.gz NEZYBTMRLGSQRC-UHFFFAOYSA-N 1 0 311.342 0.270 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001636885129 1171751498 /nfs/dbraw/zinc/75/14/98/1171751498.db2.gz ULHXNGZXAFGDEB-NEPJUHHUSA-N 1 0 308.338 0.594 20 5 DCBDRO C[N@@H+]1C[C@@]2(C)CN(c3ncc([N+](=O)[O-])cc3C(N)=O)C[C@@]2(C)C1 ZINC001651302175 1173745741 /nfs/dbraw/zinc/74/57/41/1173745741.db2.gz ZVBISEUTKHBHMY-GASCZTMLSA-N 1 0 319.365 0.867 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3nccc(C(N)=O)c3[N+](=O)[O-])[C@H]2C1 ZINC001651524640 1173750528 /nfs/dbraw/zinc/75/05/28/1173750528.db2.gz BWDZCIATFOZLIU-INTQDDNPSA-N 1 0 305.338 0.841 20 5 DCBDRO CC(C)(O)C[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001653493976 1173788679 /nfs/dbraw/zinc/78/86/79/1173788679.db2.gz HXBZLFAHNHVECW-LBPRGKRZSA-N 1 0 312.370 0.950 20 5 DCBDRO Cn1nccc1C1(O)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001654686037 1173809536 /nfs/dbraw/zinc/80/95/36/1173809536.db2.gz YJKYPSCDSVDNFW-UHFFFAOYSA-N 1 0 320.353 0.508 20 5 DCBDRO CNC(=O)N[C@@H]1CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001654781471 1173811474 /nfs/dbraw/zinc/81/14/74/1173811474.db2.gz MIIRMNGTEJBKJL-LLVKDONJSA-N 1 0 310.358 0.493 20 5 DCBDRO COC(=O)[C@]12C[C@H]1CCCN2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001654870543 1173812738 /nfs/dbraw/zinc/81/27/38/1173812738.db2.gz DCXZROXGEZXFTI-QKCSRTOESA-N 1 0 324.337 0.180 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(CO)(CO)CC2)c1 ZINC001660071065 1173939828 /nfs/dbraw/zinc/93/98/28/1173939828.db2.gz MHTJRAPZLYDABZ-AWEZNQCLSA-N 1 0 310.350 0.695 20 5 DCBDRO O=C(NCC1([NH2+]Cc2cncs2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001673164335 1175176703 /nfs/dbraw/zinc/17/67/03/1175176703.db2.gz PUATUSGOJNVULE-GHMZBOCLSA-N 1 0 310.379 0.937 20 5 DCBDRO Cc1n[nH]nc1C(=O)N(C)CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001714742754 1181518925 /nfs/dbraw/zinc/51/89/25/1181518925.db2.gz XWNUKHFLBKCXTE-UHFFFAOYSA-N 1 0 324.366 0.945 20 5 DCBDRO NC(=O)CC(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001715796687 1182007045 /nfs/dbraw/zinc/00/70/45/1182007045.db2.gz BUNXMHGRTASCDY-UPHRSURJSA-N 1 0 306.322 0.232 20 5 DCBDRO Cc1ccncc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732850565 1186012339 /nfs/dbraw/zinc/01/23/39/1186012339.db2.gz XAMGMHSTGQXWRY-DTSKHDKYSA-N 1 0 304.350 0.817 20 5 DCBDRO Cc1noc(CCC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC001733243468 1186198901 /nfs/dbraw/zinc/19/89/01/1186198901.db2.gz SLKPSGQVSJCCOT-GHMZBOCLSA-N 1 0 323.353 0.214 20 5 DCBDRO Cn1ccc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n1 ZINC001733716251 1186412778 /nfs/dbraw/zinc/41/27/78/1186412778.db2.gz HMEBLLWCNMRKQS-VXGBXAGGSA-N 1 0 307.354 0.214 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC001164669329 719382505 /nfs/dbraw/zinc/38/25/05/719382505.db2.gz UTVULMKKVPUGNZ-GHMZBOCLSA-N 1 0 309.282 0.417 20 5 DCBDRO Cc1nc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001164932866 721886749 /nfs/dbraw/zinc/88/67/49/721886749.db2.gz KDAPWALXYCRSHY-QWHCGFSZSA-N 1 0 320.397 0.908 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1cc([N+](=O)[O-])c2nncn2c1 ZINC001167900695 748475470 /nfs/dbraw/zinc/47/54/70/748475470.db2.gz HXMYUTCXMIVGSR-SECBINFHSA-N 1 0 308.298 0.330 20 5 DCBDRO CCn1ncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001126706148 749627247 /nfs/dbraw/zinc/62/72/47/749627247.db2.gz HKPZBMNQIGODAH-UHFFFAOYSA-N 1 0 318.337 0.726 20 5 DCBDRO Cc1nn(C)c(Cl)c1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126931847 750142694 /nfs/dbraw/zinc/14/26/94/750142694.db2.gz BSJFQOFUDZTDEH-PSASIEDQSA-N 1 0 315.761 0.253 20 5 DCBDRO COc1ccc(OCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126943719 750157183 /nfs/dbraw/zinc/15/71/83/750157183.db2.gz VMLQFOURTKFBFY-ZIAGYGMSSA-N 1 0 323.349 0.445 20 5 DCBDRO Cn1ccc(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001126966654 750286290 /nfs/dbraw/zinc/28/62/90/750286290.db2.gz WJXSOCXHUFVNOU-UHFFFAOYSA-N 1 0 317.349 0.777 20 5 DCBDRO CS(=O)(=O)c1ccc(-n2ccnc2C(N)=[NH2+])c([N+](=O)[O-])c1 ZINC001168419660 750717844 /nfs/dbraw/zinc/71/78/44/750717844.db2.gz IUXJEEVEYNLBBH-UHFFFAOYSA-N 1 0 309.307 0.468 20 5 DCBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2c[n+]([O-])ccc2[N+](=O)[O-])O1 ZINC001170276612 762584844 /nfs/dbraw/zinc/58/48/44/762584844.db2.gz FUOZFALQKQJSLR-JHJVBQTASA-N 1 0 312.326 0.365 20 5 DCBDRO CN(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])C1(C)COC1 ZINC001166984419 758000897 /nfs/dbraw/zinc/00/08/97/758000897.db2.gz HVZQHLNOKDXAOL-UHFFFAOYSA-N 1 0 308.342 0.020 20 5 DCBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CNC(=O)CO2)c([N+](=O)[O-])c1 ZINC001170304887 762596997 /nfs/dbraw/zinc/59/69/97/762596997.db2.gz HIXOURMJVPPPDI-GXFFZTMASA-N 1 0 323.349 0.639 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@H]1C[N@H+](C)CCN1C ZINC000823784651 758273292 /nfs/dbraw/zinc/27/32/92/758273292.db2.gz OFMGAWUKSYROII-GXFFZTMASA-N 1 0 307.354 0.354 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cncs2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084307 759694181 /nfs/dbraw/zinc/69/41/81/759694181.db2.gz LROCBIIPOMOAQG-RBLKWDMZSA-N 1 0 310.379 0.793 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cc[n+]([O-])cc1 ZINC001123041284 767919197 /nfs/dbraw/zinc/91/91/97/767919197.db2.gz TYURBOYEVNKJOH-UHFFFAOYSA-N 1 0 322.346 0.809 20 5 DCBDRO Cc1ccnc(N(C)CCNC(=O)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001100115237 760314167 /nfs/dbraw/zinc/31/41/67/760314167.db2.gz FLABGOLSRKVSGN-UHFFFAOYSA-N 1 0 321.381 0.946 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001168817336 760458222 /nfs/dbraw/zinc/45/82/22/760458222.db2.gz JVMIAEOLUIXXNS-VIFPVBQESA-N 1 0 317.305 0.778 20 5 DCBDRO [NH3+]Cc1nnnn1-c1nc2cc([N+](=O)[O-])ccc2nc1Cl ZINC001168918989 760513017 /nfs/dbraw/zinc/51/30/17/760513017.db2.gz PRNFQKIPVPBRKE-UHFFFAOYSA-N 1 0 306.673 0.626 20 5 DCBDRO [NH3+]Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168959194 760531857 /nfs/dbraw/zinc/53/18/57/760531857.db2.gz UOEHTCPLBLRSLV-NEPJUHHUSA-N 1 0 313.379 0.869 20 5 DCBDRO COC(=O)COc1c(C)cc(-n2nncc2C[NH3+])cc1[N+](=O)[O-] ZINC001169311596 760642969 /nfs/dbraw/zinc/64/29/69/760642969.db2.gz LVQGCDJTFQDLRJ-UHFFFAOYSA-N 1 0 321.293 0.494 20 5 DCBDRO COc1nc(SC)nc(NC[C@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001170036011 761639457 /nfs/dbraw/zinc/63/94/57/761639457.db2.gz SXXDDHDDMPJQCD-ZETCQYMHSA-N 1 0 315.355 0.516 20 5 DCBDRO CC(=O)N(C)CC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001123810208 768060561 /nfs/dbraw/zinc/06/05/61/768060561.db2.gz JISORKNNJJVEDC-UHFFFAOYSA-N 1 0 308.338 0.279 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnns1 ZINC001124163877 768155623 /nfs/dbraw/zinc/15/56/23/768155623.db2.gz RBJCKMUEQFTRGB-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO COC(=O)NCC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124181170 768162820 /nfs/dbraw/zinc/16/28/20/768162820.db2.gz BODNJUGNYARCPX-UHFFFAOYSA-N 1 0 316.339 0.218 20 5 DCBDRO CCOC(=O)c1cnc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170564320 763839474 /nfs/dbraw/zinc/83/94/74/763839474.db2.gz PVVNEGOGTZQHFK-CABZTGNLSA-N 1 0 324.337 0.955 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001134085741 765334963 /nfs/dbraw/zinc/33/49/63/765334963.db2.gz VLFJGEAOVNSZTH-GFCCVEGCSA-N 1 0 323.353 0.161 20 5 DCBDRO C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000697578836 765482598 /nfs/dbraw/zinc/48/25/98/765482598.db2.gz BRRSWABEULECTA-JOYOIKCWSA-N 1 0 302.352 0.651 20 5 DCBDRO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)c1nn(C)cc1[N+](=O)[O-] ZINC001116633891 765890805 /nfs/dbraw/zinc/89/08/05/765890805.db2.gz LSCQRYKTBZWYER-LLVKDONJSA-N 1 0 324.385 0.084 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NCCCN2CC[NH+](C)CC2)n1 ZINC001135877409 766150004 /nfs/dbraw/zinc/15/00/04/766150004.db2.gz JONSUQRPHRJXDL-UHFFFAOYSA-N 1 0 324.385 0.179 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])c(OC)nc1C ZINC001170995031 766379260 /nfs/dbraw/zinc/37/92/60/766379260.db2.gz FIMWSRUWFNITEA-UHFFFAOYSA-N 1 0 312.326 0.635 20 5 DCBDRO CC(C)C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)N(C)C ZINC001120571311 767082335 /nfs/dbraw/zinc/08/23/35/767082335.db2.gz ZPWSCTSESBGPFK-JSGCOSHPSA-N 1 0 313.402 0.718 20 5 DCBDRO CC(C)(C)OC(=O)N1CCC(CO)([NH2+]CC[N+](=O)[O-])CC1 ZINC001171259666 767324251 /nfs/dbraw/zinc/32/42/51/767324251.db2.gz YTUSIQUMTQUXFR-UHFFFAOYSA-N 1 0 303.359 0.615 20 5 DCBDRO CCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001121699996 767623104 /nfs/dbraw/zinc/62/31/04/767623104.db2.gz MATXESDFOURTFV-UHFFFAOYSA-N 1 0 324.385 0.376 20 5 DCBDRO C[NH+](C)CCCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001093194623 768485403 /nfs/dbraw/zinc/48/54/03/768485403.db2.gz VBPINHZRAOMOHH-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO O=C(NCCNc1ccc([N+](=O)[O-])cn1)C12CC[NH+](CC1)C2 ZINC001093768928 768719845 /nfs/dbraw/zinc/71/98/45/768719845.db2.gz QPCUTDPNYGBISQ-UHFFFAOYSA-N 1 0 305.338 0.614 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1Nc1nccnc1C[NH3+] ZINC001171449143 769105367 /nfs/dbraw/zinc/10/53/67/769105367.db2.gz PIHBXFQDQDKAHA-UHFFFAOYSA-N 1 0 304.266 0.769 20 5 DCBDRO C[NH+](C)CCC(=O)N1CCCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001095204775 769650504 /nfs/dbraw/zinc/65/05/04/769650504.db2.gz DYYHMQHYAQVZDR-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO O=C1OC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]12 ZINC001175113061 769859747 /nfs/dbraw/zinc/85/97/47/769859747.db2.gz XJCXBTDAHHNFIK-TUAOUCFPSA-N 1 0 322.317 0.439 20 5 DCBDRO Cn1cccc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154711870 770273808 /nfs/dbraw/zinc/27/38/08/770273808.db2.gz GRIUBNXWRBETEU-UHFFFAOYSA-N 1 0 320.353 0.577 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CC(F)(F)F ZINC001155356619 770476014 /nfs/dbraw/zinc/47/60/14/770476014.db2.gz RYYDLOHZKZLLCB-UHFFFAOYSA-N 1 0 323.275 0.877 20 5 DCBDRO [NH3+]CC1CN([C@H]2CCCN(c3ncc(F)cc3[N+](=O)[O-])C2)C1 ZINC001155372734 770479935 /nfs/dbraw/zinc/47/99/35/770479935.db2.gz JWRIDFPXNLJYKT-LBPRGKRZSA-N 1 0 309.345 0.988 20 5 DCBDRO CCc1nccn1CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001177515046 770481025 /nfs/dbraw/zinc/48/10/25/770481025.db2.gz YIYMXTGDTLVPQU-UHFFFAOYSA-N 1 0 319.321 0.332 20 5 DCBDRO Cc1nc[nH]c1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001177564713 770495872 /nfs/dbraw/zinc/49/58/72/770495872.db2.gz XSWXCLVGKVZPJI-UHFFFAOYSA-N 1 0 321.341 0.270 20 5 DCBDRO COC(=O)c1cnc(N[C@H]2COCCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155462020 770509978 /nfs/dbraw/zinc/50/99/78/770509978.db2.gz OAZKVIUCTAIRKK-NSHDSACASA-N 1 0 322.321 0.567 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cnc3ccc([N+](=O)[O-])cc3n2)N1 ZINC001155570698 770547390 /nfs/dbraw/zinc/54/73/90/770547390.db2.gz OVRJNDJHHGLURN-SMDDNHRTSA-N 1 0 314.305 0.528 20 5 DCBDRO COc1nc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)nc(OC)c1[N+](=O)[O-] ZINC001155585574 770556072 /nfs/dbraw/zinc/55/60/72/770556072.db2.gz AXKHLXYXGIGBML-VGMNWLOBSA-N 1 0 309.326 0.812 20 5 DCBDRO [NH3+]CCN(CCO)C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001155949252 770669885 /nfs/dbraw/zinc/66/98/85/770669885.db2.gz GSSDBALTXYUAGQ-UHFFFAOYSA-N 1 0 310.688 0.946 20 5 DCBDRO COC(=O)C1(Nc2cc(OC)c([N+](=O)[O-])cn2)CC[NH2+]CC1 ZINC001156529927 770847946 /nfs/dbraw/zinc/84/79/46/770847946.db2.gz WSJDHMBBRQIZPB-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO NC(=O)C(=O)NCCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001179436184 771004672 /nfs/dbraw/zinc/00/46/72/771004672.db2.gz PVUPVCWFLWJGDS-UHFFFAOYSA-N 1 0 322.365 0.846 20 5 DCBDRO N=C(NCCCC[NH3+])Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-] ZINC001157096352 771533345 /nfs/dbraw/zinc/53/33/45/771533345.db2.gz HMTNXNZJQVXOOX-UHFFFAOYSA-N 1 0 302.722 0.557 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CN[C@H](C(=O)OC)C1 ZINC001158253751 771745478 /nfs/dbraw/zinc/74/54/78/771745478.db2.gz ACBSKBBRAUYISE-XCBNKYQSSA-N 1 0 324.293 0.092 20 5 DCBDRO Nc1nc(NCc2ncn3c2C[NH2+]CCC3)ccc1[N+](=O)[O-] ZINC001158358983 771763766 /nfs/dbraw/zinc/76/37/66/771763766.db2.gz BGRDNTXLMVXBEP-UHFFFAOYSA-N 1 0 303.326 0.874 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001158634272 771796993 /nfs/dbraw/zinc/79/69/93/771796993.db2.gz AWCVFQCSBWVVQH-IINYFYTJSA-N 1 0 306.322 0.721 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001158634619 771797076 /nfs/dbraw/zinc/79/70/76/771797076.db2.gz GJGHAFAUYSEQDX-BXUZGUMPSA-N 1 0 321.337 0.425 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001158635334 771797642 /nfs/dbraw/zinc/79/76/42/771797642.db2.gz GRBWQYDYYVJOBR-RISCZKNCSA-N 1 0 306.322 0.721 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001158640563 771799855 /nfs/dbraw/zinc/79/98/55/771799855.db2.gz HAQWWNHRBKJXTL-SMDDNHRTSA-N 1 0 321.337 0.303 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001158643782 771800184 /nfs/dbraw/zinc/80/01/84/771800184.db2.gz WKALTFATUWJYDU-SMDDNHRTSA-N 1 0 321.337 0.425 20 5 DCBDRO CN(C)/C=C/c1cc(NC[C@H]2COCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001159043852 771851301 /nfs/dbraw/zinc/85/13/01/771851301.db2.gz IPCJQBHQZBWBAR-PYEVWLCESA-N 1 0 307.354 0.922 20 5 DCBDRO COc1ncnc(N[C@@]2(C[NH3+])CN3CCC2CC3)c1[N+](=O)[O-] ZINC001160514116 772055108 /nfs/dbraw/zinc/05/51/08/772055108.db2.gz UCPRQCCCBQNGFQ-ZDUSSCGKSA-N 1 0 308.342 0.228 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC001162124962 772329653 /nfs/dbraw/zinc/32/96/53/772329653.db2.gz RRSFJIIGMROSSB-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ccnc2c1cccc2[N+](=O)[O-] ZINC001162131489 772331046 /nfs/dbraw/zinc/33/10/46/772331046.db2.gz WERIHXDWZVBQCM-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC001162567707 772392673 /nfs/dbraw/zinc/39/26/73/772392673.db2.gz CYCKFSRUBDXXMX-JOYOIKCWSA-N 1 0 305.338 0.738 20 5 DCBDRO NC(=O)c1nc(NC[C@@]2(F)CCCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001162573764 772393904 /nfs/dbraw/zinc/39/39/04/772393904.db2.gz UIMAXIHXKXPGAX-CYBMUJFWSA-N 1 0 311.317 0.982 20 5 DCBDRO Cc1c[n+]([O-])c(NCc2nnc3n2CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC001163011172 772442835 /nfs/dbraw/zinc/44/28/35/772442835.db2.gz DRGICYDBRWTPQR-UHFFFAOYSA-N 1 0 319.325 0.234 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163148055 772472286 /nfs/dbraw/zinc/47/22/86/772472286.db2.gz ZUCYOZIXWOHFNK-UFBFGSQYSA-N 1 0 314.729 0.530 20 5 DCBDRO O=[N+]([O-])c1c[nH]c2ncnc(NC[C@@H]3OC[C@H]4C[NH2+]CC[C@H]43)c12 ZINC001163164357 772476005 /nfs/dbraw/zinc/47/60/05/772476005.db2.gz SXGCAMIISIVFEK-KKZNHRDASA-N 1 0 318.337 0.903 20 5 DCBDRO Cc1c[n+]([O-])c(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)cc1[N+](=O)[O-] ZINC001163164555 772476206 /nfs/dbraw/zinc/47/62/06/772476206.db2.gz XBIDLSJUWLDLOA-NQBHXWOUSA-N 1 0 308.338 0.573 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2ncc3cccc([N+](=O)[O-])c3n2)N1 ZINC001163243236 772489521 /nfs/dbraw/zinc/48/95/21/772489521.db2.gz RVUYYQHPQHZZDM-QMTHXVAHSA-N 1 0 314.305 0.528 20 5 DCBDRO COc1nc(C)c(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163250320 772490788 /nfs/dbraw/zinc/49/07/88/772490788.db2.gz NHRJFYHFEIZWPY-GWCFXTLKSA-N 1 0 307.310 0.297 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001164380858 772652805 /nfs/dbraw/zinc/65/28/05/772652805.db2.gz XZSFSSYFPTYBEY-GDNZZTSVSA-N 1 0 321.381 0.970 20 5 DCBDRO Nc1nc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)ccc1[N+](=O)[O-] ZINC001165340350 772724390 /nfs/dbraw/zinc/72/43/90/772724390.db2.gz BDZROVSBAVTNAA-CQSZACIVSA-N 1 0 323.353 0.157 20 5 DCBDRO COc1ncnc(-n2c(C)nc3c2CC[NH2+]CC3)c1[N+](=O)[O-] ZINC001165353670 772727701 /nfs/dbraw/zinc/72/77/01/772727701.db2.gz UTOPZKGGIJGNGK-UHFFFAOYSA-N 1 0 304.310 0.576 20 5 DCBDRO COc1nc(SC)nc(-n2ccnc2CC[NH3+])c1[N+](=O)[O-] ZINC001166276396 772797378 /nfs/dbraw/zinc/79/73/78/772797378.db2.gz JFPJTWJNXGEWKJ-UHFFFAOYSA-N 1 0 310.339 0.802 20 5 DCBDRO C[C@@H]1C[C@H](O)CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001166962934 772890683 /nfs/dbraw/zinc/89/06/83/772890683.db2.gz YJHGSMKGMFIKSY-GHMZBOCLSA-N 1 0 322.369 0.144 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncnc2cccc([N+](=O)[O-])c21 ZINC001166967242 772892197 /nfs/dbraw/zinc/89/21/97/772892197.db2.gz CSWGZFYHQRAVNE-KCJUWKMLSA-N 1 0 317.305 0.617 20 5 DCBDRO CS(=O)(=O)N(c1ccc2ccc([N+](=O)[O-])cc2n1)C1C[NH2+]C1 ZINC001166967093 772892213 /nfs/dbraw/zinc/89/22/13/772892213.db2.gz ATIAHGAMHZWFIW-UHFFFAOYSA-N 1 0 322.346 0.881 20 5 DCBDRO COC(=O)c1csc(COC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001223010979 775452026 /nfs/dbraw/zinc/45/20/26/775452026.db2.gz QTVZBDDNOHLLSM-SECBINFHSA-N 1 0 317.387 0.430 20 5 DCBDRO CC(=O)Nc1ccc(O)c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001229721423 776217921 /nfs/dbraw/zinc/21/79/21/776217921.db2.gz VZXIJWZNVZNDDP-GFCCVEGCSA-O 1 0 311.358 0.713 20 5 DCBDRO Cc1cc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)on1 ZINC001154554799 944151581 /nfs/dbraw/zinc/15/15/81/944151581.db2.gz GZKGSOVCGGVQKF-UHFFFAOYSA-N 1 0 322.325 0.534 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cccn1C ZINC001317567454 945059655 /nfs/dbraw/zinc/05/96/55/945059655.db2.gz RVEJSHRZPWOLHW-UHFFFAOYSA-N 1 0 320.353 0.529 20 5 DCBDRO [NH3+][C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[C@H]1O ZINC001246566652 945432323 /nfs/dbraw/zinc/43/23/23/945432323.db2.gz IPPCGCFSDFLJQS-HZPDHXFCSA-N 1 0 320.393 0.958 20 5 DCBDRO COc1ccc(C[C@H](C)N2CC[C@@H]([NH3+])[C@H](O)C2)c([N+](=O)[O-])c1 ZINC001246565589 945432964 /nfs/dbraw/zinc/43/29/64/945432964.db2.gz IAHVEMWDUDQLHW-PSOPSSQASA-N 1 0 309.366 0.928 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CN(S(C)(=O)=O)C1 ZINC001254538462 946406007 /nfs/dbraw/zinc/40/60/07/946406007.db2.gz VQXMGIHLYUONOE-SNVBAGLBSA-N 1 0 313.379 0.759 20 5 DCBDRO COC(=O)CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254542753 946406552 /nfs/dbraw/zinc/40/65/52/946406552.db2.gz APJPZHZMAHNCSK-JQWIXIFHSA-N 1 0 323.349 0.923 20 5 DCBDRO C[C@@]1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC(=O)NC1=O ZINC001254577045 946409721 /nfs/dbraw/zinc/40/97/21/946409721.db2.gz BSJPULAAECWLRL-XHDPSFHLSA-N 1 0 303.318 0.847 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCOCC1 ZINC001323238575 946992351 /nfs/dbraw/zinc/99/23/51/946992351.db2.gz NOFQKYSKSVRFGB-UHFFFAOYSA-N 1 0 311.342 0.171 20 5 DCBDRO C[NH+]1CCN(c2ccccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001261364807 947262267 /nfs/dbraw/zinc/26/22/67/947262267.db2.gz WMTQDTYCAGIGQO-UKRRQHHQSA-N 1 0 318.377 0.720 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)CN2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC001261503748 947321852 /nfs/dbraw/zinc/32/18/52/947321852.db2.gz KHKUJPNNXOVJKD-HUUCEWRRSA-N 1 0 307.350 0.379 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001261643191 947382393 /nfs/dbraw/zinc/38/23/93/947382393.db2.gz JVTAZAQPEMUKFL-ZIAGYGMSSA-N 1 0 305.334 0.843 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001263255030 947826994 /nfs/dbraw/zinc/82/69/94/947826994.db2.gz RYRHKEFFOVPTEJ-CQSZACIVSA-N 1 0 307.350 0.974 20 5 DCBDRO C[C@@H](C[NH2+]Cc1cn(CC(N)=O)nn1)c1ccccc1[N+](=O)[O-] ZINC001179686199 947885761 /nfs/dbraw/zinc/88/57/61/947885761.db2.gz UOAIJORMFNDLDK-JTQLQIEISA-N 1 0 318.337 0.565 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)C[NH2+]CC2 ZINC001326028249 948024906 /nfs/dbraw/zinc/02/49/06/948024906.db2.gz ZQOLKKXJGAUXIQ-UHFFFAOYSA-N 1 0 315.333 0.867 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001329473544 949624038 /nfs/dbraw/zinc/62/40/38/949624038.db2.gz OLMWXTGFCCLBBO-UHFFFAOYSA-N 1 0 322.365 0.274 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001329823525 949901137 /nfs/dbraw/zinc/90/11/37/949901137.db2.gz XRSKNPJEDHXOEG-QWRGUYRKSA-N 1 0 322.365 0.805 20 5 DCBDRO CN(CC[NH3+])C(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001331486156 951138272 /nfs/dbraw/zinc/13/82/72/951138272.db2.gz DVNFAYBIYGYJQF-UHFFFAOYSA-N 1 0 314.729 0.282 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001331732654 951276608 /nfs/dbraw/zinc/27/66/08/951276608.db2.gz YHRACAOPGDSZPB-SNVBAGLBSA-N 1 0 308.338 0.059 20 5 DCBDRO Cc1cc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC001337176792 952824314 /nfs/dbraw/zinc/82/43/14/952824314.db2.gz LUMNCOGBZVXWIE-UHFFFAOYSA-N 1 0 308.338 0.862 20 5 DCBDRO C[C@@H]1CN(c2nnc(C[N+](=O)[O-])n2C)CC[N@@H+](C2CCC2)C1 ZINC001338061380 952956840 /nfs/dbraw/zinc/95/68/40/952956840.db2.gz ZVPSMIBNMOEOOD-NSHDSACASA-N 1 0 308.386 0.902 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001490882181 953149786 /nfs/dbraw/zinc/14/97/86/953149786.db2.gz XUWRJCIJDOZAKA-XYPYZODXSA-N 1 0 306.322 0.207 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001340729108 953191363 /nfs/dbraw/zinc/19/13/63/953191363.db2.gz RHMBRDLWHIEVJP-CYBMUJFWSA-N 1 0 307.350 0.710 20 5 DCBDRO C[C@@H]([NH3+])CONC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC001341237841 953218791 /nfs/dbraw/zinc/21/87/91/953218791.db2.gz DEOKWKFLOBWBOT-SNVBAGLBSA-N 1 0 324.337 0.440 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC001343337862 953338494 /nfs/dbraw/zinc/33/84/94/953338494.db2.gz WWBPUUKAJAXJKV-RISCZKNCSA-N 1 0 306.366 0.984 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001344387925 953479048 /nfs/dbraw/zinc/47/90/48/953479048.db2.gz RIFBOEVHPLLYSH-NSHDSACASA-N 1 0 310.354 0.070 20 5 DCBDRO CN(C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001346348542 953863576 /nfs/dbraw/zinc/86/35/76/953863576.db2.gz ZDWDGYSDZYFYPO-WOFXILAISA-N 1 0 305.290 0.613 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001347429006 954091578 /nfs/dbraw/zinc/09/15/78/954091578.db2.gz OBDNXOREHGWALD-CQSZACIVSA-N 1 0 308.338 0.437 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001350863264 955207186 /nfs/dbraw/zinc/20/71/86/955207186.db2.gz ZJLBUZRBONTTMV-NHYWBVRUSA-N 1 0 316.361 0.872 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC001351259374 955274285 /nfs/dbraw/zinc/27/42/85/955274285.db2.gz DTDKWJSUOWJOKY-LLVKDONJSA-N 1 0 309.370 0.948 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC001352549742 955666315 /nfs/dbraw/zinc/66/63/15/955666315.db2.gz OHAKRVRCRMYOTP-AWEZNQCLSA-N 1 0 311.313 0.873 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001355231927 956620538 /nfs/dbraw/zinc/62/05/38/956620538.db2.gz GBCDFEQLKWSEFW-UHFFFAOYSA-N 1 0 322.369 0.073 20 5 DCBDRO C[C@H]1CN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC001356582873 956900105 /nfs/dbraw/zinc/90/01/05/956900105.db2.gz HHVTUAKVBGGSEY-WFASDCNBSA-N 1 0 309.366 0.939 20 5 DCBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC001305874079 960115833 /nfs/dbraw/zinc/11/58/33/960115833.db2.gz MPNMVGPPQKZSRN-ATZCPNFKSA-N 1 0 307.354 0.950 20 5 DCBDRO CC[NH+]1CCN(C2CN(C(=O)CCC(C)(C)[N+](=O)[O-])C2)CC1 ZINC001529092558 1014495136 /nfs/dbraw/zinc/49/51/36/1014495136.db2.gz CIVJWXBCBHVMQQ-UHFFFAOYSA-N 1 0 312.414 0.670 20 5 DCBDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC001532524355 1015359012 /nfs/dbraw/zinc/35/90/12/1015359012.db2.gz QTZBMWJOTAQFIO-ZYHUDNBSSA-N 1 0 306.322 0.451 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC001471373369 1016564432 /nfs/dbraw/zinc/56/44/32/1016564432.db2.gz KVHKQGXVXWLSII-CQSZACIVSA-N 1 0 308.338 0.316 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)n1 ZINC001472548184 1016824288 /nfs/dbraw/zinc/82/42/88/1016824288.db2.gz VFVKVGFZLMOLFF-AWEZNQCLSA-N 1 0 310.354 0.731 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001545709850 1005557947 /nfs/dbraw/zinc/55/79/47/1005557947.db2.gz MNKCMHGGRSJIEQ-PSASIEDQSA-N 1 0 305.338 0.927 20 5 DCBDRO CN(C)CC[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001556897014 1012238851 /nfs/dbraw/zinc/23/88/51/1012238851.db2.gz BMGQAZPZVZCTPK-UHFFFAOYSA-N 1 0 323.397 0.790 20 5 DCBDRO C[C@H]1[C@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001558424809 1012356990 /nfs/dbraw/zinc/35/69/90/1012356990.db2.gz BKZBFOLSGYKCGX-CMPLNLGQSA-N 1 0 321.333 0.995 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCCC[C@@]23CCOC3)c1 ZINC001560232851 1012446769 /nfs/dbraw/zinc/44/67/69/1012446769.db2.gz JTPHQIMQPOSTMP-KGLIPLIRSA-N 1 0 310.354 0.797 20 5 DCBDRO O=c1ccc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC001461735375 1013038556 /nfs/dbraw/zinc/03/85/56/1013038556.db2.gz QGLXSAUGDPLFJN-UKRRQHHQSA-N 1 0 319.317 0.880 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C)C1 ZINC001516689680 1017154150 /nfs/dbraw/zinc/15/41/50/1017154150.db2.gz MLESAIALWGQJGU-NSHDSACASA-N 1 0 320.349 0.970 20 5 DCBDRO Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sn1 ZINC001497585852 1018252858 /nfs/dbraw/zinc/25/28/58/1018252858.db2.gz ZRUPBCCVAQRSKW-JDEDCZITSA-N 1 0 310.379 0.879 20 5 DCBDRO CN(CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ncccn1 ZINC001502193032 1019802390 /nfs/dbraw/zinc/80/23/90/1019802390.db2.gz NYWAFBPMPGFPRF-VXGBXAGGSA-N 1 0 307.354 0.422 20 5 DCBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000157352980 529808710 /nfs/dbraw/zinc/80/87/10/529808710.db2.gz ZKAZSZPBPVWQPI-MNOVXSKESA-N 1 0 308.342 0.129 20 5 DCBDRO C[NH+](C)C1(CNC(=O)Cn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000172199652 198056942 /nfs/dbraw/zinc/05/69/42/198056942.db2.gz PZNHOVKUTHLIHY-UHFFFAOYSA-N 1 0 311.342 0.018 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000174675643 198368864 /nfs/dbraw/zinc/36/88/64/198368864.db2.gz LCHDZWNTHDWVQJ-MNOVXSKESA-N 1 0 307.354 0.945 20 5 DCBDRO [NH3+]CCCCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000181062095 199246905 /nfs/dbraw/zinc/24/69/05/199246905.db2.gz SRPCECFRWBDTTA-UHFFFAOYSA-N 1 0 304.310 0.644 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCCOCC1 ZINC000189354926 237396744 /nfs/dbraw/zinc/39/67/44/237396744.db2.gz VTJZTMOYAXMGHD-UHFFFAOYSA-N 1 0 323.349 0.812 20 5 DCBDRO CC(C)(C)NC(=O)CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000317407108 291255080 /nfs/dbraw/zinc/25/50/80/291255080.db2.gz MRPSHNSVPWDEDA-LLVKDONJSA-N 1 0 313.358 0.047 20 5 DCBDRO COCC1(CNC(=O)c2cc([N+](=O)[O-])cn2C)CC[NH2+]CC1 ZINC000319021371 291255946 /nfs/dbraw/zinc/25/59/46/291255946.db2.gz QXDVRMRSOYTCKK-UHFFFAOYSA-N 1 0 310.354 0.679 20 5 DCBDRO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000566116088 291271882 /nfs/dbraw/zinc/27/18/82/291271882.db2.gz TYNAVGSBBGBYFG-OCCSQVGLSA-N 1 0 323.349 0.545 20 5 DCBDRO C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000566215361 291283527 /nfs/dbraw/zinc/28/35/27/291283527.db2.gz YPRMPZPJCWSDCE-SECBINFHSA-N 1 0 300.340 0.220 20 5 DCBDRO CCN(C)C(=O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566616125 291314902 /nfs/dbraw/zinc/31/49/02/291314902.db2.gz KYVVPKJDZARTHW-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000566668291 291317305 /nfs/dbraw/zinc/31/73/05/291317305.db2.gz OYULTKYWIOPXDI-CYBMUJFWSA-N 1 0 320.349 0.421 20 5 DCBDRO C[C@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000420586141 240047471 /nfs/dbraw/zinc/04/74/71/240047471.db2.gz OLVDAOUYWOJBJO-LLVKDONJSA-N 1 0 321.381 0.742 20 5 DCBDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000567671327 291367677 /nfs/dbraw/zinc/36/76/77/291367677.db2.gz QZUBUPLHQKMGAV-LLVKDONJSA-N 1 0 308.338 0.261 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000264816844 204178400 /nfs/dbraw/zinc/17/84/00/204178400.db2.gz ZCPAIEASYIGYHW-GFCCVEGCSA-N 1 0 321.381 0.369 20 5 DCBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCNC1=O ZINC000282482090 217027903 /nfs/dbraw/zinc/02/79/03/217027903.db2.gz VLGPPHXJFCBPJY-JSGCOSHPSA-N 1 0 323.349 0.545 20 5 DCBDRO CC[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@H](C)C1 ZINC000288472011 220164284 /nfs/dbraw/zinc/16/42/84/220164284.db2.gz OSVSUYPVQCCYSN-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274108548 211363396 /nfs/dbraw/zinc/36/33/96/211363396.db2.gz VKBZEEBMXIPGSF-JFGNBEQYSA-N 1 0 314.342 0.330 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000050241879 183778467 /nfs/dbraw/zinc/77/84/67/183778467.db2.gz OQCAAWLUFJQZIF-MRVPVSSYSA-N 1 0 301.324 0.325 20 5 DCBDRO COCC[NH2+]CCNC(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC000237277149 285077864 /nfs/dbraw/zinc/07/78/64/285077864.db2.gz UCZIIAHGYSLPLM-UHFFFAOYSA-N 1 0 310.354 0.383 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)n1 ZINC000339414447 253081226 /nfs/dbraw/zinc/08/12/26/253081226.db2.gz YNXRZGCPAIPOEU-LBPRGKRZSA-N 1 0 321.341 0.212 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)n1 ZINC000339763157 253140167 /nfs/dbraw/zinc/14/01/67/253140167.db2.gz XQEGRCUSJNQPAZ-ZIAGYGMSSA-N 1 0 310.354 0.701 20 5 DCBDRO C[C@@]1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[NH2+]C1 ZINC000273015306 210396373 /nfs/dbraw/zinc/39/63/73/210396373.db2.gz PPARYWDGXAMAFN-CQSZACIVSA-N 1 0 308.338 0.262 20 5 DCBDRO C[NH+](C)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)C1 ZINC000352053382 254392954 /nfs/dbraw/zinc/39/29/54/254392954.db2.gz SPQQKNIBLBMXLI-NSHDSACASA-N 1 0 323.353 0.246 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000289693697 221160538 /nfs/dbraw/zinc/16/05/38/221160538.db2.gz KBIUNJSTOJNPEE-OLZOCXBDSA-N 1 0 321.381 0.866 20 5 DCBDRO CNS(=O)(=O)c1ccc(NCC2([NH3+])CCC2)c([N+](=O)[O-])c1 ZINC000234416383 395888310 /nfs/dbraw/zinc/88/83/10/395888310.db2.gz GYEBEQNFOBCPAQ-UHFFFAOYSA-N 1 0 314.367 0.796 20 5 DCBDRO CC[NH2+]CCNc1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000054267243 395896654 /nfs/dbraw/zinc/89/66/54/395896654.db2.gz WJWKMXLKIRUZPD-UHFFFAOYSA-N 1 0 316.383 0.867 20 5 DCBDRO CC(C)(CCCO)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000227961579 395870638 /nfs/dbraw/zinc/87/06/38/395870638.db2.gz IHDSUNWCTLUNOE-LBPRGKRZSA-N 1 0 300.359 0.541 20 5 DCBDRO C[NH2+][C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000053204777 395878395 /nfs/dbraw/zinc/87/83/95/395878395.db2.gz GUNFAIGXPRYJBP-VIFPVBQESA-N 1 0 314.367 0.430 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000247273262 395970875 /nfs/dbraw/zinc/97/08/75/395970875.db2.gz FPJBDNORXHCRKP-WCQYABFASA-N 1 0 309.370 0.980 20 5 DCBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261686905 396056222 /nfs/dbraw/zinc/05/62/22/396056222.db2.gz MWOQIBIXNCVISU-NSHDSACASA-N 1 0 310.379 0.776 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@@H]1C ZINC000261693705 396057201 /nfs/dbraw/zinc/05/72/01/396057201.db2.gz BRBUWYCLUKZCHM-JTQLQIEISA-N 1 0 308.338 0.836 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252412269 396018897 /nfs/dbraw/zinc/01/88/97/396018897.db2.gz NUYURLXKFYSCNF-GDGBQDQQSA-N 1 0 313.335 0.100 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCO1 ZINC000163149209 396086152 /nfs/dbraw/zinc/08/61/52/396086152.db2.gz QFZWAQDJDDVMLJ-CPCISQLKSA-N 1 0 312.301 0.504 20 5 DCBDRO Cn1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278306777 396117773 /nfs/dbraw/zinc/11/77/73/396117773.db2.gz DXDICZAVLNKUPK-ZIAGYGMSSA-N 1 0 318.333 0.533 20 5 DCBDRO COc1ccc(NC(=O)CN2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000262318596 396122882 /nfs/dbraw/zinc/12/28/82/396122882.db2.gz QRYYCCZZCHIWBM-UHFFFAOYSA-N 1 0 308.338 0.965 20 5 DCBDRO CO[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261953578 396083347 /nfs/dbraw/zinc/08/33/47/396083347.db2.gz WUUZQNBRBHDTFN-NWDGAFQWSA-N 1 0 322.365 0.971 20 5 DCBDRO NC(=O)c1ccc(SCC(=O)NCCC[NH3+])c([N+](=O)[O-])c1 ZINC000262476560 396144308 /nfs/dbraw/zinc/14/43/08/396144308.db2.gz NSWBDCYCQXHBKW-UHFFFAOYSA-N 1 0 312.351 0.251 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177046374 396165254 /nfs/dbraw/zinc/16/52/54/396165254.db2.gz BWKQGEHPHRUHEB-GXSJLCMTSA-N 1 0 307.354 0.841 20 5 DCBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)CN1CCOCC1 ZINC000078542339 396247393 /nfs/dbraw/zinc/24/73/93/396247393.db2.gz VCCRAXISMOSONI-HNNXBMFYSA-N 1 0 309.366 0.720 20 5 DCBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CN1CCOCC1 ZINC000078542340 396247556 /nfs/dbraw/zinc/24/75/56/396247556.db2.gz VCCRAXISMOSONI-OAHLLOKOSA-N 1 0 309.366 0.720 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179056105 396219576 /nfs/dbraw/zinc/21/95/76/396219576.db2.gz YFZYLFOENGEVLP-ZWNOBZJWSA-N 1 0 320.349 0.533 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000077817094 396233681 /nfs/dbraw/zinc/23/36/81/396233681.db2.gz AVJAAEAUANFKPB-NSHDSACASA-N 1 0 320.349 0.910 20 5 DCBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000083418718 396314416 /nfs/dbraw/zinc/31/44/16/396314416.db2.gz OGBJYJMZIXXPIS-LLVKDONJSA-N 1 0 300.384 0.980 20 5 DCBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN1CCOCC1 ZINC000083245407 396314532 /nfs/dbraw/zinc/31/45/32/396314532.db2.gz OQYSPRRDKRMNIM-HNNXBMFYSA-N 1 0 309.366 0.720 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000264482959 396284767 /nfs/dbraw/zinc/28/47/67/396284767.db2.gz WUMVXTJKPRMOKR-GFCCVEGCSA-N 1 0 306.366 0.961 20 5 DCBDRO C[C@@H](CC[NH+](C)C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000081765146 396307559 /nfs/dbraw/zinc/30/75/59/396307559.db2.gz ZFHIADAPLGXVLM-NSHDSACASA-N 1 0 322.365 0.781 20 5 DCBDRO COC[C@]1(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)CC[NH2+]C1 ZINC000580708708 396494496 /nfs/dbraw/zinc/49/44/96/396494496.db2.gz NULXEDWAFBZNPB-HNNXBMFYSA-N 1 0 323.349 0.716 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000595243735 396569567 /nfs/dbraw/zinc/56/95/67/396569567.db2.gz HDIXFKYKXWCWQF-SECBINFHSA-N 1 0 324.337 0.656 20 5 DCBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595680376 396648454 /nfs/dbraw/zinc/64/84/54/396648454.db2.gz ZYZSQCBDQZEWIU-KWCYVHTRSA-N 1 0 312.370 0.635 20 5 DCBDRO NC(=O)C1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000595730035 396653497 /nfs/dbraw/zinc/65/34/97/396653497.db2.gz ZIUYSOJYCULJDQ-UHFFFAOYSA-N 1 0 323.349 0.988 20 5 DCBDRO CN1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000584828600 396626631 /nfs/dbraw/zinc/62/66/31/396626631.db2.gz GGOZWUFPFCJZDE-AWEZNQCLSA-N 1 0 321.381 0.422 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562824417 396682905 /nfs/dbraw/zinc/68/29/05/396682905.db2.gz DFHCADGODFEDQJ-SNVBAGLBSA-N 1 0 306.322 0.031 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)C1CC([NH3+])C1 ZINC000295302790 396691225 /nfs/dbraw/zinc/69/12/25/396691225.db2.gz VENQUPOHYFDAGC-FJJSSXBZSA-N 1 0 320.349 0.661 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000295363495 396694441 /nfs/dbraw/zinc/69/44/41/396694441.db2.gz ZQECMMKBMZEPIT-SNVBAGLBSA-N 1 0 318.337 0.951 20 5 DCBDRO Nc1c(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cccc1[N+](=O)[O-] ZINC000588862459 396696010 /nfs/dbraw/zinc/69/60/10/396696010.db2.gz BRFBKASRIDNOAI-MNOVXSKESA-N 1 0 320.349 0.458 20 5 DCBDRO C[C@@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000563118629 396705872 /nfs/dbraw/zinc/70/58/72/396705872.db2.gz LBEXZIFQLIREPQ-ZJUUUORDSA-N 1 0 314.367 0.656 20 5 DCBDRO COc1cccc([N+](=O)[O-])c1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000596014015 396708354 /nfs/dbraw/zinc/70/83/54/396708354.db2.gz KKCXYWBQFAVCGJ-UWVGGRQHSA-N 1 0 306.322 0.352 20 5 DCBDRO C[C@H](CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000299230582 396711361 /nfs/dbraw/zinc/71/13/61/396711361.db2.gz DJBSTWCUTSPNRZ-SNVBAGLBSA-N 1 0 308.338 0.391 20 5 DCBDRO C[C@H](CCN1CC[NH+](C)CC1)Nc1ncc([N+](=O)[O-])c(N)n1 ZINC000302239263 396718704 /nfs/dbraw/zinc/71/87/04/396718704.db2.gz HIMITVUJGJHOOH-SNVBAGLBSA-N 1 0 309.374 0.405 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000304338271 396729974 /nfs/dbraw/zinc/72/99/74/396729974.db2.gz XNAPMGVHCWZZEX-AWEZNQCLSA-N 1 0 320.353 0.686 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH+](C3CCCC3)CC2)c1 ZINC000304352558 396730521 /nfs/dbraw/zinc/73/05/21/396730521.db2.gz RUDJBCQSHOKOSA-HNNXBMFYSA-N 1 0 323.397 0.712 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C[C@H](O)C(F)(F)F ZINC000305780685 396752443 /nfs/dbraw/zinc/75/24/43/396752443.db2.gz TUNMGOXWWPZBAB-BDAKNGLRSA-N 1 0 312.248 0.007 20 5 DCBDRO CSc1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000590370273 396764136 /nfs/dbraw/zinc/76/41/36/396764136.db2.gz XMGFOAXPQJSXPM-SNVBAGLBSA-N 1 0 313.379 0.969 20 5 DCBDRO CCC(CC)(C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)OC ZINC000313970665 396775906 /nfs/dbraw/zinc/77/59/06/396775906.db2.gz KJOAVNVWPPFIMU-LBPRGKRZSA-N 1 0 300.359 0.947 20 5 DCBDRO O=C1NCCC[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590971696 396862076 /nfs/dbraw/zinc/86/20/76/396862076.db2.gz GWKNFMGRALBRAC-JTQLQIEISA-N 1 0 321.333 0.982 20 5 DCBDRO CN(CCC[NH3+])S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000563957880 396800245 /nfs/dbraw/zinc/80/02/45/396800245.db2.gz ULOVUZUTOMOWBI-UHFFFAOYSA-N 1 0 301.368 0.748 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000317203899 396801213 /nfs/dbraw/zinc/80/12/13/396801213.db2.gz VFAWBHZNLCITKA-RNCFNFMXSA-N 1 0 308.338 0.242 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000600527334 396884031 /nfs/dbraw/zinc/88/40/31/396884031.db2.gz NBGMSRZPALQWAC-LLVKDONJSA-N 1 0 318.333 0.873 20 5 DCBDRO Cc1cc(OCC(=O)NCC[N@@H+]2CC[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000600536052 396885464 /nfs/dbraw/zinc/88/54/64/396885464.db2.gz WEYWUMNLXRXYKZ-GFCCVEGCSA-N 1 0 323.349 0.465 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000591270624 396891896 /nfs/dbraw/zinc/89/18/96/396891896.db2.gz ZCUBTARRSNKQAU-LLVKDONJSA-N 1 0 323.353 0.710 20 5 DCBDRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000591303584 396898432 /nfs/dbraw/zinc/89/84/32/396898432.db2.gz PQOJZITULTWDJG-CYBMUJFWSA-N 1 0 320.349 0.990 20 5 DCBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1COCCN1 ZINC000600679090 396915600 /nfs/dbraw/zinc/91/56/00/396915600.db2.gz ZIIDPZGBCBGABM-DGCLKSJQSA-N 1 0 322.365 0.890 20 5 DCBDRO CN(CC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccccc1[N+](=O)[O-] ZINC000600807484 396945806 /nfs/dbraw/zinc/94/58/06/396945806.db2.gz FIMXOEKNARUCCH-LBPRGKRZSA-N 1 0 322.365 0.214 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CC1 ZINC000591679226 396975826 /nfs/dbraw/zinc/97/58/26/396975826.db2.gz OWYOMPZUQCOIGA-UHFFFAOYSA-N 1 0 320.349 0.583 20 5 DCBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cn1ccc([N+](=O)[O-])n1)C2 ZINC000597714127 397072676 /nfs/dbraw/zinc/07/26/76/397072676.db2.gz GRHZALNVNHAHAI-AWEZNQCLSA-N 1 0 307.354 0.736 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597653548 397046156 /nfs/dbraw/zinc/04/61/56/397046156.db2.gz LGBJJQFSQIOSIM-LLVKDONJSA-N 1 0 309.366 0.911 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601326362 397056916 /nfs/dbraw/zinc/05/69/16/397056916.db2.gz BDLQRVGIMUTENR-JQWIXIFHSA-N 1 0 320.349 0.978 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000592391906 397168173 /nfs/dbraw/zinc/16/81/73/397168173.db2.gz UCTVPXNUXDJCJW-UHFFFAOYSA-N 1 0 315.351 0.714 20 5 DCBDRO Cc1ccc(NCCCNC(=O)COCC[NH3+])c([N+](=O)[O-])c1 ZINC000592156376 397110161 /nfs/dbraw/zinc/11/01/61/397110161.db2.gz MFWSJZXHNIIEGV-UHFFFAOYSA-N 1 0 310.354 0.797 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475089 397185205 /nfs/dbraw/zinc/18/52/05/397185205.db2.gz NFUGBWMWWWPIPF-BXUZGUMPSA-N 1 0 322.365 0.971 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000619786066 397191972 /nfs/dbraw/zinc/19/19/72/397191972.db2.gz NUEPGYYHVYWJCY-NSHDSACASA-N 1 0 323.353 0.645 20 5 DCBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000598263119 397200218 /nfs/dbraw/zinc/20/02/18/397200218.db2.gz PPCUOLJJUMPVDQ-LLVKDONJSA-N 1 0 310.358 0.423 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592557617 397214718 /nfs/dbraw/zinc/21/47/18/397214718.db2.gz LJKVPYWXXBRYCL-GHMZBOCLSA-N 1 0 308.342 0.034 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592568732 397219411 /nfs/dbraw/zinc/21/94/11/397219411.db2.gz XMZVGDKNDGQVTI-WDEREUQCSA-N 1 0 322.365 0.957 20 5 DCBDRO C[C@@H](CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])[NH+](C)C ZINC000598586285 397250897 /nfs/dbraw/zinc/25/08/97/397250897.db2.gz DRLNNEXZZYNNCG-JTQLQIEISA-N 1 0 310.358 0.583 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598902518 397305454 /nfs/dbraw/zinc/30/54/54/397305454.db2.gz IVLUSSZIYAAKPN-JTQLQIEISA-N 1 0 323.353 0.783 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598915110 397307771 /nfs/dbraw/zinc/30/77/71/397307771.db2.gz HUPQJHXOJQSOKQ-JTQLQIEISA-N 1 0 306.322 0.601 20 5 DCBDRO [NH3+]CC1(NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000598914372 397307818 /nfs/dbraw/zinc/30/78/18/397307818.db2.gz BPGIJXOULUZGLL-UHFFFAOYSA-N 1 0 306.322 0.921 20 5 DCBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000598916327 397307885 /nfs/dbraw/zinc/30/78/85/397307885.db2.gz YANCUSRCOGVBMZ-BONVTDFDSA-N 1 0 318.333 0.873 20 5 DCBDRO [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000574385422 397261935 /nfs/dbraw/zinc/26/19/35/397261935.db2.gz BGNNFSOTZXSYTK-LBPRGKRZSA-N 1 0 320.349 0.408 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000599084231 397332294 /nfs/dbraw/zinc/33/22/94/397332294.db2.gz QFHXCNOCCPRVJV-URLYPYJESA-N 1 0 306.322 0.773 20 5 DCBDRO O=C(CC[NH2+]C[C@@H](O)[C@@H]1CCOC1)Nc1ccccc1[N+](=O)[O-] ZINC000578323429 397420549 /nfs/dbraw/zinc/42/05/49/397420549.db2.gz IJSAZBFRJTYPFB-BXUZGUMPSA-N 1 0 323.349 0.910 20 5 DCBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000602495290 397421165 /nfs/dbraw/zinc/42/11/65/397421165.db2.gz XDCKTDJDGBKNHS-LLVKDONJSA-N 1 0 322.340 0.854 20 5 DCBDRO COc1cc(OCC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)ccc1[N+](=O)[O-] ZINC000602588105 397444162 /nfs/dbraw/zinc/44/41/62/397444162.db2.gz LICKKLIDISVQJI-UWVGGRQHSA-N 1 0 307.306 0.555 20 5 DCBDRO Cc1cc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000578276402 397414082 /nfs/dbraw/zinc/41/40/82/397414082.db2.gz LLUKQXVUUCDYMP-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO C[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593917633 397479763 /nfs/dbraw/zinc/47/97/63/397479763.db2.gz XBYMVQLGXKQHIF-NEPJUHHUSA-N 1 0 322.365 0.732 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000602782886 397483214 /nfs/dbraw/zinc/48/32/14/397483214.db2.gz BKKABEKCNYBBDM-GFCCVEGCSA-N 1 0 322.369 0.589 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000602815679 397493104 /nfs/dbraw/zinc/49/31/04/397493104.db2.gz QDXAFDPFGLRNNZ-UHFFFAOYSA-N 1 0 311.386 0.488 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000599694284 397507797 /nfs/dbraw/zinc/50/77/97/397507797.db2.gz PPHBFLCVDGHBBR-NSHDSACASA-N 1 0 324.337 0.792 20 5 DCBDRO CN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000579354825 397557370 /nfs/dbraw/zinc/55/73/70/397557370.db2.gz DTWAMEWAGHLKSY-LLVKDONJSA-N 1 0 307.354 0.108 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCN([C@H]3CCOC3)CC2)c1 ZINC000594498269 397563107 /nfs/dbraw/zinc/56/31/07/397563107.db2.gz IWIFUWIBBOXINT-ZDUSSCGKSA-N 1 0 309.370 0.634 20 5 DCBDRO CN(C(=O)CN1CCN(C)C[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000602903030 397518325 /nfs/dbraw/zinc/51/83/25/397518325.db2.gz AIPKRVKVWSCTCQ-AWEZNQCLSA-N 1 0 322.365 0.166 20 5 DCBDRO CN(CCOCC[NH3+])C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000599921312 397540911 /nfs/dbraw/zinc/54/09/11/397540911.db2.gz QTVHAGMIAIOEMY-UHFFFAOYSA-N 1 0 310.354 0.754 20 5 DCBDRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000603910095 397627843 /nfs/dbraw/zinc/62/78/43/397627843.db2.gz IZXGTBNILAIVOM-CHWSQXEVSA-N 1 0 316.361 0.635 20 5 DCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000609269890 397768054 /nfs/dbraw/zinc/76/80/54/397768054.db2.gz YYZOUZBEIZGOHJ-NSHDSACASA-N 1 0 311.342 0.018 20 5 DCBDRO C[NH+](C)CCc1ccc(NC(=O)Cn2cnc([N+](=O)[O-])n2)cc1 ZINC000076158518 158065343 /nfs/dbraw/zinc/06/53/43/158065343.db2.gz TVGRSIGLLITTDG-UHFFFAOYSA-N 1 0 318.337 0.929 20 5 DCBDRO C[N@H+](CCC1CCOCC1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000120649850 158202089 /nfs/dbraw/zinc/20/20/89/158202089.db2.gz YVKABHJIZLHWAT-CQSZACIVSA-N 1 0 312.370 0.901 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000318793687 159007240 /nfs/dbraw/zinc/00/72/40/159007240.db2.gz ZQTRCWHHAFDUPE-UWVGGRQHSA-N 1 0 305.338 0.929 20 5 DCBDRO CC(C)C[NH+]1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000330582441 159197560 /nfs/dbraw/zinc/19/75/60/159197560.db2.gz SIHHGVYNLCGCFH-UHFFFAOYSA-N 1 0 310.358 0.423 20 5 DCBDRO CCOc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000368414379 159393387 /nfs/dbraw/zinc/39/33/87/159393387.db2.gz UKWYBQIXFOQAJE-NSHDSACASA-N 1 0 309.322 0.793 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH+](C2CCOCC2)CC1 ZINC000408074787 160030325 /nfs/dbraw/zinc/03/03/25/160030325.db2.gz WHKHXKXVSVGNAZ-UHFFFAOYSA-N 1 0 309.326 0.255 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H](CO)C(C)(C)C ZINC000134442294 287016483 /nfs/dbraw/zinc/01/64/83/287016483.db2.gz FOCMEZMVVJGRMO-NWDGAFQWSA-N 1 0 300.359 0.491 20 5 DCBDRO C[C@H]1CC[NH2+]C[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193401580 287060769 /nfs/dbraw/zinc/06/07/69/287060769.db2.gz YGQRTZSCSIURGI-JGVFFNPUSA-N 1 0 305.381 0.933 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000247223839 287092071 /nfs/dbraw/zinc/09/20/71/287092071.db2.gz CXUSNFZFFMWROX-BXUZGUMPSA-N 1 0 310.354 0.653 20 5 DCBDRO COC[C@]1(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)CCC[NH2+]1 ZINC000357266540 287204792 /nfs/dbraw/zinc/20/47/92/287204792.db2.gz CRCQEJJOKMXGCT-CYBMUJFWSA-N 1 0 311.342 0.135 20 5 DCBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000359743312 287214400 /nfs/dbraw/zinc/21/44/00/287214400.db2.gz MWMXKBKQGFDUOI-LBPRGKRZSA-N 1 0 324.381 0.993 20 5 DCBDRO [NH3+]C[C@H]1CCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420296259 287286796 /nfs/dbraw/zinc/28/67/96/287286796.db2.gz WYLVUHOFPGQLBT-GFCCVEGCSA-N 1 0 313.379 0.792 20 5 DCBDRO CNC(=O)N[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000342364337 415154941 /nfs/dbraw/zinc/15/49/41/415154941.db2.gz DLYYBQYXHFTGLR-LLVKDONJSA-N 1 0 308.338 0.977 20 5 DCBDRO [NH3+]CCCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420411064 287296320 /nfs/dbraw/zinc/29/63/20/287296320.db2.gz AKOPMVDGEAMQDE-UHFFFAOYSA-N 1 0 301.368 0.796 20 5 DCBDRO CN(C(=O)Cn1cnc([N+](=O)[O-])n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342488111 415192485 /nfs/dbraw/zinc/19/24/85/415192485.db2.gz MCPCWNXYAHOXNC-ZACCUICWSA-N 1 0 308.342 0.270 20 5 DCBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269176572 415249210 /nfs/dbraw/zinc/24/92/10/415249210.db2.gz YHZGJYHEGGIOTP-SECBINFHSA-N 1 0 307.306 0.787 20 5 DCBDRO CC[NH+](CC)CCN(CCOC)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000352646186 415262264 /nfs/dbraw/zinc/26/22/64/415262264.db2.gz OWZRJVSAALXOSI-UHFFFAOYSA-N 1 0 313.358 0.748 20 5 DCBDRO NC(=O)N[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000342875687 415328051 /nfs/dbraw/zinc/32/80/51/415328051.db2.gz XJFYLAPJPQUHOS-LLVKDONJSA-N 1 0 321.337 0.666 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352807648 415329119 /nfs/dbraw/zinc/32/91/19/415329119.db2.gz WYIHYCJQYFLWPO-KGLIPLIRSA-N 1 0 323.349 0.923 20 5 DCBDRO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@@H]1C ZINC000343066958 415430115 /nfs/dbraw/zinc/43/01/15/415430115.db2.gz JJQMFCIGMRRLEM-QWRGUYRKSA-N 1 0 310.358 0.565 20 5 DCBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343178129 415488023 /nfs/dbraw/zinc/48/80/23/415488023.db2.gz AFUISYXUQVGYLU-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO COC(=O)CNC(=O)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607608 415519510 /nfs/dbraw/zinc/51/95/10/415519510.db2.gz KBWUBOBUSBAIAX-UHFFFAOYSA-N 1 0 321.333 0.632 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CCC[C@@H]2C[NH2+]C)c([N+](=O)[O-])n1 ZINC000353455283 415549133 /nfs/dbraw/zinc/54/91/33/415549133.db2.gz PBFAUVGEMPYHHN-SECBINFHSA-N 1 0 317.371 0.184 20 5 DCBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)c([N+](=O)[O-])cc1O ZINC000353690969 415626834 /nfs/dbraw/zinc/62/68/34/415626834.db2.gz SLOBMKXGTPXGRO-QWRGUYRKSA-N 1 0 312.322 0.939 20 5 DCBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000343637536 415665802 /nfs/dbraw/zinc/66/58/02/415665802.db2.gz BUJWBKROQZVVCQ-LBPRGKRZSA-N 1 0 322.365 0.747 20 5 DCBDRO [NH3+][C@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000343858589 415755370 /nfs/dbraw/zinc/75/53/70/415755370.db2.gz NSJPZRXQOMWREL-YFKPBYRVSA-N 1 0 308.323 0.843 20 5 DCBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@@H+]1C[C@@H](C)O ZINC000297018435 415947769 /nfs/dbraw/zinc/94/77/69/415947769.db2.gz GVFLNEGEJKOYID-ZYHUDNBSSA-N 1 0 309.370 0.975 20 5 DCBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+](C2CCC2)C1 ZINC000344693345 415971609 /nfs/dbraw/zinc/97/16/09/415971609.db2.gz JDOAECYZOFEQBC-NSHDSACASA-N 1 0 322.369 0.519 20 5 DCBDRO COCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000298445451 416008385 /nfs/dbraw/zinc/00/83/85/416008385.db2.gz RVEUCTUYMSFTCT-UHFFFAOYSA-N 1 0 307.310 0.899 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298591729 416016626 /nfs/dbraw/zinc/01/66/26/416016626.db2.gz GATLCFUAYOHJTP-SNVBAGLBSA-N 1 0 308.338 0.908 20 5 DCBDRO CCOc1ccc(NC(=O)CN(C)C2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000357094063 416033296 /nfs/dbraw/zinc/03/32/96/416033296.db2.gz XZOKSPSXYXSLFI-UHFFFAOYSA-N 1 0 308.338 0.836 20 5 DCBDRO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+]1CCC[C@H](C)C1 ZINC000357892259 416149121 /nfs/dbraw/zinc/14/91/21/416149121.db2.gz RPTZRABQFMJWRA-QWRGUYRKSA-N 1 0 310.358 0.423 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)COc2ccc([N+](=O)[O-])cc2)C1 ZINC000358058244 416181297 /nfs/dbraw/zinc/18/12/97/416181297.db2.gz CIBJPNCYHREBPX-AWEZNQCLSA-N 1 0 309.322 0.156 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000183960539 416250018 /nfs/dbraw/zinc/25/00/18/416250018.db2.gz AVDGVOQFWGYLJS-UHFFFAOYSA-N 1 0 324.381 0.827 20 5 DCBDRO CCO[C@@H]1C[C@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000190022997 416274760 /nfs/dbraw/zinc/27/47/60/416274760.db2.gz USIUVSLKUJZLAG-TZMCWYRMSA-N 1 0 312.370 0.947 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415420222 416342742 /nfs/dbraw/zinc/34/27/42/416342742.db2.gz WEFHRQOOZLVXSE-MRVPVSSYSA-N 1 0 310.285 0.493 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000415495463 416345283 /nfs/dbraw/zinc/34/52/83/416345283.db2.gz FPEQTGONLMHDLN-GFCCVEGCSA-N 1 0 307.354 0.928 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000415501454 416345980 /nfs/dbraw/zinc/34/59/80/416345980.db2.gz MKXASOPLPSMXTJ-JTQLQIEISA-N 1 0 310.310 0.713 20 5 DCBDRO COC[C@@]1(C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000423228082 416479915 /nfs/dbraw/zinc/47/99/15/416479915.db2.gz YCDQGTVPTCIFHJ-OAHLLOKOSA-N 1 0 307.350 0.880 20 5 DCBDRO O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)[C@@H]1C[NH2+]CCO1 ZINC000592070795 416541017 /nfs/dbraw/zinc/54/10/17/416541017.db2.gz XFCHAEOGLYGCPK-LBPRGKRZSA-N 1 0 317.305 0.912 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362073069 416556904 /nfs/dbraw/zinc/55/69/04/416556904.db2.gz TWYBHKCLTHIXSF-YRGRVCCFSA-N 1 0 310.350 0.895 20 5 DCBDRO C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000438825432 416601716 /nfs/dbraw/zinc/60/17/16/416601716.db2.gz IPGBETLBTUWEIW-NSHDSACASA-N 1 0 324.381 0.849 20 5 DCBDRO Nc1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)nc1[N+](=O)[O-] ZINC000596167577 416578397 /nfs/dbraw/zinc/57/83/97/416578397.db2.gz LPORWCHVNMMGAK-NSHDSACASA-N 1 0 307.354 1.237 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)C[NH3+] ZINC000441597596 416675968 /nfs/dbraw/zinc/67/59/68/416675968.db2.gz KLHLYRCGKZXEEZ-WCBMZHEXSA-N 1 0 312.374 0.538 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368820020 416695068 /nfs/dbraw/zinc/69/50/68/416695068.db2.gz AAUHYAJFENAGDM-UHFFFAOYSA-N 1 0 307.354 0.784 20 5 DCBDRO COCC(C)(C)[NH+]1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000425502121 416711847 /nfs/dbraw/zinc/71/18/47/416711847.db2.gz GSVCASOGLXFQSY-UHFFFAOYSA-N 1 0 311.386 0.871 20 5 DCBDRO O=C(C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)N1CCOCC1 ZINC000369492192 416785604 /nfs/dbraw/zinc/78/56/04/416785604.db2.gz UPOFAYGBQCBBAC-UHFFFAOYSA-N 1 0 323.353 0.287 20 5 DCBDRO O=C(CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000559284124 416807000 /nfs/dbraw/zinc/80/70/00/416807000.db2.gz YJYDUCHAJXTFIQ-FZMZJTMJSA-N 1 0 323.349 0.599 20 5 DCBDRO COc1cccc(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000444364065 416836189 /nfs/dbraw/zinc/83/61/89/416836189.db2.gz KRTLKJKZCFXABK-AWEZNQCLSA-N 1 0 309.322 0.400 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)CC(F)(F)F)c1 ZINC000518374752 416852579 /nfs/dbraw/zinc/85/25/79/416852579.db2.gz GQUBAFHRGIWNCU-CBAPKCEASA-N 1 0 312.248 0.055 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000519788621 416937504 /nfs/dbraw/zinc/93/75/04/416937504.db2.gz LPJGWUJWSBKMNG-STQMWFEESA-N 1 0 309.322 0.350 20 5 DCBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447844152 417032243 /nfs/dbraw/zinc/03/22/43/417032243.db2.gz PEVQCRSMSNIYLY-OBJOEFQTSA-N 1 0 312.370 0.778 20 5 DCBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000447844153 417033441 /nfs/dbraw/zinc/03/34/41/417033441.db2.gz PEVQCRSMSNIYLY-OUCADQQQSA-N 1 0 312.370 0.778 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000447248110 416973503 /nfs/dbraw/zinc/97/35/03/416973503.db2.gz KDJUODRVFWVWQH-QMMMGPOBSA-N 1 0 303.340 0.477 20 5 DCBDRO [NH3+]C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000429551474 416979208 /nfs/dbraw/zinc/97/92/08/416979208.db2.gz YJNBHTUWKXNPPI-NSHDSACASA-N 1 0 321.333 0.762 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000565434360 416981393 /nfs/dbraw/zinc/98/13/93/416981393.db2.gz ZGAJTJYXMINRJZ-MNOVXSKESA-N 1 0 306.322 0.352 20 5 DCBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000430595805 417046459 /nfs/dbraw/zinc/04/64/59/417046459.db2.gz YRQHZNKZXILSNI-GFCCVEGCSA-N 1 0 322.365 0.651 20 5 DCBDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430641877 417056095 /nfs/dbraw/zinc/05/60/95/417056095.db2.gz JLGPQTZWUHYXFD-SNVBAGLBSA-N 1 0 308.338 0.836 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000449601965 417155460 /nfs/dbraw/zinc/15/54/60/417155460.db2.gz NWRLOVOIHMHMCB-BDAKNGLRSA-N 1 0 309.322 0.760 20 5 DCBDRO C[C@@H](NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O)[C@H](C)[NH3+] ZINC000449595763 417156360 /nfs/dbraw/zinc/15/63/60/417156360.db2.gz VJHBQKBYXPWESM-DTWKUNHWSA-N 1 0 322.321 0.172 20 5 DCBDRO CCCc1n[nH]c(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1[N+](=O)[O-] ZINC000449665353 417159753 /nfs/dbraw/zinc/15/97/53/417159753.db2.gz QPQUFHZMBPBGON-MRVPVSSYSA-N 1 0 317.296 0.997 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCCO1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000449708142 417171003 /nfs/dbraw/zinc/17/10/03/417171003.db2.gz UDXZFLOLHDYSHX-JTQLQIEISA-N 1 0 319.321 0.579 20 5 DCBDRO CSc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000449704345 417167241 /nfs/dbraw/zinc/16/72/41/417167241.db2.gz VNGXHVNWQUCLNA-NSHDSACASA-N 1 0 324.406 0.950 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449698307 417167377 /nfs/dbraw/zinc/16/73/77/417167377.db2.gz NLBJCOGTOOHRHH-AWEZNQCLSA-N 1 0 320.393 0.892 20 5 DCBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000570389873 417349717 /nfs/dbraw/zinc/34/97/17/417349717.db2.gz LGYMJFUWZLMTIN-VIFPVBQESA-N 1 0 307.306 0.848 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415316426 417365626 /nfs/dbraw/zinc/36/56/26/417365626.db2.gz NXKIFTQMQVMIPA-JTQLQIEISA-N 1 0 306.322 0.710 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000415316696 417366248 /nfs/dbraw/zinc/36/62/48/417366248.db2.gz OKQNXIYGHQIPMA-JTQLQIEISA-N 1 0 306.322 0.710 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415340870 417367127 /nfs/dbraw/zinc/36/71/27/417367127.db2.gz FZDDTOQTQGDUAR-MRVPVSSYSA-N 1 0 310.285 0.493 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000572377528 417458461 /nfs/dbraw/zinc/45/84/61/417458461.db2.gz HLMILYKPURDCOG-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000575800210 417549015 /nfs/dbraw/zinc/54/90/15/417549015.db2.gz HBOACBUOZRXJFH-KBPBESRZSA-N 1 0 310.354 0.653 20 5 DCBDRO Nc1c(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000576021096 417571815 /nfs/dbraw/zinc/57/18/15/417571815.db2.gz ODLKKQVHFLHPBU-OAHLLOKOSA-N 1 0 320.349 0.364 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000237852417 261163019 /nfs/dbraw/zinc/16/30/19/261163019.db2.gz YYPYRVMJTPVUII-JTQLQIEISA-N 1 0 301.306 0.954 20 5 DCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cn2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000354566175 261238217 /nfs/dbraw/zinc/23/82/17/261238217.db2.gz LGNJWEAMZCWLOT-GXTWGEPZSA-N 1 0 320.397 0.847 20 5 DCBDRO Cc1n[nH]c(C(=O)NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000356436932 261423265 /nfs/dbraw/zinc/42/32/65/261423265.db2.gz VHFGRZFRPMLMCA-UHFFFAOYSA-N 1 0 311.342 0.467 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCO1 ZINC000417758643 262260497 /nfs/dbraw/zinc/26/04/97/262260497.db2.gz CMNBZIVOZZGRKV-GFCCVEGCSA-N 1 0 308.338 0.506 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417763095 262261073 /nfs/dbraw/zinc/26/10/73/262261073.db2.gz JVGMIPYBDPTQEH-ZDUSSCGKSA-N 1 0 321.381 0.340 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000417915412 262264904 /nfs/dbraw/zinc/26/49/04/262264904.db2.gz SUKGHUGCGBIPMZ-WDEREUQCSA-N 1 0 310.358 0.608 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418783604 262289721 /nfs/dbraw/zinc/28/97/21/262289721.db2.gz OUZFBFDFZBFGIA-NOZJJQNGSA-N 1 0 320.349 0.626 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418792244 262290284 /nfs/dbraw/zinc/29/02/84/262290284.db2.gz ZQYDAOKXEJQFFC-NXEZZACHSA-N 1 0 308.338 0.483 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418791729 262290349 /nfs/dbraw/zinc/29/03/49/262290349.db2.gz YWUZIZIIMPXAEH-MNOVXSKESA-N 1 0 322.365 0.886 20 5 DCBDRO CN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](O)C[NH3+] ZINC000420349606 262369873 /nfs/dbraw/zinc/36/98/73/262369873.db2.gz DHZXXRFJLLALJS-SECBINFHSA-N 1 0 316.745 0.438 20 5 DCBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000420393451 262373105 /nfs/dbraw/zinc/37/31/05/262373105.db2.gz QOIAZQGBDTYMTK-SMDDNHRTSA-N 1 0 322.365 0.971 20 5 DCBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCO[C@@H](C[NH3+])C1 ZINC000420398476 262373234 /nfs/dbraw/zinc/37/32/34/262373234.db2.gz YVCPRPFDTQVHAB-NEPJUHHUSA-N 1 0 322.365 0.971 20 5 DCBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCO[C@@H](C[NH3+])C1 ZINC000420398479 262373542 /nfs/dbraw/zinc/37/35/42/262373542.db2.gz YVCPRPFDTQVHAB-RYUDHWBXSA-N 1 0 322.365 0.971 20 5 DCBDRO CC(C)([NH3+])CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420467774 262374490 /nfs/dbraw/zinc/37/44/90/262374490.db2.gz XNXZXKQLKOCSLV-UHFFFAOYSA-N 1 0 301.368 0.794 20 5 DCBDRO CC(=O)N[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420985380 262388834 /nfs/dbraw/zinc/38/88/34/262388834.db2.gz KXMIQKATRGUDBU-GXTWGEPZSA-N 1 0 323.349 0.545 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423634517 262451444 /nfs/dbraw/zinc/45/14/44/262451444.db2.gz QPMJZJQGYBMZCZ-LLVKDONJSA-N 1 0 322.365 0.769 20 5 DCBDRO CO[C@@H]1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000359242359 271111144 /nfs/dbraw/zinc/11/11/44/271111144.db2.gz PPCCLPBIWHOGJP-VXGBXAGGSA-N 1 0 323.349 0.938 20 5 DCBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000420202667 271362743 /nfs/dbraw/zinc/36/27/43/271362743.db2.gz NXIWJTXLSLEEJO-QMMMGPOBSA-N 1 0 302.356 0.510 20 5 DCBDRO [NH3+]C[C@H](NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000420442186 271370632 /nfs/dbraw/zinc/37/06/32/271370632.db2.gz DMBMTYQWXWVXKZ-ZDUSSCGKSA-N 1 0 313.379 0.794 20 5 DCBDRO C[NH+](C)CC(C)(C)CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000439061658 271633742 /nfs/dbraw/zinc/63/37/42/271633742.db2.gz LPDSIRJMMMGTMM-UHFFFAOYSA-N 1 0 310.354 0.461 20 5 DCBDRO COC(=O)CC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCOCC1 ZINC000489990824 272067891 /nfs/dbraw/zinc/06/78/91/272067891.db2.gz JFOUYXOUXFEFCV-UHFFFAOYSA-N 1 0 312.326 0.530 20 5 DCBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000493248599 272177126 /nfs/dbraw/zinc/17/71/26/272177126.db2.gz FUEHCKKDWRUDHE-OQOSRZTISA-N 1 0 303.318 0.807 20 5 DCBDRO O=C1NC2(CO1)CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC000495249942 272242950 /nfs/dbraw/zinc/24/29/50/272242950.db2.gz GQNYCLMJPLEMLB-UHFFFAOYSA-N 1 0 322.321 0.331 20 5 DCBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000178947355 277002251 /nfs/dbraw/zinc/00/22/51/277002251.db2.gz XHVLSMZEFXKIEO-QMMMGPOBSA-N 1 0 303.315 0.716 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000261649908 277298432 /nfs/dbraw/zinc/29/84/32/277298432.db2.gz DYOOQFQYMCIEOI-NXEZZACHSA-N 1 0 324.337 0.517 20 5 DCBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548964154 288188504 /nfs/dbraw/zinc/18/85/04/288188504.db2.gz KKGRTSYVNSXJST-UHFFFAOYSA-N 1 0 311.342 0.283 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000564201093 288729386 /nfs/dbraw/zinc/72/93/86/288729386.db2.gz AGTBHLUYQAJENM-JTQLQIEISA-N 1 0 323.305 0.084 20 5 DCBDRO CN1CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000564724199 288762418 /nfs/dbraw/zinc/76/24/18/288762418.db2.gz ZAHFZSIOZIEBLM-GHMZBOCLSA-N 1 0 309.322 0.155 20 5 DCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000564978828 288801301 /nfs/dbraw/zinc/80/13/01/288801301.db2.gz GPRVUBJLEOPFAF-ZJUUUORDSA-N 1 0 308.338 0.453 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000020007058 295190092 /nfs/dbraw/zinc/19/00/92/295190092.db2.gz FFAYUHAYKZFSEJ-SECBINFHSA-N 1 0 315.351 0.715 20 5 DCBDRO COc1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000388486678 333315512 /nfs/dbraw/zinc/31/55/12/333315512.db2.gz CLTJKCRTMADNGX-NSHDSACASA-N 1 0 308.338 0.318 20 5 DCBDRO C[NH2+]CCNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000584589897 337370481 /nfs/dbraw/zinc/37/04/81/337370481.db2.gz ZRQOOKXYAAJVSJ-UHFFFAOYSA-N 1 0 308.338 0.381 20 5 DCBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000268041779 520501316 /nfs/dbraw/zinc/50/13/16/520501316.db2.gz YEEXRWDHOCLMHV-SNVBAGLBSA-N 1 0 313.358 0.713 20 5 DCBDRO COC[C@H](O)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000129632258 522804085 /nfs/dbraw/zinc/80/40/85/522804085.db2.gz PQUDCROFWYTKKM-ZWNOBZJWSA-N 1 0 311.338 0.909 20 5 DCBDRO CCc1n[nH]c(C(=O)N(CCOC)CC[NH+](C)C)c1[N+](=O)[O-] ZINC000188422123 523667364 /nfs/dbraw/zinc/66/73/64/523667364.db2.gz IJVUHMDAKJPRIP-UHFFFAOYSA-N 1 0 313.358 0.531 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156109537 525032552 /nfs/dbraw/zinc/03/25/52/525032552.db2.gz HCIDJROZIYWMQA-VIFPVBQESA-N 1 0 315.351 0.715 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]CC1 ZINC000159348785 525232271 /nfs/dbraw/zinc/23/22/71/525232271.db2.gz KFBOWRLVTMOKOR-JTQLQIEISA-N 1 0 306.322 0.145 20 5 DCBDRO Cc1c(CC(=O)NCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000160172173 525691760 /nfs/dbraw/zinc/69/17/60/525691760.db2.gz WGRRZQQVSGNFHV-UHFFFAOYSA-N 1 0 320.393 0.809 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC[NH+]1CCCCC1 ZINC000128404450 526467828 /nfs/dbraw/zinc/46/78/28/526467828.db2.gz GDCAGJJKQBSSHK-UHFFFAOYSA-N 1 0 310.358 0.576 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@@H+]1CCCOCC1 ZINC000189390644 526902006 /nfs/dbraw/zinc/90/20/06/526902006.db2.gz MELAVZQAGCJHPN-UHFFFAOYSA-N 1 0 322.365 0.845 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000125968540 527052980 /nfs/dbraw/zinc/05/29/80/527052980.db2.gz RXMXUYIXXNTAPR-JTQLQIEISA-N 1 0 302.294 0.267 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262637829 527370653 /nfs/dbraw/zinc/37/06/53/527370653.db2.gz PBIXCCYOGLVAJW-MNOVXSKESA-N 1 0 306.322 0.109 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1 ZINC000330751235 529150906 /nfs/dbraw/zinc/15/09/06/529150906.db2.gz ZCUDUTYRRAEABD-JTQLQIEISA-N 1 0 324.385 0.382 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820242908 606702523 /nfs/dbraw/zinc/70/25/23/606702523.db2.gz QTLHRJTWWNUSNQ-QMMMGPOBSA-N 1 0 306.330 0.922 20 5 DCBDRO CN(CCC[NH+](C)C)c1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000825860324 608583753 /nfs/dbraw/zinc/58/37/53/608583753.db2.gz PSXAGQNSHJPRJG-UHFFFAOYSA-N 1 0 306.330 0.558 20 5 DCBDRO Cc1ncsc1C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025775638 659557478 /nfs/dbraw/zinc/55/74/78/659557478.db2.gz LJIAQIRXKBUAIJ-HMUNZLOLSA-N 1 0 322.390 0.663 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000901235228 663332178 /nfs/dbraw/zinc/33/21/78/663332178.db2.gz SZXSUTZRZIPATO-HIFRSBDPSA-N 1 0 307.350 0.709 20 5 DCBDRO CN1CC[N@H+](C)CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000905850150 663586723 /nfs/dbraw/zinc/58/67/23/663586723.db2.gz PBWCWBBLERUFIA-UHFFFAOYSA-N 1 0 318.377 0.977 20 5 DCBDRO CN1CC[N@H+](C)CC(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000907148937 663673600 /nfs/dbraw/zinc/67/36/00/663673600.db2.gz GHAWYLLAPPASGZ-UHFFFAOYSA-N 1 0 320.393 0.747 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941407347 665991341 /nfs/dbraw/zinc/99/13/41/665991341.db2.gz PFZAZLLQKOYNHS-HUUCEWRRSA-N 1 0 322.409 0.280 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000912113668 664141833 /nfs/dbraw/zinc/14/18/33/664141833.db2.gz PXXJLEHOLBVCRJ-CYBMUJFWSA-N 1 0 307.354 0.027 20 5 DCBDRO Cc1c(CC(=O)N(C)CC[N@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000912606837 664192996 /nfs/dbraw/zinc/19/29/96/664192996.db2.gz GRKNRNOJUHKJHT-UHFFFAOYSA-N 1 0 309.366 0.828 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917806 664245416 /nfs/dbraw/zinc/24/54/16/664245416.db2.gz OAHRFFJWLZLCTE-LLVKDONJSA-N 1 0 306.322 0.063 20 5 DCBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@@]2(C)C1 ZINC000913289135 664298400 /nfs/dbraw/zinc/29/84/00/664298400.db2.gz JNNHTYBOSJPRNN-OKILXGFUSA-N 1 0 307.354 0.592 20 5 DCBDRO C[NH+](C)C1(C)CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000913399357 664309122 /nfs/dbraw/zinc/30/91/22/664309122.db2.gz ZOBSHHUYRYEQBO-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO NC(=O)C1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000130075706 664657176 /nfs/dbraw/zinc/65/71/76/664657176.db2.gz DCGDHLFJEWKKKV-UHFFFAOYSA-N 1 0 310.285 0.670 20 5 DCBDRO Cc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)cc1[N+](=O)[O-] ZINC000913754356 664719511 /nfs/dbraw/zinc/71/95/11/664719511.db2.gz MXHRRZDSXMHFKX-SWLSCSKDSA-N 1 0 307.350 0.975 20 5 DCBDRO O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031660772 665271179 /nfs/dbraw/zinc/27/11/79/665271179.db2.gz RMANBYFBOJZLRF-HUUCEWRRSA-N 1 0 303.362 0.942 20 5 DCBDRO Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997766742 665335811 /nfs/dbraw/zinc/33/58/11/665335811.db2.gz AOACBTPGUNGHBU-CHWSQXEVSA-N 1 0 321.381 0.414 20 5 DCBDRO Cc1c(C(=O)NC[C@H](C)C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237589981 665367690 /nfs/dbraw/zinc/36/76/90/665367690.db2.gz AOOMFAKYGAWZPA-SECBINFHSA-N 1 0 318.337 0.809 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCN2C)cc1[N+](=O)[O-] ZINC000922576924 666484439 /nfs/dbraw/zinc/48/44/39/666484439.db2.gz ZXODMJRZCKDETB-LBPRGKRZSA-N 1 0 323.349 0.940 20 5 DCBDRO Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996429737 666791228 /nfs/dbraw/zinc/79/12/28/666791228.db2.gz VMCLIZQEYKNASN-ZIAGYGMSSA-N 1 0 321.381 0.474 20 5 DCBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000861345409 666920377 /nfs/dbraw/zinc/92/03/77/666920377.db2.gz TZNXCEBKFKRRRJ-GXFFZTMASA-N 1 0 312.326 0.444 20 5 DCBDRO O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861545081 666942875 /nfs/dbraw/zinc/94/28/75/666942875.db2.gz SGLBHNLGVGYGKL-SSDOTTSWSA-N 1 0 312.713 0.665 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861544467 666942959 /nfs/dbraw/zinc/94/29/59/666942959.db2.gz NALZXYDLBBUWOK-VIFPVBQESA-N 1 0 308.338 0.901 20 5 DCBDRO Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034643241 667089238 /nfs/dbraw/zinc/08/92/38/667089238.db2.gz LBFOUIYDPLHGTO-FDYHWXHSSA-N 1 0 321.381 0.602 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3COC[C@H]3O)CC2)cc1 ZINC000866418947 667375345 /nfs/dbraw/zinc/37/53/45/667375345.db2.gz ZLGHQVRKHDPGCS-LSDHHAIUSA-N 1 0 307.350 0.913 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000923291466 667493830 /nfs/dbraw/zinc/49/38/30/667493830.db2.gz STJNHPNSQALURI-JSGCOSHPSA-N 1 0 309.366 0.876 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC[C@H]([NH2+]CCO)C2)c1 ZINC000923409094 667528640 /nfs/dbraw/zinc/52/86/40/667528640.db2.gz PFGMUIDHTLDTFI-ZFWWWQNUSA-N 1 0 309.366 0.675 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000868422565 667570847 /nfs/dbraw/zinc/57/08/47/667570847.db2.gz SVSIYQZOCWUVNA-AAEUAGOBSA-N 1 0 322.369 0.527 20 5 DCBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)Cn1ccnn1 ZINC000839178652 667735104 /nfs/dbraw/zinc/73/51/04/667735104.db2.gz GUSAPATZXRQKBC-NSHDSACASA-N 1 0 311.729 0.990 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000743261107 667805472 /nfs/dbraw/zinc/80/54/72/667805472.db2.gz JSFQQWLIQUYPEK-ZIAGYGMSSA-N 1 0 324.312 0.615 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889779251 667996167 /nfs/dbraw/zinc/99/61/67/667996167.db2.gz DJCGPFMQECHKSA-CHWSQXEVSA-N 1 0 322.365 0.605 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000756817966 668101667 /nfs/dbraw/zinc/10/16/67/668101667.db2.gz JEYHYOJVSXJSNA-GHMZBOCLSA-N 1 0 323.353 0.404 20 5 DCBDRO CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC000839707148 668135481 /nfs/dbraw/zinc/13/54/81/668135481.db2.gz AHTSLUFWFVHGQS-HUUCEWRRSA-N 1 0 324.425 0.669 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000924977300 668257655 /nfs/dbraw/zinc/25/76/55/668257655.db2.gz QBRUQAWQCHMSCU-QWRGUYRKSA-N 1 0 311.313 0.458 20 5 DCBDRO Cn1c(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000877334672 668603825 /nfs/dbraw/zinc/60/38/25/668603825.db2.gz CFHHBNGVAMWCEB-NSHDSACASA-N 1 0 322.365 0.822 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCCN3CCCO)C2)c1 ZINC000877559758 668628481 /nfs/dbraw/zinc/62/84/81/668628481.db2.gz VAPBSNMBSAPBTC-MOKVOYLWSA-N 1 0 323.397 0.931 20 5 DCBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)C1(O)CCOCC1 ZINC000930442181 669019831 /nfs/dbraw/zinc/01/98/31/669019831.db2.gz VGLUJOZHZVVXMA-HNNXBMFYSA-N 1 0 324.377 0.972 20 5 DCBDRO C[C@@H]1CN(CC[N+](=O)[O-])C2(CCCC2)CN1CC[N+](=O)[O-] ZINC000930610424 669047397 /nfs/dbraw/zinc/04/73/97/669047397.db2.gz QYYADCGBSXVGTK-GFCCVEGCSA-N 1 0 300.359 0.859 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000879560191 669062944 /nfs/dbraw/zinc/06/29/44/669062944.db2.gz RXNUTQQKWCVJQJ-DMDPSCGWSA-N 1 0 312.395 0.837 20 5 DCBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cn1 ZINC000782165915 669083572 /nfs/dbraw/zinc/08/35/72/669083572.db2.gz GAFSTOOIFJOSHY-UHFFFAOYSA-N 1 0 319.325 0.582 20 5 DCBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CCNC1=O ZINC000782522320 669102959 /nfs/dbraw/zinc/10/29/59/669102959.db2.gz DCQRBKGGUFTSKR-GFCCVEGCSA-N 1 0 324.312 0.883 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000788960003 669464896 /nfs/dbraw/zinc/46/48/96/669464896.db2.gz JQHZHMVCJQDISJ-GFCCVEGCSA-N 1 0 323.349 0.940 20 5 DCBDRO O=C1NCCN1CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000933586187 669506136 /nfs/dbraw/zinc/50/61/36/669506136.db2.gz MLKOZGGLDGYBIH-UHFFFAOYSA-N 1 0 322.369 0.529 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935399288 669717197 /nfs/dbraw/zinc/71/71/97/669717197.db2.gz IOWJJDRKUKTFNN-DZKIICNBSA-N 1 0 319.361 0.881 20 5 DCBDRO Nc1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc(CO)c1[N+](=O)[O-] ZINC000804397295 670292928 /nfs/dbraw/zinc/29/29/28/670292928.db2.gz WTMZNFWPVVNSIN-CHWSQXEVSA-N 1 0 322.365 0.944 20 5 DCBDRO [NH3+]C1(CO)CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000804457832 670295299 /nfs/dbraw/zinc/29/52/99/670295299.db2.gz DWUJUYLUBCOARN-UHFFFAOYSA-N 1 0 309.351 0.890 20 5 DCBDRO O=C(N1CC[NH2+]CC1)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857762836 670944942 /nfs/dbraw/zinc/94/49/42/670944942.db2.gz FVEAJPBJHUCEJK-UHFFFAOYSA-N 1 0 301.249 0.998 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000850864567 670950970 /nfs/dbraw/zinc/95/09/70/670950970.db2.gz PXWVPZOWNYUKCH-ZETCQYMHSA-N 1 0 312.301 0.705 20 5 DCBDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000817960914 670956340 /nfs/dbraw/zinc/95/63/40/670956340.db2.gz UFWZUMQEAJSMIB-JTQLQIEISA-N 1 0 315.713 0.755 20 5 DCBDRO C[C@@H]1COCCN1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819018492 671085172 /nfs/dbraw/zinc/08/51/72/671085172.db2.gz UBSVBCWVMUUUGE-DOMZBBRYSA-N 1 0 309.366 0.939 20 5 DCBDRO CCNS(=O)(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819043264 671088396 /nfs/dbraw/zinc/08/83/96/671088396.db2.gz RAPDVRCXEFAZSQ-LBPRGKRZSA-N 1 0 317.367 0.157 20 5 DCBDRO CC[S@@](=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819046872 671089084 /nfs/dbraw/zinc/08/90/84/671089084.db2.gz DMPGRWASNHNEJX-WSVYEEACSA-N 1 0 316.379 0.693 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000819052999 671090054 /nfs/dbraw/zinc/09/00/54/671090054.db2.gz HUYPIBFNAFJUEN-YPMHNXCESA-N 1 0 314.363 0.795 20 5 DCBDRO O=C1C[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819131866 671097555 /nfs/dbraw/zinc/09/75/55/671097555.db2.gz QLNJDGXZOBHOGS-RISCZKNCSA-N 1 0 305.334 0.981 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000819178381 671100565 /nfs/dbraw/zinc/10/05/65/671100565.db2.gz WSWOQKPECLQHNE-CQDKDKBSSA-N 1 0 309.366 0.937 20 5 DCBDRO CON(C)C(=O)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000819267739 671107462 /nfs/dbraw/zinc/10/74/62/671107462.db2.gz WTBFMJCHGPLKKK-UHFFFAOYSA-N 1 0 307.310 0.971 20 5 DCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1[NH2+]CC12CCOCC2 ZINC000852792076 671160776 /nfs/dbraw/zinc/16/07/76/671160776.db2.gz QSRMIVGLQFJQCM-CYBMUJFWSA-N 1 0 305.334 0.980 20 5 DCBDRO [NH3+]C[C@@H]1CC(C(=O)NCCNc2ccccc2[N+](=O)[O-])=NO1 ZINC000852805160 671162494 /nfs/dbraw/zinc/16/24/94/671162494.db2.gz QWIYPYUSLHMQOK-VIFPVBQESA-N 1 0 307.310 0.227 20 5 DCBDRO COc1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000852820623 671166890 /nfs/dbraw/zinc/16/68/90/671166890.db2.gz SKGANQVCPJZFNI-SECBINFHSA-N 1 0 308.294 0.323 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C ZINC000853824727 671271028 /nfs/dbraw/zinc/27/10/28/671271028.db2.gz OSXLUWHRDXUSMY-UHFFFAOYSA-N 1 0 319.365 0.783 20 5 DCBDRO O=[N+]([O-])c1ccc2[nH]nc(-c3nc(N4CC[NH2+]CC4)no3)c2c1 ZINC000823315942 671385610 /nfs/dbraw/zinc/38/56/10/671385610.db2.gz RFDMJRLPNHYTJK-UHFFFAOYSA-N 1 0 315.293 0.931 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000823641706 671403590 /nfs/dbraw/zinc/40/35/90/671403590.db2.gz KUZSORHJCJHUAB-WDEREUQCSA-N 1 0 309.370 0.945 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)n1 ZINC000827264427 671520050 /nfs/dbraw/zinc/52/00/50/671520050.db2.gz BQXFBZYSIKMFEG-MNOVXSKESA-N 1 0 307.354 0.977 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000828512603 671554711 /nfs/dbraw/zinc/55/47/11/671554711.db2.gz WOELPRWHNSCBPW-RYUDHWBXSA-N 1 0 307.354 0.652 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CCC[NH2+]C1 ZINC000832357629 671716147 /nfs/dbraw/zinc/71/61/47/671716147.db2.gz JKEKZQQRQZFNNW-NSHDSACASA-N 1 0 303.322 0.813 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000832398213 671717636 /nfs/dbraw/zinc/71/76/36/671717636.db2.gz SMKTYUKHUKKSJE-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000832569367 671725678 /nfs/dbraw/zinc/72/56/78/671725678.db2.gz TYILLPCQHZZCAP-NSHDSACASA-N 1 0 322.365 0.899 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000867243667 671890764 /nfs/dbraw/zinc/89/07/64/671890764.db2.gz ZOTYMYRAJCBXRC-UHFFFAOYSA-N 1 0 313.329 0.971 20 5 DCBDRO Cc1cccc([C@@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843090323 672060706 /nfs/dbraw/zinc/06/07/06/672060706.db2.gz WSYILIXDAWKRIT-CABCVRRESA-N 1 0 320.349 0.784 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCn2cc(CO)nn2)c1 ZINC000843098154 672061192 /nfs/dbraw/zinc/06/11/92/672061192.db2.gz VFNGIAXUJLJIOG-AWEZNQCLSA-N 1 0 321.337 0.392 20 5 DCBDRO CC(=O)NC1CC2(C1)CC([NH2+]Cc1c([N+](=O)[O-])ncn1C)C2 ZINC000963433477 689049454 /nfs/dbraw/zinc/04/94/54/689049454.db2.gz JCHXKMCKDUYXDZ-UHFFFAOYSA-N 1 0 307.354 0.865 20 5 DCBDRO CCn1ccnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139328 693709958 /nfs/dbraw/zinc/70/99/58/693709958.db2.gz XOKNPDXMXVVUNB-DDHJBXDOSA-N 1 0 307.354 0.305 20 5 DCBDRO Cc1nc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c(C)o1 ZINC001020139498 693710746 /nfs/dbraw/zinc/71/07/46/693710746.db2.gz BJCNPFWTXBLHOF-PRULPYPASA-N 1 0 308.338 0.693 20 5 DCBDRO COc1nccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001566453255 1159985581 /nfs/dbraw/zinc/98/55/81/1159985581.db2.gz HQYILXPWBWPOHH-VXGBXAGGSA-N 1 0 323.353 0.089 20 5 DCBDRO Cc1n[nH]cc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001567541082 1160412906 /nfs/dbraw/zinc/41/29/06/1160412906.db2.gz YEXFGWTTYQFVNN-UHFFFAOYSA-N 1 0 321.341 0.222 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)Cn1cncn1 ZINC001567603256 1160437140 /nfs/dbraw/zinc/43/71/40/1160437140.db2.gz UBWSPKSSMIOLGQ-UHFFFAOYSA-N 1 0 318.337 0.435 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC1CC[NH+](C2CCC2)CC1 ZINC001569148048 1160959705 /nfs/dbraw/zinc/95/97/05/1160959705.db2.gz XLSPEIOYUAIOJK-UHFFFAOYSA-N 1 0 307.354 0.924 20 5 DCBDRO C[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])C[C@@H](O)C[NH2+]1 ZINC001573596596 1163513375 /nfs/dbraw/zinc/51/33/75/1163513375.db2.gz IVPXENKOPIUXIL-YGRLFVJLSA-N 1 0 308.338 0.236 20 5 DCBDRO CC(C)Oc1cc(C(=O)NC[C@]2(O)CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC001575799266 1164155787 /nfs/dbraw/zinc/15/57/87/1164155787.db2.gz RLQHVYZOZAWHCX-HNNXBMFYSA-N 1 0 323.349 0.836 20 5 DCBDRO C[C@](CO)(NC(=O)[C@H]1[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001576039056 1164219111 /nfs/dbraw/zinc/21/91/11/1164219111.db2.gz XXKHLIAJKBEQFN-IUODEOHRSA-N 1 0 307.350 0.917 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001579242160 1165247387 /nfs/dbraw/zinc/24/73/87/1165247387.db2.gz LGUQWBDUTHYKQU-OAHLLOKOSA-N 1 0 323.349 0.724 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)NCC2(O)C[NH2+]C2)cc1[N+](=O)[O-] ZINC001579667024 1165373442 /nfs/dbraw/zinc/37/34/42/1165373442.db2.gz GGASHDAMRPDBCE-JTQLQIEISA-N 1 0 308.338 0.598 20 5 DCBDRO [NH3+]CC1(NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCOCC1 ZINC001580245220 1165546500 /nfs/dbraw/zinc/54/65/00/1165546500.db2.gz FSNDYMDVQKXJPT-UHFFFAOYSA-N 1 0 323.305 0.561 20 5 DCBDRO [NH3+]CC[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)c2ccccc21 ZINC001580289049 1165560365 /nfs/dbraw/zinc/56/03/65/1165560365.db2.gz JQMPQLYZPYWWIX-SNVBAGLBSA-N 1 0 316.321 0.666 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1CC[NH2+]C[C@@H]1F ZINC001580582826 1165645167 /nfs/dbraw/zinc/64/51/67/1165645167.db2.gz YNLSNMVBUVILSI-RYUDHWBXSA-N 1 0 321.312 0.761 20 5 DCBDRO O=C(NCCNc1ncnc2ccc([N+](=O)[O-])cc21)C1C[NH2+]C1 ZINC001580691601 1165688398 /nfs/dbraw/zinc/68/83/98/1165688398.db2.gz KRBJLOWXSPJHQP-UHFFFAOYSA-N 1 0 316.321 0.286 20 5 DCBDRO O=[N+]([O-])c1cc(CO)c(NCCCN2CC[NH2+]CC2)cc1F ZINC001580874975 1165749207 /nfs/dbraw/zinc/74/92/07/1165749207.db2.gz RUOOYAHEVIOAJF-UHFFFAOYSA-N 1 0 312.345 0.933 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589821448 1166693003 /nfs/dbraw/zinc/69/30/03/1166693003.db2.gz RVAPXAFYBCCUEJ-QMMMGPOBSA-N 1 0 306.330 0.922 20 5 DCBDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590167044 1166794914 /nfs/dbraw/zinc/79/49/14/1166794914.db2.gz BLPYDFMHFZLRCW-JOYOIKCWSA-N 1 0 318.337 0.978 20 5 DCBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590213806 1166814211 /nfs/dbraw/zinc/81/42/11/1166814211.db2.gz KMDHRXVATAPRTL-KCJUWKMLSA-N 1 0 304.310 0.730 20 5 DCBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001590692816 1166977710 /nfs/dbraw/zinc/97/77/10/1166977710.db2.gz ORRWBCXKSZOANR-UHFFFAOYSA-N 1 0 320.357 0.948 20 5 DCBDRO O=[N+]([O-])CC[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC001593466648 1167857251 /nfs/dbraw/zinc/85/72/51/1167857251.db2.gz LCUWAAOOZGIAGB-UHFFFAOYSA-N 1 0 308.367 0.966 20 5 DCBDRO CCc1nccn1CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001595406443 1167972394 /nfs/dbraw/zinc/97/23/94/1167972394.db2.gz HSWDLVUBHANIQR-UHFFFAOYSA-N 1 0 319.321 0.332 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001596787872 1167995630 /nfs/dbraw/zinc/99/56/30/1167995630.db2.gz MNQYXRHLJWRKKU-JFGNBEQYSA-N 1 0 323.353 0.642 20 5 DCBDRO CN(CC[N@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001609275720 1170907261 /nfs/dbraw/zinc/90/72/61/1170907261.db2.gz DYGZPQKRFBQXGG-UHFFFAOYSA-N 1 0 318.341 0.700 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC001609602672 1171039666 /nfs/dbraw/zinc/03/96/66/1171039666.db2.gz CFKPMXTWVBMTDP-IUCAKERBSA-N 1 0 301.310 0.431 20 5 DCBDRO C[C@@H](CC(N)=O)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001621339797 1171408631 /nfs/dbraw/zinc/40/86/31/1171408631.db2.gz SIWQFANSYWHXPB-JTQLQIEISA-N 1 0 307.354 0.812 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC001634744686 1171686575 /nfs/dbraw/zinc/68/65/75/1171686575.db2.gz LPYUKPOQOOBDET-UHFFFAOYSA-N 1 0 320.349 0.590 20 5 DCBDRO Cc1cc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)c(N)c([N+](=O)[O-])c1 ZINC001635940410 1171718751 /nfs/dbraw/zinc/71/87/51/1171718751.db2.gz BECKLXGIELIKPM-SNVBAGLBSA-N 1 0 320.349 0.688 20 5 DCBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+](C2CC2)C1 ZINC001636746489 1171747281 /nfs/dbraw/zinc/74/72/81/1171747281.db2.gz YDNBVCVUVDSVOI-SNVBAGLBSA-N 1 0 308.342 0.129 20 5 DCBDRO CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@](C)(CO)C1 ZINC001644129876 1171997685 /nfs/dbraw/zinc/99/76/85/1171997685.db2.gz WSNUBDZVTWQVRK-WFASDCNBSA-N 1 0 323.349 0.665 20 5 DCBDRO CC(C)(O)[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001644832963 1172022682 /nfs/dbraw/zinc/02/26/82/1172022682.db2.gz PHGWTAUEETVTQI-PWSUYJOCSA-N 1 0 310.354 0.608 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001648402126 1173073970 /nfs/dbraw/zinc/07/39/70/1173073970.db2.gz IVTSRODAEKZLFQ-MNOVXSKESA-N 1 0 309.322 0.859 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@]23C[C@H]2COC32CCC2)c1 ZINC001648418158 1173074978 /nfs/dbraw/zinc/07/49/78/1173074978.db2.gz HYCSPQRWFDAYQB-ZKYQVNSYSA-N 1 0 308.338 0.453 20 5 DCBDRO COc1cc(C[NH2+]CCCOCCO)c([N+](=O)[O-])cc1O ZINC001650827828 1173733730 /nfs/dbraw/zinc/73/37/30/1173733730.db2.gz QEVGFLJLTKFJRF-UHFFFAOYSA-N 1 0 300.311 0.798 20 5 DCBDRO C[NH+](C)CC[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC001652231642 1173765465 /nfs/dbraw/zinc/76/54/65/1173765465.db2.gz WOMTXQWFVIIBEJ-JTQLQIEISA-N 1 0 307.354 0.867 20 5 DCBDRO Nc1nc(N2CCC[C@@H]([NH2+]C3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001652186542 1173765468 /nfs/dbraw/zinc/76/54/68/1173765468.db2.gz YPAJCJCJOMXLMN-LLVKDONJSA-N 1 0 322.369 0.704 20 5 DCBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 ZINC001654229440 1173802052 /nfs/dbraw/zinc/80/20/52/1173802052.db2.gz MXJISZGIWDMXEJ-MIMYLULJSA-N 1 0 306.322 0.174 20 5 DCBDRO CC1(C)CNC(=O)[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001654676945 1173809160 /nfs/dbraw/zinc/80/91/60/1173809160.db2.gz SLHMJNWNISXHAN-GWCFXTLKSA-N 1 0 323.349 0.449 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC001655303393 1173817719 /nfs/dbraw/zinc/81/77/19/1173817719.db2.gz JNYGZNDORHTRHI-LLVKDONJSA-N 1 0 322.369 0.247 20 5 DCBDRO COc1ccc2ncc([N+](=O)[O-])c(N[C@H](CO)C[NH+](C)C)c2c1 ZINC001655534123 1173822611 /nfs/dbraw/zinc/82/26/11/1173822611.db2.gz CTHPEDVNNGPZEK-JTQLQIEISA-N 1 0 320.349 0.908 20 5 DCBDRO CO[C@@](C)(CO)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001658453605 1173921420 /nfs/dbraw/zinc/92/14/20/1173921420.db2.gz LBIVMZAIMUIOEM-OAHLLOKOSA-N 1 0 324.381 0.946 20 5 DCBDRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659189749 1173931124 /nfs/dbraw/zinc/93/11/24/1173931124.db2.gz OHRPLKSBIMOMTD-WZRBSPASSA-N 1 0 322.365 0.731 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCC[C@@H](CO)[C@H]2CO)cc1 ZINC001659623291 1173933907 /nfs/dbraw/zinc/93/39/07/1173933907.db2.gz ZIWMSABCOMVEHR-NWANDNLSSA-N 1 0 310.350 0.693 20 5 DCBDRO COCC[C@H](CO)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001659585415 1173934491 /nfs/dbraw/zinc/93/44/91/1173934491.db2.gz BWHCQGXQBBZELU-CYBMUJFWSA-N 1 0 324.381 0.946 20 5 DCBDRO C[C@](CO)([NH2+]C[C@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC001659768560 1173935626 /nfs/dbraw/zinc/93/56/26/1173935626.db2.gz HLIDQDGWFQOLTM-LSDHHAIUSA-N 1 0 320.349 0.650 20 5 DCBDRO Cc1nn(C)cc1C[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001673434046 1175201682 /nfs/dbraw/zinc/20/16/82/1175201682.db2.gz CGLMGEVDQOTSJQ-ZIAGYGMSSA-N 1 0 323.397 0.674 20 5 DCBDRO CC(=O)NCC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001713938362 1181161084 /nfs/dbraw/zinc/16/10/84/1181161084.db2.gz BQYOPDATLMBJBD-JOCQHMNTSA-N 1 0 320.349 0.468 20 5 DCBDRO Cc1ccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC001714537437 1181406991 /nfs/dbraw/zinc/40/69/91/1181406991.db2.gz UGDSQYHHFFERQJ-ZIAGYGMSSA-N 1 0 306.366 0.912 20 5 DCBDRO Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C)n1 ZINC001714703593 1181491868 /nfs/dbraw/zinc/49/18/68/1181491868.db2.gz JUVAQEYIOOXXMS-ZIAGYGMSSA-N 1 0 306.366 0.912 20 5 DCBDRO O=C(NCc1ccc(C[NH2+]CCO)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001718034490 1183119501 /nfs/dbraw/zinc/11/95/01/1183119501.db2.gz KMYRUOBURUDAGU-DGCLKSJQSA-N 1 0 311.313 0.189 20 5 DCBDRO CN(CC[N@H+](C)CCc1ccns1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732581567 1185859891 /nfs/dbraw/zinc/85/98/91/1185859891.db2.gz GOFFZRRAUHODBO-VXGBXAGGSA-N 1 0 312.395 0.741 20 5 DCBDRO CC(=O)NCC(=O)NC/C=C/C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001732818261 1185983287 /nfs/dbraw/zinc/98/32/87/1185983287.db2.gz RSRYOSFHAMTCMQ-NSCUHMNNSA-N 1 0 320.349 0.493 20 5 DCBDRO CCN(CC[NH2+]Cc1cc(C)ncn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001754045219 1188721178 /nfs/dbraw/zinc/72/11/78/1188721178.db2.gz ILHOFUWVHFCNJG-CHWSQXEVSA-N 1 0 307.354 0.388 20 5 DCBDRO O=[N+]([O-])c1cc(N2CCN3CC[NH2+]C[C@H]3C2)nc2[nH]ccc21 ZINC001164408018 718836767 /nfs/dbraw/zinc/83/67/67/718836767.db2.gz XKVHGEHRCPHJCZ-JTQLQIEISA-N 1 0 302.338 0.565 20 5 DCBDRO COC(=O)c1cnc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000357711392 719384299 /nfs/dbraw/zinc/38/42/99/719384299.db2.gz UHNQIHOAVRIXAR-NEPJUHHUSA-N 1 0 322.321 0.296 20 5 DCBDRO Cn1cnc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC001125681219 747479694 /nfs/dbraw/zinc/47/96/94/747479694.db2.gz RCCMEWULRRWUIB-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO [NH3+]CCc1nnn(-c2nc(C3CC3)nc(Cl)c2[N+](=O)[O-])n1 ZINC001167787990 748304051 /nfs/dbraw/zinc/30/40/51/748304051.db2.gz LQBMXNPXHICRCI-UHFFFAOYSA-N 1 0 310.705 0.393 20 5 DCBDRO CN(C)c1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001126932288 750143974 /nfs/dbraw/zinc/14/39/74/750143974.db2.gz QNUIOIAFTNJNMF-VXGBXAGGSA-N 1 0 307.354 0.019 20 5 DCBDRO CCOc1cnc(N(C)S(=O)(=O)CC[NH3+])c([N+](=O)[O-])c1 ZINC001164287239 756674624 /nfs/dbraw/zinc/67/46/24/756674624.db2.gz NXCCEGIARKFLAZ-UHFFFAOYSA-N 1 0 304.328 0.113 20 5 DCBDRO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001170338715 762621766 /nfs/dbraw/zinc/62/17/66/762621766.db2.gz XRVOHADCUCYRNE-UHFFFAOYSA-N 1 0 303.282 0.567 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnccn1 ZINC001122827997 767880267 /nfs/dbraw/zinc/88/02/67/767880267.db2.gz WNSQHZKXOUGNSI-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO Cn1nccc1CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086082798 759691846 /nfs/dbraw/zinc/69/18/46/759691846.db2.gz DIZPAAYJIIXMPP-ZMJPVWNMSA-N 1 0 321.381 0.112 20 5 DCBDRO Cn1cc(CC[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001086363160 760100848 /nfs/dbraw/zinc/10/08/48/760100848.db2.gz FHQKNZCBISFSBR-AAVRWANBSA-N 1 0 321.381 0.112 20 5 DCBDRO CS(=O)(=O)N1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1 ZINC001168976748 760527518 /nfs/dbraw/zinc/52/75/18/760527518.db2.gz GAQYSOXHODWPAP-UTUOFQBUSA-N 1 0 305.400 0.445 20 5 DCBDRO COC(=O)Cc1ccc(-n2cc(CC[NH3+])cn2)cc1[N+](=O)[O-] ZINC001168949991 760521395 /nfs/dbraw/zinc/52/13/95/760521395.db2.gz QPXNGBPGBFGNMO-UHFFFAOYSA-N 1 0 304.306 0.997 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(O)O)C1 ZINC001168984466 760530592 /nfs/dbraw/zinc/53/05/92/760530592.db2.gz OICRSWMQUOXPFV-BZPMIXESSA-N 1 0 310.350 0.649 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCN2CCS(=O)(=O)CC2)C1 ZINC001168984731 760530859 /nfs/dbraw/zinc/53/08/59/760530859.db2.gz AAQDAOIFBLZDDD-CHWSQXEVSA-N 1 0 319.427 0.142 20 5 DCBDRO CC1(C)O[C@@H]2[C@@H](O)C[C@@H]([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)[C@@H]2O1 ZINC001168975490 760536578 /nfs/dbraw/zinc/53/65/78/760536578.db2.gz VYZCVLDBXBAHQC-NMIFLECGSA-N 1 0 300.355 0.675 20 5 DCBDRO Cc1nc(CC[NH3+])nn1-c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001168993067 760539035 /nfs/dbraw/zinc/53/90/35/760539035.db2.gz XURWWNJBOXPLBG-UHFFFAOYSA-N 1 0 303.326 0.757 20 5 DCBDRO CC(C)[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001169002270 760541929 /nfs/dbraw/zinc/54/19/29/760541929.db2.gz JXSJYEMGXBIGNC-BJDJZHNGSA-N 1 0 314.386 0.036 20 5 DCBDRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001129996853 763076016 /nfs/dbraw/zinc/07/60/16/763076016.db2.gz XBULXAVAEASFKS-UHFFFAOYSA-N 1 0 319.321 0.852 20 5 DCBDRO O=C(CNC(=O)C1CC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124084564 768123021 /nfs/dbraw/zinc/12/30/21/768123021.db2.gz RYWAZIGVHKLQBH-UHFFFAOYSA-N 1 0 320.349 0.327 20 5 DCBDRO CCOC(=O)c1cnc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170564321 763839617 /nfs/dbraw/zinc/83/96/17/763839617.db2.gz PVVNEGOGTZQHFK-JOYOIKCWSA-N 1 0 324.337 0.955 20 5 DCBDRO Cn1c(=O)[nH]cc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132366913 764407773 /nfs/dbraw/zinc/40/77/73/764407773.db2.gz DSZKBNVPQJYRRT-UHFFFAOYSA-N 1 0 319.321 0.554 20 5 DCBDRO NC(=O)C1(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001133184702 764862726 /nfs/dbraw/zinc/86/27/26/764862726.db2.gz BPRKIAAVURUESX-UHFFFAOYSA-N 1 0 306.322 0.066 20 5 DCBDRO O=C(Cc1nc[nH]n1)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001170716995 765281885 /nfs/dbraw/zinc/28/18/85/765281885.db2.gz BYJHFDPIMORTAU-UHFFFAOYSA-N 1 0 324.366 0.613 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170778749 765728472 /nfs/dbraw/zinc/72/84/72/765728472.db2.gz NNVPMTLWGIAGCA-RKDXNWHRSA-N 1 0 310.310 0.077 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170778739 765728833 /nfs/dbraw/zinc/72/88/33/765728833.db2.gz NNVPMTLWGIAGCA-BDAKNGLRSA-N 1 0 310.310 0.077 20 5 DCBDRO CCOC(=O)c1ccc(N[C@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170783214 765755186 /nfs/dbraw/zinc/75/51/86/765755186.db2.gz QTSXMQFRAQLKFB-PWSUYJOCSA-N 1 0 309.322 0.764 20 5 DCBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170788866 765782340 /nfs/dbraw/zinc/78/23/40/765782340.db2.gz KTGKOOVKGQKVOL-KOLCDFICSA-N 1 0 309.322 0.682 20 5 DCBDRO Cn1ncc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001135283415 765868053 /nfs/dbraw/zinc/86/80/53/765868053.db2.gz YPLPVMKIDHKFRW-UHFFFAOYSA-N 1 0 304.310 0.243 20 5 DCBDRO O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001116868857 765920948 /nfs/dbraw/zinc/92/09/48/765920948.db2.gz QLBRJBLWZGQUIT-JTQLQIEISA-N 1 0 323.353 0.549 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnn1 ZINC001135640912 766019473 /nfs/dbraw/zinc/01/94/73/766019473.db2.gz GGWCEAIISBDHMA-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118044499 766206749 /nfs/dbraw/zinc/20/67/49/766206749.db2.gz JFTYTJMPZGLZRC-GFCCVEGCSA-N 1 0 318.333 0.305 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncnc2cccc([N+](=O)[O-])c21 ZINC001159865484 766288141 /nfs/dbraw/zinc/28/81/41/766288141.db2.gz ICQQXOZAICHHQQ-UHFFFAOYSA-N 1 0 319.321 0.866 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001119352149 766642462 /nfs/dbraw/zinc/64/24/62/766642462.db2.gz JUAXZZDMZITMJG-NSHDSACASA-N 1 0 322.365 0.449 20 5 DCBDRO Cc1nnc([C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH]1 ZINC001171217232 767021064 /nfs/dbraw/zinc/02/10/64/767021064.db2.gz OMNOKEQARICQHV-JQWIXIFHSA-N 1 0 321.341 0.068 20 5 DCBDRO CNC(=O)[C@H](C[NH2+]CC[N+](=O)[O-])Cc1ccc(OC)c(F)c1 ZINC001120607132 767092899 /nfs/dbraw/zinc/09/28/99/767092899.db2.gz BPBLCSXAEFQZRO-NSHDSACASA-N 1 0 313.329 0.605 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001121025117 767360158 /nfs/dbraw/zinc/36/01/58/767360158.db2.gz UIDDDMYEKDPXMV-JTQLQIEISA-N 1 0 322.321 0.362 20 5 DCBDRO O=C(Cc1nc[nH]n1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147277516 767704052 /nfs/dbraw/zinc/70/40/52/767704052.db2.gz GTJWOZYFOWKTMX-UHFFFAOYSA-N 1 0 304.310 0.161 20 5 DCBDRO O=C([C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC001122081834 767711866 /nfs/dbraw/zinc/71/18/66/767711866.db2.gz JULMEQJAXRWFGQ-ZIAGYGMSSA-N 1 0 317.345 0.899 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC001122314188 767766223 /nfs/dbraw/zinc/76/62/23/767766223.db2.gz VTGWZFWYCQORTL-CYBMUJFWSA-N 1 0 323.349 0.811 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@@H]1C[NH2+]CC12CC2 ZINC001122498417 767818103 /nfs/dbraw/zinc/81/81/03/767818103.db2.gz MXMHUAHFDQJQOK-GFCCVEGCSA-N 1 0 309.297 0.981 20 5 DCBDRO C[N@H+](CC(=O)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCC1 ZINC001094221755 768889646 /nfs/dbraw/zinc/88/96/46/768889646.db2.gz PHHOGISGBFFCNG-UHFFFAOYSA-N 1 0 323.353 0.708 20 5 DCBDRO CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])nn2)C1 ZINC001094291401 768977814 /nfs/dbraw/zinc/97/78/14/768977814.db2.gz QXPRQYOUTJQTHT-CHWSQXEVSA-N 1 0 322.369 0.216 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H](O)CO)c1F ZINC001173175405 769555155 /nfs/dbraw/zinc/55/51/55/769555155.db2.gz BSTIWKAFRHHBTE-DTWKUNHWSA-N 1 0 302.302 0.616 20 5 DCBDRO CN1CCc2cc(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2C1=O ZINC001234608771 769703145 /nfs/dbraw/zinc/70/31/45/769703145.db2.gz AGURXQZWGJFRQS-CYBMUJFWSA-N 1 0 321.397 0.677 20 5 DCBDRO COC(=O)NC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC001174890535 769810370 /nfs/dbraw/zinc/81/03/70/769810370.db2.gz IPQAYWFHRMQAKF-UHFFFAOYSA-N 1 0 311.342 0.920 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902012 770242945 /nfs/dbraw/zinc/24/29/45/770242945.db2.gz FCKFFAYEWFCEKC-MNOVXSKESA-N 1 0 305.338 0.881 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@@H](C)CN2CC[NH2+]CC2)n1 ZINC001154748759 770283681 /nfs/dbraw/zinc/28/36/81/770283681.db2.gz NSJWWTKAHRTRTP-VIFPVBQESA-N 1 0 310.358 0.407 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CCOC3=O)C2)c([N+](=O)[O-])c1 ZINC001177003226 770289197 /nfs/dbraw/zinc/28/91/97/770289197.db2.gz UERWWZCILYQGLC-OAHLLOKOSA-N 1 0 319.317 0.833 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1c(C)c([N+](=O)[O-])cc[n+]1[O-] ZINC001155083717 770391225 /nfs/dbraw/zinc/39/12/25/770391225.db2.gz HPWSCERKKNJAGR-UHFFFAOYSA-N 1 0 321.293 0.358 20 5 DCBDRO CCCOCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155402961 770492563 /nfs/dbraw/zinc/49/25/63/770492563.db2.gz SMTVRRNZLMCPBW-UHFFFAOYSA-N 1 0 313.358 0.351 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2ncnc3ccc([N+](=O)[O-])cc32)N1 ZINC001155569832 770546566 /nfs/dbraw/zinc/54/65/66/770546566.db2.gz HVDBEIOWIHWMAA-FZMZJTMJSA-N 1 0 314.305 0.528 20 5 DCBDRO COCCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178450149 770744544 /nfs/dbraw/zinc/74/45/44/770744544.db2.gz USKDURFOKPDAPK-CHWSQXEVSA-N 1 0 301.387 0.954 20 5 DCBDRO CCOC(=O)CN(CCC[NH3+])c1ncc([N+](=O)[O-])c(OC)n1 ZINC001157544549 771629272 /nfs/dbraw/zinc/62/92/72/771629272.db2.gz OADVWPKLWABHGE-UHFFFAOYSA-N 1 0 313.314 0.112 20 5 DCBDRO CC1(C)C[C@H](CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])O1 ZINC001157662329 771650917 /nfs/dbraw/zinc/65/09/17/771650917.db2.gz DPATTWVBPAIICS-SNVBAGLBSA-N 1 0 322.369 0.774 20 5 DCBDRO COC(=O)c1cnc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001157980286 771706349 /nfs/dbraw/zinc/70/63/49/771706349.db2.gz QOVWZPUSKWTPOH-SNVBAGLBSA-N 1 0 317.305 0.778 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001158634273 771796951 /nfs/dbraw/zinc/79/69/51/771796951.db2.gz AWCVFQCSBWVVQH-QMTHXVAHSA-N 1 0 306.322 0.721 20 5 DCBDRO COC(=O)c1ccnc(N[C@@H](C)[C@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159497216 771919627 /nfs/dbraw/zinc/91/96/27/771919627.db2.gz HESOZBRVYRGXNB-WCBMZHEXSA-N 1 0 310.310 0.565 20 5 DCBDRO C[C@H]1COCC[C@@H]1Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001159709077 771947833 /nfs/dbraw/zinc/94/78/33/771947833.db2.gz NPEAQNAXJGEMAN-QWRGUYRKSA-N 1 0 322.369 0.631 20 5 DCBDRO C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC001185801298 771957882 /nfs/dbraw/zinc/95/78/82/771957882.db2.gz DIMHQYJEYODTAQ-CHWSQXEVSA-N 1 0 322.413 0.791 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001159864363 771970565 /nfs/dbraw/zinc/97/05/65/771970565.db2.gz SFBTUYPYOAIEQD-UHFFFAOYSA-N 1 0 313.270 0.226 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N[C@]2(C[NH3+])CN3CCC2CC3)n1 ZINC001160514355 772055831 /nfs/dbraw/zinc/05/58/31/772055831.db2.gz VZMQLLWHRRXDJE-CQSZACIVSA-N 1 0 322.369 0.537 20 5 DCBDRO COc1nc(C)nc(NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001161700491 772268230 /nfs/dbraw/zinc/26/82/30/772268230.db2.gz FMSYPYKMXHAUIB-UHFFFAOYSA-N 1 0 324.385 0.751 20 5 DCBDRO CC1(C)C(=O)NC[C@H]1Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163015436 772443858 /nfs/dbraw/zinc/44/38/58/772443858.db2.gz MWGXXUMYKQGYDK-SECBINFHSA-N 1 0 306.326 0.008 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NCC[C@H]2CCOC23C[NH2+]C3)n1 ZINC001163081848 772457263 /nfs/dbraw/zinc/45/72/63/772457263.db2.gz OUFZXOLPLRZTGL-VIFPVBQESA-N 1 0 309.326 0.574 20 5 DCBDRO O=[N+]([O-])c1cc(NCc2noc3c2C[NH2+]CC3)cn2cnnc12 ZINC001163134332 772469491 /nfs/dbraw/zinc/46/94/91/772469491.db2.gz OPGSRQVPFZPZQG-UHFFFAOYSA-N 1 0 315.293 0.883 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)c1 ZINC001163252712 772492426 /nfs/dbraw/zinc/49/24/26/772492426.db2.gz BDCQXVRGGKPDOK-RISCZKNCSA-N 1 0 320.305 0.371 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1N(CC[NH3+])CCO ZINC001163840324 772581283 /nfs/dbraw/zinc/58/12/83/772581283.db2.gz UYWCPXXPBGUHQF-UHFFFAOYSA-N 1 0 317.729 0.792 20 5 DCBDRO CN1CCC(CNc2c[n+]([O-])ccc2[N+](=O)[O-])([NH+](C)C)CC1 ZINC001164213241 772627129 /nfs/dbraw/zinc/62/71/29/772627129.db2.gz QNKOORDQDVYORM-UHFFFAOYSA-N 1 0 309.370 0.666 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](O)[C@H](F)CC2)nc1C1C[NH2+]C1 ZINC001164241895 772629822 /nfs/dbraw/zinc/62/98/22/772629822.db2.gz GLWQFMKTWLBXLD-MWLCHTKSSA-N 1 0 311.317 0.371 20 5 DCBDRO O=[N+]([O-])c1ccc2ncnc(N3C[C@H]4C[NH2+]C[C@@]4(CO)C3)c2c1 ZINC001165284322 772717129 /nfs/dbraw/zinc/71/71/29/772717129.db2.gz ZBNXAJYUTJYJSZ-BMIGLBTASA-N 1 0 315.333 0.556 20 5 DCBDRO COc1cc(N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165288901 772718758 /nfs/dbraw/zinc/71/87/58/772718758.db2.gz XUBJLNZYMAFZAC-ZWNOBZJWSA-N 1 0 308.338 0.813 20 5 DCBDRO O=C1NCCN(c2ccc3cccc([N+](=O)[O-])c3n2)C12C[NH2+]C2 ZINC001165297729 772719830 /nfs/dbraw/zinc/71/98/30/772719830.db2.gz GYMHYGQDDDOEOY-UHFFFAOYSA-N 1 0 313.317 0.421 20 5 DCBDRO COCc1nn(-c2nc(Cl)ncc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165632118 772751238 /nfs/dbraw/zinc/75/12/38/772751238.db2.gz NMLBSGMKYRZOMJ-UHFFFAOYSA-N 1 0 310.701 0.974 20 5 DCBDRO COCc1nn(-c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c2c1C[NH2+]C2 ZINC001165632184 772751331 /nfs/dbraw/zinc/75/13/31/772751331.db2.gz OZVYPFMBGGVUDK-UHFFFAOYSA-N 1 0 320.265 0.833 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC001194782695 773253260 /nfs/dbraw/zinc/25/32/60/773253260.db2.gz VQIXEMRGBYWYLG-UHFFFAOYSA-N 1 0 320.357 0.680 20 5 DCBDRO Nc1ccc2n(C(=O)[C@H]3C[NH2+]C[C@@H]3N)c3ccccc3cc-2c1=O ZINC001219255451 774424792 /nfs/dbraw/zinc/42/47/92/774424792.db2.gz AFGGUSWYJDRMCY-JSGCOSHPSA-N 1 0 322.368 0.875 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1ccc2c(c1)OCCO2 ZINC001223739840 775514055 /nfs/dbraw/zinc/51/40/55/775514055.db2.gz JSOFRWQDTCFAEC-CYBMUJFWSA-N 1 0 310.370 0.958 20 5 DCBDRO CCNC(=O)c1ccccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225485274 775685244 /nfs/dbraw/zinc/68/52/44/775685244.db2.gz CVWMJFMROCVNEB-GFCCVEGCSA-O 1 0 309.386 0.799 20 5 DCBDRO O=C(NCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccn[nH]1 ZINC001462000662 1013046928 /nfs/dbraw/zinc/04/69/28/1013046928.db2.gz ZIYJPWFDSWSRJN-UHFFFAOYSA-N 1 0 303.322 0.880 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)CCCF ZINC001267412428 939450551 /nfs/dbraw/zinc/45/05/51/939450551.db2.gz BZPCOZIVUNLLDS-UHFFFAOYSA-N 1 0 301.322 0.626 20 5 DCBDRO CN(CCN1CC[NH+](CCCF)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001267607813 939567187 /nfs/dbraw/zinc/56/71/87/939567187.db2.gz VZHIMCIIVMUKTO-CHWSQXEVSA-N 1 0 316.377 0.087 20 5 DCBDRO Cc1ncc(C[NH2+]C/C=C/CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])s1 ZINC001268540074 940223874 /nfs/dbraw/zinc/22/38/74/940223874.db2.gz BJIMEVCXVHUXSU-JGLYPNHGSA-N 1 0 310.379 0.879 20 5 DCBDRO O=C(NC/C=C/C[NH2+]CCC1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001483007225 941774101 /nfs/dbraw/zinc/77/41/01/941774101.db2.gz HQKYDUBRSXAGMU-GEYXIOIISA-N 1 0 311.382 0.730 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3C[NH2+]C[C@H]3CO)CC2)cc1 ZINC001246300202 945379234 /nfs/dbraw/zinc/37/92/34/945379234.db2.gz QFBMJQKVCSZKEB-BLLLJJGKSA-N 1 0 320.393 0.734 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@H]2C[NH2+]C[C@H](O)C2)n1 ZINC001247749307 945571939 /nfs/dbraw/zinc/57/19/39/945571939.db2.gz PUXIZUHOMBUQHP-HTRCEHHLSA-N 1 0 309.257 0.617 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@H]2CC[NH2+]C[C@@H]2O)n1 ZINC001247755539 945572825 /nfs/dbraw/zinc/57/28/25/945572825.db2.gz NYWYQSGRZNRYMD-APPZFPTMSA-N 1 0 309.257 0.617 20 5 DCBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C)S(=O)(=O)CC[NH3+] ZINC001254534695 946407881 /nfs/dbraw/zinc/40/78/81/946407881.db2.gz BJGCCAGGJDUDMF-JTQLQIEISA-N 1 0 301.368 0.746 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])c(=O)c2ccccc21)N1CC[NH2+]CC1 ZINC001326052279 948034619 /nfs/dbraw/zinc/03/46/19/948034619.db2.gz PRJOENOTODTSPZ-UHFFFAOYSA-N 1 0 316.317 0.342 20 5 DCBDRO COCC[N@H+](C)C[C@@H](O)CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327576128 948557616 /nfs/dbraw/zinc/55/76/16/948557616.db2.gz VPSRQBVLWZRBNW-OAHLLOKOSA-N 1 0 309.366 0.850 20 5 DCBDRO NC(=O)C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001327581708 948560212 /nfs/dbraw/zinc/56/02/12/948560212.db2.gz JGDDLCNKUQJSIL-GFCCVEGCSA-N 1 0 309.322 0.252 20 5 DCBDRO Cc1cc(C)n(CC[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001265842688 950020313 /nfs/dbraw/zinc/02/03/13/950020313.db2.gz FXEIJMGQTHYCMI-ZIAGYGMSSA-N 1 0 323.397 0.603 20 5 DCBDRO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001333537022 952093681 /nfs/dbraw/zinc/09/36/81/952093681.db2.gz UJYPKHROKWDXIQ-CYBMUJFWSA-N 1 0 322.365 0.701 20 5 DCBDRO COc1ncccc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276002855 952608952 /nfs/dbraw/zinc/60/89/52/952608952.db2.gz ZLVPUIWDMVCUFO-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCn2ccnn2)c1 ZINC001336704104 952755571 /nfs/dbraw/zinc/75/55/71/952755571.db2.gz OFBQATNKZXJPJZ-LBPRGKRZSA-N 1 0 307.310 0.216 20 5 DCBDRO C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001337480431 952864650 /nfs/dbraw/zinc/86/46/50/952864650.db2.gz LXYPSGKJRZTWLH-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@@H]2C1 ZINC001339316634 953086671 /nfs/dbraw/zinc/08/66/71/953086671.db2.gz IXAPHPAWJWFWHN-UHTWSYAYSA-N 1 0 320.349 0.213 20 5 DCBDRO Cc1c(CC(=O)N2CCNCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC001341100579 953211316 /nfs/dbraw/zinc/21/13/16/953211316.db2.gz YFKRDUWXVOOQCY-UHFFFAOYSA-N 1 0 306.366 0.467 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341219977 953218134 /nfs/dbraw/zinc/21/81/34/953218134.db2.gz PHQBKOBLOHJTPJ-OAHLLOKOSA-N 1 0 320.349 0.501 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCC[C@@]12CCC[NH2+]C2 ZINC001343682284 953364292 /nfs/dbraw/zinc/36/42/92/953364292.db2.gz XLABNHDGYLGXSC-AWEZNQCLSA-N 1 0 307.354 0.926 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001345140315 953599442 /nfs/dbraw/zinc/59/94/42/953599442.db2.gz YSKDUADICSQNAL-CQSZACIVSA-N 1 0 307.354 0.844 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC001346296510 953849558 /nfs/dbraw/zinc/84/95/58/953849558.db2.gz NDMSUSNWIXKDMM-BXUZGUMPSA-N 1 0 304.350 0.599 20 5 DCBDRO COC[C@@]1(c2nc(-c3c([N+](=O)[O-])ncn3C)no2)CC[NH2+]C1 ZINC001349005489 954563709 /nfs/dbraw/zinc/56/37/09/954563709.db2.gz OPRUBMDBAWMYSR-GFCCVEGCSA-N 1 0 308.298 0.256 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC001349154431 954620333 /nfs/dbraw/zinc/62/03/33/954620333.db2.gz WNOOJQBSOZOQPB-NSHDSACASA-N 1 0 322.365 0.747 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)Cn3ccc([N+](=O)[O-])n3)C[C@H]2C1 ZINC001349840947 954903770 /nfs/dbraw/zinc/90/37/70/954903770.db2.gz NJEVOPCPUWTHQY-JHJVBQTASA-N 1 0 321.381 0.980 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC001353316077 956017566 /nfs/dbraw/zinc/01/75/66/956017566.db2.gz MGUGECZBKXOADT-MAZHCROVSA-N 1 0 322.409 0.852 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl ZINC001354461829 956397108 /nfs/dbraw/zinc/39/71/08/956397108.db2.gz JMGASPCGYJWBTQ-LLVKDONJSA-N 1 0 315.757 0.829 20 5 DCBDRO Cn1ccnc1C(=O)c1ccc(N2CC=C(N)[NH2+]2)c([N+](=O)[O-])c1 ZINC001307206762 957887479 /nfs/dbraw/zinc/88/74/79/957887479.db2.gz VGVUNNJJUSRNLS-UHFFFAOYSA-N 1 0 314.305 0.684 20 5 DCBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)C3(O)CCC3)CC2)n1 ZINC001307738184 960156053 /nfs/dbraw/zinc/15/60/53/960156053.db2.gz VNAXKLXTRKVXRO-GFCCVEGCSA-N 1 0 310.354 0.704 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2([C@@H]3CCCO3)CCC2)c1 ZINC001308159548 960167793 /nfs/dbraw/zinc/16/77/93/960167793.db2.gz DPTQFVFDRBFRCA-STQMWFEESA-N 1 0 310.354 0.844 20 5 DCBDRO CSc1ccc(C(=O)N2CCNCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001522997310 1014509953 /nfs/dbraw/zinc/50/99/53/1014509953.db2.gz BBIUACYHBQHUQX-UHFFFAOYSA-N 1 0 324.406 0.952 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001467364925 1016160806 /nfs/dbraw/zinc/16/08/06/1016160806.db2.gz MKOMRHLFOYUXCM-QMMMGPOBSA-N 1 0 309.326 0.765 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001443719699 1010609492 /nfs/dbraw/zinc/60/94/92/1010609492.db2.gz SDBAVEPDYPWYKM-UHFFFAOYSA-N 1 0 319.749 0.622 20 5 DCBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001557101916 1012261622 /nfs/dbraw/zinc/26/16/22/1012261622.db2.gz DBHRKQMUFZBMSK-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO Nc1ccc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001558549111 1012363738 /nfs/dbraw/zinc/36/37/38/1012363738.db2.gz MLOPILCBHNNIBT-JTQLQIEISA-N 1 0 306.322 0.380 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)c1[N+](=O)[O-] ZINC001558538315 1012365770 /nfs/dbraw/zinc/36/57/70/1012365770.db2.gz GPRKWQPASPNOHF-NSHDSACASA-N 1 0 323.353 0.609 20 5 DCBDRO Nc1ncc(C(=O)NC[C@@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001558680465 1012376213 /nfs/dbraw/zinc/37/62/13/1012376213.db2.gz XSKPZMMEKRXHEG-LLVKDONJSA-N 1 0 305.338 0.644 20 5 DCBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC001560474633 1012451573 /nfs/dbraw/zinc/45/15/73/1012451573.db2.gz XMWKRTUPVYNWDH-ZDUSSCGKSA-N 1 0 314.363 0.542 20 5 DCBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H](O)C3(O)CCC3)C2)nc1 ZINC001459701290 1012819260 /nfs/dbraw/zinc/81/92/60/1012819260.db2.gz SRMTZGMPASOMDQ-YPMHNXCESA-N 1 0 322.365 0.752 20 5 DCBDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC001460830469 1012972926 /nfs/dbraw/zinc/97/29/26/1012972926.db2.gz ZBKWAYRVQWTJFO-CYBMUJFWSA-N 1 0 322.365 0.651 20 5 DCBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@H]1C ZINC001519565658 1017216877 /nfs/dbraw/zinc/21/68/77/1017216877.db2.gz CPBZKIRPKWLXES-NEPJUHHUSA-N 1 0 310.402 0.943 20 5 DCBDRO CCC[N@H+](C)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001478262170 1017334284 /nfs/dbraw/zinc/33/42/84/1017334284.db2.gz MDYQCGCPOJYIIU-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnoc1C ZINC001479844112 1017870951 /nfs/dbraw/zinc/87/09/51/1017870951.db2.gz YUDBCXITSBSUKA-CHWSQXEVSA-N 1 0 310.354 0.976 20 5 DCBDRO C[NH+](C)C[C@@H]1CN(c2cccc(C(N)=O)c2[N+](=O)[O-])CCO1 ZINC000342246627 282128379 /nfs/dbraw/zinc/12/83/79/282128379.db2.gz SOJMSSGYQTUKGG-SNVBAGLBSA-N 1 0 308.338 0.461 20 5 DCBDRO Cc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000566121614 291272162 /nfs/dbraw/zinc/27/21/62/291272162.db2.gz LBTAZEOWVAINMG-AWEZNQCLSA-N 1 0 305.338 0.688 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000566250846 291288560 /nfs/dbraw/zinc/28/85/60/291288560.db2.gz NHLPWYAFUGDINI-YPMHNXCESA-N 1 0 308.338 0.891 20 5 DCBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC[NH2+]C1 ZINC000566244598 291287834 /nfs/dbraw/zinc/28/78/34/291287834.db2.gz BWCJMKQEJVHBTE-LBPRGKRZSA-N 1 0 313.379 0.662 20 5 DCBDRO Cc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000566491792 291307866 /nfs/dbraw/zinc/30/78/66/291307866.db2.gz ZCCCEACUDUYBIT-STQMWFEESA-N 1 0 304.350 0.647 20 5 DCBDRO O=C(C[C@H]1C[NH2+]CCO1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423731146 240244867 /nfs/dbraw/zinc/24/48/67/240244867.db2.gz XLAACEMGLKGHNU-VIFPVBQESA-N 1 0 305.294 0.788 20 5 DCBDRO COC(=O)c1cc(C(=O)N(C)C2CC([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000423709078 240241939 /nfs/dbraw/zinc/24/19/39/240241939.db2.gz QIMVTSMLXCZORN-UHFFFAOYSA-N 1 0 307.306 0.943 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000490793839 241104466 /nfs/dbraw/zinc/10/44/66/241104466.db2.gz ZYQUCNWLACZENI-WAYWQWQTSA-N 1 0 318.377 0.972 20 5 DCBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCO1 ZINC000493813485 241162612 /nfs/dbraw/zinc/16/26/12/241162612.db2.gz CSVOELRGGKNHQB-FXMSTWTQSA-N 1 0 309.297 0.852 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H](CC[NH3+])C(F)(F)F)c1[N+](=O)[O-] ZINC000567845128 291384212 /nfs/dbraw/zinc/38/42/12/291384212.db2.gz LDVDMUDKUZUEMC-ZCFIWIBFSA-N 1 0 309.248 0.646 20 5 DCBDRO C[NH2+]CCN(C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000567838830 291383591 /nfs/dbraw/zinc/38/35/91/291383591.db2.gz OUVLAWXTWQPHBU-UHFFFAOYSA-N 1 0 322.365 0.723 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c3cccnc23)CCO1 ZINC000567839351 291383593 /nfs/dbraw/zinc/38/35/93/291383593.db2.gz OINALQAPJKTRKK-JTQLQIEISA-N 1 0 316.317 0.943 20 5 DCBDRO CNC(=O)c1ccc(NC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])c1 ZINC000264790736 204158636 /nfs/dbraw/zinc/15/86/36/204158636.db2.gz SIXHHJVAWMFXJM-LBPRGKRZSA-N 1 0 321.381 0.612 20 5 DCBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C)CC1 ZINC000265082198 204384614 /nfs/dbraw/zinc/38/46/14/204384614.db2.gz XPQFXFDNRIWUHB-CYBMUJFWSA-N 1 0 320.393 0.889 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000571940087 291540590 /nfs/dbraw/zinc/54/05/90/291540590.db2.gz RLDMUEFEXFICDS-YPMHNXCESA-N 1 0 318.333 0.287 20 5 DCBDRO C[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000036298009 182814036 /nfs/dbraw/zinc/81/40/36/182814036.db2.gz PAMIZCCMGKIDIH-UHFFFAOYSA-N 1 0 303.340 0.491 20 5 DCBDRO O=C(NC1CC1)N[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000274055687 211313900 /nfs/dbraw/zinc/31/39/00/211313900.db2.gz SVJCAUBOQLSQKF-LLVKDONJSA-N 1 0 308.342 0.327 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC1CC[NH2+]CC1 ZINC000347492772 254161996 /nfs/dbraw/zinc/16/19/96/254161996.db2.gz AMBKBTPURSIKCM-UHFFFAOYSA-N 1 0 320.349 0.583 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000349989885 254307753 /nfs/dbraw/zinc/30/77/53/254307753.db2.gz NYOOJWAOAIPXTM-SECBINFHSA-N 1 0 304.310 0.643 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000350099335 254310642 /nfs/dbraw/zinc/31/06/42/254310642.db2.gz NEEFCHNYKGEBQM-CYBMUJFWSA-N 1 0 314.363 0.806 20 5 DCBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000351556002 254346832 /nfs/dbraw/zinc/34/68/32/254346832.db2.gz GGXXWGNNIBGDHY-LLVKDONJSA-N 1 0 318.333 0.352 20 5 DCBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])n[nH]1 ZINC000285698128 131194146 /nfs/dbraw/zinc/19/41/46/131194146.db2.gz HLPCCDPRQDXMFL-JTQLQIEISA-N 1 0 311.342 0.285 20 5 DCBDRO C[C@H](O)C[N@H+](CCO)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000289361021 131377692 /nfs/dbraw/zinc/37/76/92/131377692.db2.gz AHCWOJIOIVIEDD-NWDGAFQWSA-N 1 0 314.338 0.010 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC000036285947 395722949 /nfs/dbraw/zinc/72/29/49/395722949.db2.gz QBRKCSBFLWSTPD-UHFFFAOYSA-N 1 0 315.351 0.634 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000108299994 395787783 /nfs/dbraw/zinc/78/77/83/395787783.db2.gz GSGAIKWVMVVCTL-LLVKDONJSA-N 1 0 307.354 0.851 20 5 DCBDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193641359 395776106 /nfs/dbraw/zinc/77/61/06/395776106.db2.gz JZNSLEVIHQEJAG-VHRBIJSZSA-N 1 0 323.349 0.449 20 5 DCBDRO COc1ccc(S(=O)(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000234963666 395892001 /nfs/dbraw/zinc/89/20/01/395892001.db2.gz CJNGBWOLBGWGTN-WPRPVWTQSA-N 1 0 315.351 0.571 20 5 DCBDRO C[C@H](CNC(=O)c1c(N)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000272478765 395894341 /nfs/dbraw/zinc/89/43/41/395894341.db2.gz QKKBGTNCHFSGDS-LLVKDONJSA-N 1 0 321.381 0.543 20 5 DCBDRO NC(=O)N[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000273169625 395904653 /nfs/dbraw/zinc/90/46/53/395904653.db2.gz OQWMEJNEAORDID-QWRGUYRKSA-N 1 0 324.337 0.077 20 5 DCBDRO Cc1cc(C(=O)NCCN2CC[NH2+]CC2)c(N)c([N+](=O)[O-])c1 ZINC000125782170 395905468 /nfs/dbraw/zinc/90/54/68/395905468.db2.gz PHWZXKWVHMRBSH-UHFFFAOYSA-N 1 0 307.354 0.120 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000230053743 395877186 /nfs/dbraw/zinc/87/71/86/395877186.db2.gz SXXUTFRJEBKICW-UHFFFAOYSA-N 1 0 315.351 0.763 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000230736202 395881476 /nfs/dbraw/zinc/88/14/76/395881476.db2.gz OWQQUYISRKOTKS-GFCCVEGCSA-N 1 0 315.351 0.634 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000057151598 395939875 /nfs/dbraw/zinc/93/98/75/395939875.db2.gz MPEXEMCHLLNPIT-UHFFFAOYSA-N 1 0 322.413 0.792 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(C[NH+]2CCOCC2)CC1 ZINC000136282736 395945957 /nfs/dbraw/zinc/94/59/57/395945957.db2.gz CZADMDWAJXXGPF-UHFFFAOYSA-N 1 0 323.353 0.502 20 5 DCBDRO C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000058851279 395955698 /nfs/dbraw/zinc/95/56/98/395955698.db2.gz HGBNUFIOPVXIKI-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000063810156 395982944 /nfs/dbraw/zinc/98/29/44/395982944.db2.gz RPTZRABQFMJWRA-GHMZBOCLSA-N 1 0 310.358 0.423 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261597830 396047826 /nfs/dbraw/zinc/04/78/26/396047826.db2.gz PEDLKWSYYQBZQN-PSASIEDQSA-N 1 0 315.351 0.571 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000068336827 396052823 /nfs/dbraw/zinc/05/28/23/396052823.db2.gz RJGSFFDKFSZTGZ-UHFFFAOYSA-N 1 0 324.381 0.969 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1c([N+](=O)[O-])c(C)nn1C ZINC000152387328 396008289 /nfs/dbraw/zinc/00/82/89/396008289.db2.gz LTGDBISFTRTCBM-UHFFFAOYSA-N 1 0 313.358 0.335 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000262124366 396101228 /nfs/dbraw/zinc/10/12/28/396101228.db2.gz NMXWENJFYJAJJT-AWEZNQCLSA-N 1 0 320.349 0.583 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000071310222 396112444 /nfs/dbraw/zinc/11/24/44/396112444.db2.gz POYWRSBZTGDHKB-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO NC(=O)c1ccc(SCC(=O)N2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000262468472 396143336 /nfs/dbraw/zinc/14/33/36/396143336.db2.gz GVGOPCHKBGGSER-UHFFFAOYSA-N 1 0 324.362 0.218 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000176893502 396163009 /nfs/dbraw/zinc/16/30/09/396163009.db2.gz GSXIUBOAPPIXQR-UHFFFAOYSA-N 1 0 310.354 0.875 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177046396 396165629 /nfs/dbraw/zinc/16/56/29/396165629.db2.gz BWKQGEHPHRUHEB-MWLCHTKSSA-N 1 0 307.354 0.841 20 5 DCBDRO COc1cc(C[NH2+]CC2(O)CCOCC2)c([N+](=O)[O-])cc1O ZINC000264057497 396252409 /nfs/dbraw/zinc/25/24/09/396252409.db2.gz OPHKKZYARCFKAQ-UHFFFAOYSA-N 1 0 312.322 0.940 20 5 DCBDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000184337462 396291584 /nfs/dbraw/zinc/29/15/84/396291584.db2.gz ZQKMNFCCGCYESN-UHFFFAOYSA-N 1 0 317.367 0.187 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C[N@@H+]1C1CC1 ZINC000185281889 396324055 /nfs/dbraw/zinc/32/40/55/396324055.db2.gz STOFKFBYRYBCGK-DTWKUNHWSA-N 1 0 305.338 0.927 20 5 DCBDRO CN1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000265667660 396335634 /nfs/dbraw/zinc/33/56/34/396335634.db2.gz WESGASPFBIJTDK-OCCSQVGLSA-N 1 0 323.349 0.497 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000266695931 396352376 /nfs/dbraw/zinc/35/23/76/396352376.db2.gz DWODVOPWYDHWNW-UHFFFAOYSA-N 1 0 311.313 0.920 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C1 ZINC000191233025 396417668 /nfs/dbraw/zinc/41/76/68/396417668.db2.gz ZPHNVGWSRXTIKF-QWHCGFSZSA-N 1 0 324.381 0.143 20 5 DCBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269583337 396426543 /nfs/dbraw/zinc/42/65/43/396426543.db2.gz ABXHWZIVKJHQRD-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371452098 396467076 /nfs/dbraw/zinc/46/70/76/396467076.db2.gz QAVUVQDEEOZPRZ-RYUDHWBXSA-N 1 0 307.354 0.924 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cc(Cl)c1=O)C1CC1 ZINC000290818617 396473331 /nfs/dbraw/zinc/47/33/31/396473331.db2.gz SFAWUHGIJINRNV-JTQLQIEISA-N 1 0 301.730 0.865 20 5 DCBDRO CN(CC[NH3+])C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000581072322 396523581 /nfs/dbraw/zinc/52/35/81/396523581.db2.gz ZNCAUYDTGBAFSZ-UHFFFAOYSA-N 1 0 308.338 0.462 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000581478998 396557529 /nfs/dbraw/zinc/55/75/29/396557529.db2.gz KVPIGDNGEXZZEF-SNVBAGLBSA-N 1 0 320.349 0.333 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000581549697 396564440 /nfs/dbraw/zinc/56/44/40/396564440.db2.gz DJWWIXFFWGSYQN-QWRGUYRKSA-N 1 0 322.365 0.875 20 5 DCBDRO O=C(N[C@H](CO)C[NH+]1CCCCC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000293628762 396621621 /nfs/dbraw/zinc/62/16/21/396621621.db2.gz NCKMGZOMCUAFLL-NSHDSACASA-N 1 0 324.337 0.272 20 5 DCBDRO COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000584836804 396628394 /nfs/dbraw/zinc/62/83/94/396628394.db2.gz RRJCUIDGALXFIL-VIFPVBQESA-N 1 0 311.294 0.110 20 5 DCBDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000561239348 396636052 /nfs/dbraw/zinc/63/60/52/396636052.db2.gz DFHCADGODFEDQJ-JTQLQIEISA-N 1 0 306.322 0.031 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCn1ccc([N+](=O)[O-])n1 ZINC000374422341 396663526 /nfs/dbraw/zinc/66/35/26/396663526.db2.gz RIVLXNHMWFWYAS-HZSPNIEDSA-N 1 0 323.397 0.975 20 5 DCBDRO CC[C@H]([NH2+]C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595914458 396681733 /nfs/dbraw/zinc/68/17/33/396681733.db2.gz AJSXOBZHJXCJFJ-LBPRGKRZSA-N 1 0 307.354 0.636 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295284778 396689837 /nfs/dbraw/zinc/68/98/37/396689837.db2.gz TZCIXTWZTOMDAD-MWLCHTKSSA-N 1 0 308.338 0.567 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCCN2C2CC2)c1 ZINC000563003879 396692531 /nfs/dbraw/zinc/69/25/31/396692531.db2.gz XYULCVGTCAJOPO-DZGCQCFKSA-N 1 0 323.397 0.759 20 5 DCBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588861854 396696214 /nfs/dbraw/zinc/69/62/14/396696214.db2.gz VSDNUKXGBFMSFU-ZIAGYGMSSA-N 1 0 305.334 0.876 20 5 DCBDRO CN(CCC[NH+]1CCN(C)CC1)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596120066 396719780 /nfs/dbraw/zinc/71/97/80/396719780.db2.gz FIBJXMPWAJSASI-UHFFFAOYSA-N 1 0 309.370 0.769 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326742 396729823 /nfs/dbraw/zinc/72/98/23/396729823.db2.gz SVRHNZZURZSZDB-TZMCWYRMSA-N 1 0 311.386 0.426 20 5 DCBDRO CCC1(CO)CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000305684302 396747007 /nfs/dbraw/zinc/74/70/07/396747007.db2.gz ACPKKNXPERISPK-ZDUSSCGKSA-N 1 0 312.370 0.637 20 5 DCBDRO CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564444361 396835370 /nfs/dbraw/zinc/83/53/70/396835370.db2.gz RNDBLMROEFRUCH-WDEREUQCSA-N 1 0 311.338 0.449 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCO1 ZINC000317203898 396801668 /nfs/dbraw/zinc/80/16/68/396801668.db2.gz VFAWBHZNLCITKA-NOZJJQNGSA-N 1 0 308.338 0.242 20 5 DCBDRO COc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)ccc1[N+](=O)[O-] ZINC000317566185 396803476 /nfs/dbraw/zinc/80/34/76/396803476.db2.gz FUXIUKDHMPJDQJ-RNCFNFMXSA-N 1 0 309.322 0.792 20 5 DCBDRO CC[N@H+](C)C[C@@H](O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O ZINC000319555141 396810804 /nfs/dbraw/zinc/81/08/04/396810804.db2.gz OIHNFLXYZGWDSY-LLVKDONJSA-N 1 0 306.322 0.617 20 5 DCBDRO Cc1nn(C)c(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000564129916 396810871 /nfs/dbraw/zinc/81/08/71/396810871.db2.gz RJZLKGBSKCOHKI-WDEREUQCSA-N 1 0 307.354 0.945 20 5 DCBDRO [NH3+]CC[C@@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000564841110 396880566 /nfs/dbraw/zinc/88/05/66/396880566.db2.gz NRRVHEDWFUAMDM-MRVPVSSYSA-N 1 0 309.248 0.577 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600529099 396883840 /nfs/dbraw/zinc/88/38/40/396883840.db2.gz BSCGIJYEJKAFMW-LLVKDONJSA-N 1 0 318.333 0.873 20 5 DCBDRO CC(C)c1n[nH]c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000600537079 396887475 /nfs/dbraw/zinc/88/74/75/396887475.db2.gz WSNVMSWQAQZVEU-SECBINFHSA-N 1 0 311.342 0.238 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCCO1 ZINC000591348258 396904049 /nfs/dbraw/zinc/90/40/49/396904049.db2.gz HRKQFXFMRXNOFA-CYBMUJFWSA-N 1 0 308.338 0.773 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000591348319 396904235 /nfs/dbraw/zinc/90/42/35/396904235.db2.gz QKSDMFALDIFKSH-ZWNOBZJWSA-N 1 0 308.338 0.852 20 5 DCBDRO CC(C)CC[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000600759099 396940004 /nfs/dbraw/zinc/94/00/04/396940004.db2.gz ZEJAYTJTSDZRCR-AAEUAGOBSA-N 1 0 300.359 0.539 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000600805904 396945913 /nfs/dbraw/zinc/94/59/13/396945913.db2.gz BSCGIJYEJKAFMW-NSHDSACASA-N 1 0 318.333 0.873 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000572036699 397015637 /nfs/dbraw/zinc/01/56/37/397015637.db2.gz ZVEFJBYRCIEZDO-ZJUUUORDSA-N 1 0 312.351 0.505 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000601176123 397016675 /nfs/dbraw/zinc/01/66/75/397016675.db2.gz GHNNNMDTZVKUAF-LLVKDONJSA-N 1 0 322.369 0.435 20 5 DCBDRO CC1(C)C[NH2+][C@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591675481 396973960 /nfs/dbraw/zinc/97/39/60/396973960.db2.gz NIUCLNDGEKCVBZ-ZDUSSCGKSA-N 1 0 319.365 0.636 20 5 DCBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000572871136 397106098 /nfs/dbraw/zinc/10/60/98/397106098.db2.gz ZQNZEPRQVVHZIM-CHWSQXEVSA-N 1 0 320.353 0.627 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCC12CCC[NH+]1CCC2 ZINC000619574009 397150516 /nfs/dbraw/zinc/15/05/16/397150516.db2.gz JBGCRRZDMBJSND-UHFFFAOYSA-N 1 0 307.354 0.844 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000592338215 397155592 /nfs/dbraw/zinc/15/55/92/397155592.db2.gz SMGCTJFEXUXYHD-GFCCVEGCSA-N 1 0 315.333 0.945 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000592475110 397185937 /nfs/dbraw/zinc/18/59/37/397185937.db2.gz ORWSBYXJINRCOQ-DGCLKSJQSA-N 1 0 322.365 0.890 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592475157 397187017 /nfs/dbraw/zinc/18/70/17/397187017.db2.gz WKIXYVJXWBASMV-SMDDNHRTSA-N 1 0 322.365 0.971 20 5 DCBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592475149 397187047 /nfs/dbraw/zinc/18/70/47/397187047.db2.gz VTQIHRKJAAGMOB-WDMOLILDSA-N 1 0 322.365 0.970 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000592490521 397191143 /nfs/dbraw/zinc/19/11/43/397191143.db2.gz YWHDMUAPNAKFBU-AWEZNQCLSA-N 1 0 323.349 0.811 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000573801384 397208403 /nfs/dbraw/zinc/20/84/03/397208403.db2.gz PVAASYSCSNVICV-SECBINFHSA-N 1 0 300.340 0.268 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)nc1 ZINC000364721568 397238687 /nfs/dbraw/zinc/23/86/87/397238687.db2.gz KUUJORWGOKYCQV-UHFFFAOYSA-N 1 0 322.365 0.653 20 5 DCBDRO C[C@H](CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])[NH+](C)C ZINC000598632963 397266439 /nfs/dbraw/zinc/26/64/39/397266439.db2.gz GTNYFDVSKKCYFH-LLVKDONJSA-N 1 0 324.385 0.974 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[NH2+]C1 ZINC000598661229 397270445 /nfs/dbraw/zinc/27/04/45/397270445.db2.gz DVZYQJVPALLIGK-LLVKDONJSA-N 1 0 321.337 0.585 20 5 DCBDRO CC(C)(C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000598669352 397272011 /nfs/dbraw/zinc/27/20/11/397272011.db2.gz IBIMFGHSYPGBGT-QMTHXVAHSA-N 1 0 307.354 0.866 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)C2CC([NH3+])C2)cc1[N+](=O)[O-] ZINC000385077042 397283883 /nfs/dbraw/zinc/28/38/83/397283883.db2.gz WGGAUVYCFVALQF-UHFFFAOYSA-N 1 0 315.351 0.714 20 5 DCBDRO CNC(=O)NC(=O)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365504145 397288251 /nfs/dbraw/zinc/28/82/51/397288251.db2.gz BILSCFZPDKEBKH-UHFFFAOYSA-N 1 0 324.341 0.274 20 5 DCBDRO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365517629 397289992 /nfs/dbraw/zinc/28/99/92/397289992.db2.gz UFCVONGKHCOOCY-MRVPVSSYSA-N 1 0 310.314 0.012 20 5 DCBDRO C[C@H](CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000598893706 397303297 /nfs/dbraw/zinc/30/32/97/397303297.db2.gz BSMTWYSRYZALMO-SNVBAGLBSA-N 1 0 323.353 0.783 20 5 DCBDRO CN1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574392794 397261608 /nfs/dbraw/zinc/26/16/08/397261608.db2.gz HCWGBNGVQRSQFZ-QWRGUYRKSA-N 1 0 309.322 0.155 20 5 DCBDRO CCN(CC[NH3+])S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000599098139 397335925 /nfs/dbraw/zinc/33/59/25/397335925.db2.gz DUYUQBKZMPHDSP-UHFFFAOYSA-N 1 0 321.330 0.712 20 5 DCBDRO CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000599100039 397336043 /nfs/dbraw/zinc/33/60/43/397336043.db2.gz DGTDAXCEUURRAR-SNVBAGLBSA-N 1 0 314.367 0.608 20 5 DCBDRO O=C1CCc2cc([N+](=O)[O-])c(NCC[N@H+]3CC[C@H](O)C3)cc2N1 ZINC000599200177 397360845 /nfs/dbraw/zinc/36/08/45/397360845.db2.gz ZNGHGPSPVIODDH-NSHDSACASA-N 1 0 320.349 0.958 20 5 DCBDRO C[C@H]1C[C@@H]([NH3+])CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577289607 397320622 /nfs/dbraw/zinc/32/06/22/397320622.db2.gz APSBHNRQMVSCRN-IUCAKERBSA-N 1 0 300.340 0.490 20 5 DCBDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000599007584 397322602 /nfs/dbraw/zinc/32/26/02/397322602.db2.gz QRELEMFTLDFKPI-GFCCVEGCSA-N 1 0 324.385 0.822 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCN1CC[C@H](O)C1)OCCO2 ZINC000599019048 397324997 /nfs/dbraw/zinc/32/49/97/397324997.db2.gz PIVZUUQAKXSUEC-LBPRGKRZSA-N 1 0 323.349 0.522 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602500998 397421183 /nfs/dbraw/zinc/42/11/83/397421183.db2.gz SEDKULNYHUOMOS-UHFFFAOYSA-N 1 0 318.377 0.991 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602589282 397444457 /nfs/dbraw/zinc/44/44/57/397444457.db2.gz SNHLVXXTJFHDES-WPRPVWTQSA-N 1 0 305.290 0.552 20 5 DCBDRO COc1ccc(CNC(=O)CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000602445693 397403944 /nfs/dbraw/zinc/40/39/44/397403944.db2.gz SWAHVWAXYXXHFX-UHFFFAOYSA-N 1 0 308.338 0.125 20 5 DCBDRO COCCC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000599507272 397461750 /nfs/dbraw/zinc/46/17/50/397461750.db2.gz VCGRKPSOKNVDCC-AWEZNQCLSA-N 1 0 312.370 0.901 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000602810619 397492184 /nfs/dbraw/zinc/49/21/84/397492184.db2.gz HFUREBDPJGOBEY-RYUDHWBXSA-N 1 0 311.386 0.487 20 5 DCBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000599940439 397547497 /nfs/dbraw/zinc/54/74/97/397547497.db2.gz QEGNBAPMCPTZGK-ZDUSSCGKSA-N 1 0 322.365 0.767 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000579375658 397562655 /nfs/dbraw/zinc/56/26/55/397562655.db2.gz QBTYSLDFNYYNQY-PWSUYJOCSA-N 1 0 318.333 0.287 20 5 DCBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579746019 397592060 /nfs/dbraw/zinc/59/20/60/397592060.db2.gz JGSLWZLOTLOHIK-BXKDBHETSA-N 1 0 308.342 0.545 20 5 DCBDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579746024 397592106 /nfs/dbraw/zinc/59/21/06/397592106.db2.gz JGSLWZLOTLOHIK-SKDRFNHKSA-N 1 0 308.342 0.545 20 5 DCBDRO Cn1c(C(=O)Nc2cnn(CC[NH+](C)C)c2)ccc1[N+](=O)[O-] ZINC000604511301 397641706 /nfs/dbraw/zinc/64/17/06/397641706.db2.gz QYFVHLBZWWSWDG-UHFFFAOYSA-N 1 0 306.326 0.944 20 5 DCBDRO CC(C)(C(=O)N[C@H]1CC[N@@H+](C2CC2)C1)n1cc([N+](=O)[O-])cn1 ZINC000608839563 397757468 /nfs/dbraw/zinc/75/74/68/397757468.db2.gz JFVCVGMHQFAPOF-JTQLQIEISA-N 1 0 307.354 0.879 20 5 DCBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000127198357 158271421 /nfs/dbraw/zinc/27/14/21/158271421.db2.gz WPKCTYSVXSEZTA-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000131907383 158307095 /nfs/dbraw/zinc/30/70/95/158307095.db2.gz NGHDMDYSHHJKPX-VIFPVBQESA-N 1 0 315.351 0.491 20 5 DCBDRO C[NH2+]C[C@H](C)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000133240769 158317204 /nfs/dbraw/zinc/31/72/04/158317204.db2.gz BIJRYBVMNAKXFV-QMMMGPOBSA-N 1 0 302.356 0.510 20 5 DCBDRO COCC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000152459919 158348844 /nfs/dbraw/zinc/34/88/44/158348844.db2.gz QKBVMQQKCUGAFG-UHFFFAOYSA-N 1 0 310.354 0.627 20 5 DCBDRO C[NH2+]CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000193255316 158581247 /nfs/dbraw/zinc/58/12/47/158581247.db2.gz OMUUDSLABZVDPR-UHFFFAOYSA-N 1 0 307.303 0.240 20 5 DCBDRO O=C(CC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1)N1CCOCC1 ZINC000332515715 159210105 /nfs/dbraw/zinc/21/01/05/159210105.db2.gz WUNYLSJFXDOKLC-UHFFFAOYSA-N 1 0 320.349 0.597 20 5 DCBDRO O=C(CN1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000359281759 159261503 /nfs/dbraw/zinc/26/15/03/159261503.db2.gz IMUIFYLIGITLIE-CHWSQXEVSA-N 1 0 316.361 0.635 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC2=CC[NH2+]CC2)s1 ZINC000193384519 287060455 /nfs/dbraw/zinc/06/04/55/287060455.db2.gz LSUHGMPSTXGEMO-UHFFFAOYSA-N 1 0 303.365 0.854 20 5 DCBDRO C[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)C(C)(C)C ZINC000246462576 287084085 /nfs/dbraw/zinc/08/40/85/287084085.db2.gz FOCMEZMVVJGRMO-NEPJUHHUSA-N 1 0 300.359 0.491 20 5 DCBDRO C[C@@H](C[NH3+])N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420291880 287286396 /nfs/dbraw/zinc/28/63/96/287286396.db2.gz OGSCGMOLZZYUIQ-JTQLQIEISA-N 1 0 301.368 0.648 20 5 DCBDRO C[N@H+](C[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC000352365882 415149642 /nfs/dbraw/zinc/14/96/42/415149642.db2.gz YFEKVWWBJDGCOK-CQSZACIVSA-N 1 0 323.397 0.883 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000420414447 287296573 /nfs/dbraw/zinc/29/65/73/287296573.db2.gz GZIVPULDFZPTCO-LBPRGKRZSA-N 1 0 313.379 0.809 20 5 DCBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000332164724 415274505 /nfs/dbraw/zinc/27/45/05/415274505.db2.gz WPCJYGVEHOGCHY-VNHYZAJKSA-N 1 0 323.397 0.711 20 5 DCBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1COC[C@@H]1O ZINC000352808450 415332242 /nfs/dbraw/zinc/33/22/42/415332242.db2.gz YKADUNYRCRJETJ-YUTCNCBUSA-N 1 0 312.322 0.026 20 5 DCBDRO CC(=O)N1CC[C@H](C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090589668 415529989 /nfs/dbraw/zinc/52/99/89/415529989.db2.gz KXNCJSYCBPEXNV-CYBMUJFWSA-N 1 0 322.365 0.557 20 5 DCBDRO C[C@@H]1[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[N@@H+]1C ZINC000343433712 415598323 /nfs/dbraw/zinc/59/83/23/415598323.db2.gz GSXWOAWNPUGBIT-ZYHUDNBSSA-N 1 0 308.338 0.355 20 5 DCBDRO C[NH+](C)[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)C[C@@H]1O ZINC000292350143 415841582 /nfs/dbraw/zinc/84/15/82/415841582.db2.gz ODMQCEFSVVQDCJ-KBPBESRZSA-N 1 0 320.349 0.591 20 5 DCBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151729575 415965774 /nfs/dbraw/zinc/96/57/74/415965774.db2.gz JCOVGFUONUGTEK-NWDGAFQWSA-N 1 0 324.385 0.963 20 5 DCBDRO COc1c(C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000356786509 415987815 /nfs/dbraw/zinc/98/78/15/415987815.db2.gz XMLVPTSKMCSMQJ-AWEZNQCLSA-N 1 0 309.322 0.400 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000299190946 416057819 /nfs/dbraw/zinc/05/78/19/416057819.db2.gz OHFBSAAVTPNVCY-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000357577955 416098265 /nfs/dbraw/zinc/09/82/65/416098265.db2.gz BNVMGXMXCMUWOH-SNVBAGLBSA-N 1 0 308.338 0.908 20 5 DCBDRO CC(C)[C@H]1CN(c2nccc(C(N)=O)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000357704070 416118677 /nfs/dbraw/zinc/11/86/77/416118677.db2.gz LPVJGJDMXHPGKQ-LLVKDONJSA-N 1 0 307.354 0.865 20 5 DCBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000176177146 416120736 /nfs/dbraw/zinc/12/07/36/416120736.db2.gz QFRBZXJRXMDFOU-UHFFFAOYSA-N 1 0 321.337 0.975 20 5 DCBDRO Cc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000330666790 416226954 /nfs/dbraw/zinc/22/69/54/416226954.db2.gz AXYLBNYYLUJQMP-CYBMUJFWSA-N 1 0 306.366 0.879 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345859311 416159759 /nfs/dbraw/zinc/15/97/59/416159759.db2.gz SCURFTQCNSHRFO-LBPRGKRZSA-N 1 0 323.397 0.689 20 5 DCBDRO CCO[C@H]1C[C@@](CO)([NH2+]CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000190022982 416273731 /nfs/dbraw/zinc/27/37/31/416273731.db2.gz USIUVSLKUJZLAG-JSGCOSHPSA-N 1 0 312.370 0.947 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)NC[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000193318956 416315547 /nfs/dbraw/zinc/31/55/47/416315547.db2.gz ZNFRGEZHZADFPI-ZCFIWIBFSA-N 1 0 307.303 0.368 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415551513 416347389 /nfs/dbraw/zinc/34/73/89/416347389.db2.gz DQWKUSVLCBHWTI-IUCAKERBSA-N 1 0 324.312 0.881 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415754869 416353368 /nfs/dbraw/zinc/35/33/68/416353368.db2.gz ZZAJOTVTNGYOOZ-MNOVXSKESA-N 1 0 318.333 0.601 20 5 DCBDRO COc1cc(C(=O)NC[C@]2(O)CC[N@H+](C)C2)cc([N+](=O)[O-])c1C ZINC000359759925 416357490 /nfs/dbraw/zinc/35/74/90/416357490.db2.gz SWQWWQAXVHIUSF-OAHLLOKOSA-N 1 0 323.349 0.708 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2C)C1 ZINC000419761648 416409836 /nfs/dbraw/zinc/40/98/36/416409836.db2.gz QKOJWBQMDHMSAK-LBPRGKRZSA-N 1 0 320.349 0.340 20 5 DCBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583435431 416463209 /nfs/dbraw/zinc/46/32/09/416463209.db2.gz CFSHCKPZZYVHGG-YPMHNXCESA-N 1 0 320.353 0.553 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000535005520 416511065 /nfs/dbraw/zinc/51/10/65/416511065.db2.gz YPIJICWJGVHZBD-CQSZACIVSA-N 1 0 304.350 0.601 20 5 DCBDRO CNc1nccc(C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000584359495 416513994 /nfs/dbraw/zinc/51/39/94/416513994.db2.gz DTIHNWZZNWMTFZ-ZJUUUORDSA-N 1 0 319.365 1.387 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000423943780 416597373 /nfs/dbraw/zinc/59/73/73/416597373.db2.gz GRKHDUBIVCLNGS-OUJBWJOFSA-N 1 0 320.349 0.519 20 5 DCBDRO CC(C)(C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc([N+](=O)[O-])cc1 ZINC000423992595 416601969 /nfs/dbraw/zinc/60/19/69/416601969.db2.gz OWZZBEGPKNPPJS-ZDUSSCGKSA-N 1 0 307.350 0.977 20 5 DCBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000439076366 416607083 /nfs/dbraw/zinc/60/70/83/416607083.db2.gz IXCWTRGEFPWFLP-NSHDSACASA-N 1 0 310.354 0.603 20 5 DCBDRO CNc1ccc(C(=O)Nc2nn(C)c(C)c2C[NH3+])cc1[N+](=O)[O-] ZINC000595962413 416574646 /nfs/dbraw/zinc/57/46/46/416574646.db2.gz QZFZHWSEKFENFA-UHFFFAOYSA-N 1 0 318.337 1.389 20 5 DCBDRO CC[NH+](CC)CCOCCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-] ZINC000542676857 416627525 /nfs/dbraw/zinc/62/75/25/416627525.db2.gz YIZVCADLLIWTAY-UHFFFAOYSA-N 1 0 313.358 0.715 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[NH2+][C@H](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000440806544 416649617 /nfs/dbraw/zinc/64/96/17/416649617.db2.gz HXYZNSFWVOBFKP-RKDXNWHRSA-N 1 0 317.371 0.182 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000440846109 416650640 /nfs/dbraw/zinc/65/06/40/416650640.db2.gz KSFSFAVAGSOZRG-VIFPVBQESA-N 1 0 315.351 0.491 20 5 DCBDRO COC(=O)CC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000441387143 416670676 /nfs/dbraw/zinc/67/06/76/416670676.db2.gz POCRZVJPISNLMK-LBPRGKRZSA-N 1 0 314.342 0.426 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000553558855 416704364 /nfs/dbraw/zinc/70/43/64/416704364.db2.gz UMFZOYPWLKWEPE-JTQLQIEISA-N 1 0 307.354 1.055 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000516937926 416760513 /nfs/dbraw/zinc/76/05/13/416760513.db2.gz GTDGZHKZRCKHCW-KGLIPLIRSA-N 1 0 304.350 0.647 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000517042254 416775494 /nfs/dbraw/zinc/77/54/94/416775494.db2.gz OTPLKRNUPBRESF-NSHDSACASA-N 1 0 306.322 0.031 20 5 DCBDRO C[NH2+]C[C@@](C)(O)CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381892 416801377 /nfs/dbraw/zinc/80/13/77/416801377.db2.gz PBPVYCYBCDCLDA-SMDDNHRTSA-N 1 0 309.370 0.446 20 5 DCBDRO CC[NH2+]CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429101523 287334749 /nfs/dbraw/zinc/33/47/49/287334749.db2.gz WZAPUPJHMRDNLW-UHFFFAOYSA-N 1 0 309.322 0.634 20 5 DCBDRO C[NH+]1CCC(n2ccc(NC(=O)c3n[nH]cc3[N+](=O)[O-])n2)CC1 ZINC000428328760 416886075 /nfs/dbraw/zinc/88/60/75/416886075.db2.gz ZLONAIFWMWYNOT-UHFFFAOYSA-N 1 0 319.325 1.033 20 5 DCBDRO COc1cccc(C(=O)NCC2(O)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000444297207 416830824 /nfs/dbraw/zinc/83/08/24/416830824.db2.gz INIJLRZULOSGJE-UHFFFAOYSA-N 1 0 323.349 0.790 20 5 DCBDRO CN(CC1CC[NH+](C)CC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000565311777 416966435 /nfs/dbraw/zinc/96/64/35/416966435.db2.gz GIQNBHUDGAGRMZ-UHFFFAOYSA-N 1 0 307.354 0.986 20 5 DCBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000429789337 416994575 /nfs/dbraw/zinc/99/45/75/416994575.db2.gz RTZLECUVCTTZMV-NWDGAFQWSA-N 1 0 320.349 0.698 20 5 DCBDRO CN(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447526697 417006358 /nfs/dbraw/zinc/00/63/58/417006358.db2.gz DUYCFPIPOMWGMH-JHJVBQTASA-N 1 0 311.386 0.787 20 5 DCBDRO COc1ccc(NC(=O)CCN2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430637747 287349642 /nfs/dbraw/zinc/34/96/42/287349642.db2.gz LZCBDTQEEUUWGJ-SNVBAGLBSA-N 1 0 308.338 0.965 20 5 DCBDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000434706351 287355823 /nfs/dbraw/zinc/35/58/23/287355823.db2.gz JNMLSAUCLJJLPQ-SNVBAGLBSA-N 1 0 323.353 0.383 20 5 DCBDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525601226 417140635 /nfs/dbraw/zinc/14/06/35/417140635.db2.gz VVGUCVSBAJNUOG-SNVBAGLBSA-N 1 0 316.383 0.998 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000449603905 417156252 /nfs/dbraw/zinc/15/62/52/417156252.db2.gz IOROLFGBYWBYGR-LLVKDONJSA-N 1 0 323.353 0.248 20 5 DCBDRO CO[C@]1(C)C[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451493604 417355596 /nfs/dbraw/zinc/35/55/96/417355596.db2.gz RNJIDDPZKQGVNL-OUCADQQQSA-N 1 0 312.370 0.945 20 5 DCBDRO C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000570836556 417399448 /nfs/dbraw/zinc/39/94/48/417399448.db2.gz GMPKARJSTAEFEC-BZPMIXESSA-N 1 0 312.370 0.947 20 5 DCBDRO O=C(Nc1ccncc1[N+](=O)[O-])N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415377751 417375412 /nfs/dbraw/zinc/37/54/12/417375412.db2.gz BLMWPDWCRXJWCA-OUAUKWLOSA-N 1 0 305.338 0.921 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[S@@](=O)C2)c1 ZINC000570675361 417381605 /nfs/dbraw/zinc/38/16/05/417381605.db2.gz IEJWNVKQXJDUNX-NNJUXLKUSA-N 1 0 314.363 0.445 20 5 DCBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000571226316 417438052 /nfs/dbraw/zinc/43/80/52/417438052.db2.gz NDTLAYQXOHRQDG-AAEUAGOBSA-N 1 0 318.333 0.546 20 5 DCBDRO O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000452376225 417478604 /nfs/dbraw/zinc/47/86/04/417478604.db2.gz YVVQJSZYALGQAR-NSHDSACASA-N 1 0 324.337 0.272 20 5 DCBDRO Cc1noc(C)c1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000576220480 417590011 /nfs/dbraw/zinc/59/00/11/417590011.db2.gz RYPAKGNUCWDPCG-GFCCVEGCSA-N 1 0 309.326 0.589 20 5 DCBDRO CN1CCN(C(=O)COc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000576038061 417573900 /nfs/dbraw/zinc/57/39/00/417573900.db2.gz URLWRPIRXIMTPL-NSHDSACASA-N 1 0 308.338 0.075 20 5 DCBDRO CNc1nccc(C(=O)NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000579491001 417691750 /nfs/dbraw/zinc/69/17/50/417691750.db2.gz NYGOIKZHRXLCFI-UHFFFAOYSA-N 1 0 307.354 1.247 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299483318 229145004 /nfs/dbraw/zinc/14/50/04/229145004.db2.gz GFZDAPCBICUGMW-STQMWFEESA-N 1 0 320.349 0.500 20 5 DCBDRO C[C@H](O)C[NH+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 ZINC000302387214 230231531 /nfs/dbraw/zinc/23/15/31/230231531.db2.gz HRORRTWAEAKWBU-JTQLQIEISA-N 1 0 306.326 0.140 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000357714364 261576104 /nfs/dbraw/zinc/57/61/04/261576104.db2.gz GYVMQOUGMUEUHT-BDAKNGLRSA-N 1 0 317.392 0.886 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)c2c[nH]c3cccc([N+](=O)[O-])c23)C1 ZINC000358084471 261628437 /nfs/dbraw/zinc/62/84/37/261628437.db2.gz WNXPLXUGHXVXNI-HNNXBMFYSA-N 1 0 318.333 0.873 20 5 DCBDRO [NH3+][C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000417909053 262264963 /nfs/dbraw/zinc/26/49/63/262264963.db2.gz JKSATWMMWXAIBJ-CYBMUJFWSA-N 1 0 318.337 0.791 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000418609716 262284058 /nfs/dbraw/zinc/28/40/58/262284058.db2.gz DVWCNCGGBHBYSB-NSHDSACASA-N 1 0 307.354 0.774 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418768617 262288346 /nfs/dbraw/zinc/28/83/46/262288346.db2.gz PELZEYDSMMSFAX-GFCCVEGCSA-N 1 0 308.338 0.725 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000418774182 262288800 /nfs/dbraw/zinc/28/88/00/262288800.db2.gz CXPNUQTXAYGWTE-GHMZBOCLSA-N 1 0 320.349 0.592 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418919656 262298344 /nfs/dbraw/zinc/29/83/44/262298344.db2.gz GESLOTRDSBPWBJ-NSHDSACASA-N 1 0 322.365 0.225 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000418932953 262299721 /nfs/dbraw/zinc/29/97/21/262299721.db2.gz IEFQFUFGDCFOFL-SECBINFHSA-N 1 0 324.337 0.025 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419161823 262315300 /nfs/dbraw/zinc/31/53/00/262315300.db2.gz FHNHYLMTRJHLDG-SSDOTTSWSA-N 1 0 314.729 0.328 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000419988088 262355903 /nfs/dbraw/zinc/35/59/03/262355903.db2.gz XRQIEFYITGLOJS-LBPRGKRZSA-N 1 0 322.365 0.653 20 5 DCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420058267 262358463 /nfs/dbraw/zinc/35/84/63/262358463.db2.gz OANSUKXAAVSRQO-UHFFFAOYSA-N 1 0 322.365 0.449 20 5 DCBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCO[C@@H](C[NH3+])C1 ZINC000420393449 262373485 /nfs/dbraw/zinc/37/34/85/262373485.db2.gz QOIAZQGBDTYMTK-FZMZJTMJSA-N 1 0 322.365 0.971 20 5 DCBDRO CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000422941435 262423966 /nfs/dbraw/zinc/42/39/66/262423966.db2.gz IEZUMFHHMASSCH-RISCZKNCSA-N 1 0 323.349 0.987 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000419264680 271278973 /nfs/dbraw/zinc/27/89/73/271278973.db2.gz DUXWRPLCOPYHRT-SNVBAGLBSA-N 1 0 308.338 0.498 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419886103 271337086 /nfs/dbraw/zinc/33/70/86/271337086.db2.gz HWFIIDCFDRAMRR-GFCCVEGCSA-N 1 0 320.349 0.421 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N(C)[C@@H](C)C[NH3+])ccc1[N+](=O)[O-] ZINC000422836320 271388401 /nfs/dbraw/zinc/38/84/01/271388401.db2.gz RATFVKRSDGPYOK-JTQLQIEISA-N 1 0 308.338 0.439 20 5 DCBDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459836981 272014778 /nfs/dbraw/zinc/01/47/78/272014778.db2.gz ZTFXMVYIYXJUGV-KWCYVHTRSA-N 1 0 312.322 0.338 20 5 DCBDRO C[N@@H+]1CC[C@]2(CCN(c3nccc(C(N)=O)c3[N+](=O)[O-])C2)C1 ZINC000488718721 272049120 /nfs/dbraw/zinc/04/91/20/272049120.db2.gz MTYZJCVKTWMZKD-AWEZNQCLSA-N 1 0 305.338 0.621 20 5 DCBDRO CC(C)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1C ZINC000489348527 272060382 /nfs/dbraw/zinc/06/03/82/272060382.db2.gz MOSKGUQWNDWMMW-LBPRGKRZSA-N 1 0 307.354 0.984 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492561458 272135293 /nfs/dbraw/zinc/13/52/93/272135293.db2.gz KGSNVYBKOOIFJX-IYKSTZQJSA-N 1 0 305.334 0.791 20 5 DCBDRO CC(C)(O)C[NH+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000342126499 273507617 /nfs/dbraw/zinc/50/76/17/273507617.db2.gz VVALONHWNZSVNG-UHFFFAOYSA-N 1 0 322.365 0.587 20 5 DCBDRO CN1CCC2(CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)C1=O ZINC000365708900 277038591 /nfs/dbraw/zinc/03/85/91/277038591.db2.gz WTHSAICCDMMJRX-UHFFFAOYSA-N 1 0 307.354 0.736 20 5 DCBDRO CO[C@@H](C[NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261980445 277278657 /nfs/dbraw/zinc/27/86/57/277278657.db2.gz AIPQZLOSMJAUBX-ZDUSSCGKSA-N 1 0 308.338 0.217 20 5 DCBDRO C[C@H](C[NH+](C)C)NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000344878338 279279512 /nfs/dbraw/zinc/27/95/12/279279512.db2.gz BLQJZWJUZSDDOW-SNVBAGLBSA-N 1 0 301.368 0.964 20 5 DCBDRO C[C@H](CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])[NH+](C)C ZINC000273438829 279355255 /nfs/dbraw/zinc/35/52/55/279355255.db2.gz CHEUTYNRUMWPCC-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cn1 ZINC000552208243 288269295 /nfs/dbraw/zinc/26/92/95/288269295.db2.gz HYBTUEQIJNYRIP-CQSZACIVSA-N 1 0 306.322 0.176 20 5 DCBDRO COc1cc(C[NH2+]CCN2CCOCC2)c([N+](=O)[O-])cc1O ZINC000554686769 288335619 /nfs/dbraw/zinc/33/56/19/288335619.db2.gz MCFBZDHDPKMJEK-UHFFFAOYSA-N 1 0 311.338 0.731 20 5 DCBDRO CC1CC[NH+](C[C@@H](O)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000554861159 288339780 /nfs/dbraw/zinc/33/97/80/288339780.db2.gz UUNVWDMXTKNQIP-JTQLQIEISA-N 1 0 311.342 0.141 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000562977512 288611137 /nfs/dbraw/zinc/61/11/37/288611137.db2.gz BLOSSJBORRNFBG-NSHDSACASA-N 1 0 308.338 0.405 20 5 DCBDRO C[C@H]1CCCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000565342062 288845191 /nfs/dbraw/zinc/84/51/91/288845191.db2.gz FGUVTHNIEIVBDC-GXTWGEPZSA-N 1 0 311.386 0.474 20 5 DCBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCS(N)(=O)=O ZINC001654693248 1173808997 /nfs/dbraw/zinc/80/89/97/1173808997.db2.gz OKHJTHJSBPNQNZ-UHFFFAOYSA-N 1 0 317.367 0.584 20 5 DCBDRO C[NH2+]CC1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000570279328 332734417 /nfs/dbraw/zinc/73/44/17/332734417.db2.gz LMESZABGVKIXAD-UHFFFAOYSA-N 1 0 314.367 0.610 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000570964257 333469737 /nfs/dbraw/zinc/46/97/37/333469737.db2.gz KFDNTLQQBQGENL-SECBINFHSA-N 1 0 300.340 0.268 20 5 DCBDRO CN(CCC[NH3+])S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000584589955 337370505 /nfs/dbraw/zinc/37/05/05/337370505.db2.gz CUWUVGLQXXOFDW-UHFFFAOYSA-N 1 0 301.368 0.748 20 5 DCBDRO COc1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000157137995 522388651 /nfs/dbraw/zinc/38/86/51/522388651.db2.gz SUGWXTVNGOQMEA-SECBINFHSA-N 1 0 309.322 0.919 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261822148 522440554 /nfs/dbraw/zinc/44/05/54/522440554.db2.gz UMYPSVHLCDKOHP-SNVBAGLBSA-N 1 0 308.338 0.439 20 5 DCBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000188031327 524034519 /nfs/dbraw/zinc/03/45/19/524034519.db2.gz CEJQSNFAOLNLFW-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000266999216 524043469 /nfs/dbraw/zinc/04/34/69/524043469.db2.gz CEDREMMIALDFDX-UHFFFAOYSA-N 1 0 324.356 0.940 20 5 DCBDRO C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C[NH3+])C1 ZINC000261875962 524243780 /nfs/dbraw/zinc/24/37/80/524243780.db2.gz SUUGAHOGSXDLPZ-CMPLNLGQSA-N 1 0 308.338 0.342 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000124538263 525091858 /nfs/dbraw/zinc/09/18/58/525091858.db2.gz KGSKUWMXNIMHRY-SNVBAGLBSA-N 1 0 316.321 0.609 20 5 DCBDRO CS(=O)(=O)c1cc(C(=O)N[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000127871617 525239175 /nfs/dbraw/zinc/23/91/75/525239175.db2.gz NGAOQGIKBDGJGC-VIFPVBQESA-N 1 0 313.335 0.090 20 5 DCBDRO [NH3+]CC(=O)NCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000124835170 527157699 /nfs/dbraw/zinc/15/76/99/527157699.db2.gz UDCHVQLOPKLPCD-UHFFFAOYSA-N 1 0 308.338 0.109 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000237798129 527204719 /nfs/dbraw/zinc/20/47/19/527204719.db2.gz PAHGLRIAEMCOKM-LLVKDONJSA-N 1 0 316.321 0.643 20 5 DCBDRO CC(C)[NH+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000820132895 607166689 /nfs/dbraw/zinc/16/66/89/607166689.db2.gz NFXIZFHIQFAGQM-UHFFFAOYSA-N 1 0 318.341 0.700 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[N@H+](C)CCO)c1 ZINC000894590833 661985189 /nfs/dbraw/zinc/98/51/89/661985189.db2.gz NASUNHKCRFOGME-UHFFFAOYSA-N 1 0 311.338 0.742 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1COCCO1)OCCO2 ZINC000748819652 662032114 /nfs/dbraw/zinc/03/21/14/662032114.db2.gz LNKPBRRNIIPVHZ-NSHDSACASA-N 1 0 310.306 0.871 20 5 DCBDRO O=C(NCc1ccccc1[N+](=O)[O-])C1C[NH+]([C@H]2CCOC2)C1 ZINC000895757239 662212411 /nfs/dbraw/zinc/21/24/11/662212411.db2.gz PPVISCNLANGUPW-ZDUSSCGKSA-N 1 0 305.334 0.932 20 5 DCBDRO Cn1c2cc(NC[C@@H]3CC[N@@H+]3C)c([N+](=O)[O-])cc2n(C)c1=O ZINC000895768479 662213459 /nfs/dbraw/zinc/21/34/59/662213459.db2.gz CLLLEGVYHAKXNY-VIFPVBQESA-N 1 0 305.338 0.901 20 5 DCBDRO C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC000896579841 662295363 /nfs/dbraw/zinc/29/53/63/662295363.db2.gz JCUITAALVRKOMI-RISCZKNCSA-N 1 0 306.366 0.959 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@@H]2C1 ZINC000898159579 662941714 /nfs/dbraw/zinc/94/17/14/662941714.db2.gz NVWTYNBZRIAUIS-ZJUUUORDSA-N 1 0 306.322 0.719 20 5 DCBDRO C[C@@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000730080348 663044857 /nfs/dbraw/zinc/04/48/57/663044857.db2.gz BXJLTTUSHKEPML-TZMCWYRMSA-N 1 0 309.366 0.970 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898612906 663099163 /nfs/dbraw/zinc/09/91/63/663099163.db2.gz PIEYLBYGIDTNIQ-UHFFFAOYSA-N 1 0 307.354 0.796 20 5 DCBDRO Cc1c(CNC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)cccc1[N+](=O)[O-] ZINC000907695363 663712669 /nfs/dbraw/zinc/71/26/69/663712669.db2.gz KXJQDOCNECXHKA-DOMZBBRYSA-N 1 0 307.350 0.975 20 5 DCBDRO C[NH+]1CCC(N(CCO)C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000911941822 664124410 /nfs/dbraw/zinc/12/44/10/664124410.db2.gz JBGKGALCZNXOKQ-UHFFFAOYSA-N 1 0 301.387 0.737 20 5 DCBDRO O=C(NCCNc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000912113675 664141755 /nfs/dbraw/zinc/14/17/55/664141755.db2.gz QCJWHQCPXZILAV-UHIISALHSA-N 1 0 304.350 0.978 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000912598070 664189774 /nfs/dbraw/zinc/18/97/74/664189774.db2.gz ACLGYFYHMOLZBN-UHFFFAOYSA-N 1 0 313.329 0.659 20 5 DCBDRO Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)n1 ZINC000996429638 666791083 /nfs/dbraw/zinc/79/10/83/666791083.db2.gz QOJZSUDUZGCOLS-CHWSQXEVSA-N 1 0 307.354 0.166 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000861538850 666940335 /nfs/dbraw/zinc/94/03/35/666940335.db2.gz HQFQQMLVJXLCGD-ZETCQYMHSA-N 1 0 314.729 0.992 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000923382165 667521149 /nfs/dbraw/zinc/52/11/49/667521149.db2.gz RCXWGRVATZEPQB-VHDGCEQUSA-N 1 0 323.349 0.007 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000841523349 667689675 /nfs/dbraw/zinc/68/96/75/667689675.db2.gz BDXPWXURQXOZGF-QMMMGPOBSA-N 1 0 305.381 0.886 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889764666 667993824 /nfs/dbraw/zinc/99/38/24/667993824.db2.gz SUPCNPSILUWLSP-KGLIPLIRSA-N 1 0 320.349 0.661 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000874842403 668226379 /nfs/dbraw/zinc/22/63/79/668226379.db2.gz GUODPQODDJGOLR-CHWSQXEVSA-N 1 0 307.354 0.877 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000762720857 668374075 /nfs/dbraw/zinc/37/40/75/668374075.db2.gz DLKZJTNSCBNNNT-HNNXBMFYSA-N 1 0 322.365 0.457 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000876703544 668491344 /nfs/dbraw/zinc/49/13/44/668491344.db2.gz MFFDXGYUHZMVNL-UHFFFAOYSA-N 1 0 312.757 0.770 20 5 DCBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[C@@H]1CN(C)CCO1 ZINC000877100580 668562844 /nfs/dbraw/zinc/56/28/44/668562844.db2.gz UVJBIOKJFKKMSI-BBCYWQGDSA-N 1 0 309.370 0.804 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877279133 668590329 /nfs/dbraw/zinc/59/03/29/668590329.db2.gz BPNLPOHFNMAJLS-NEPJUHHUSA-N 1 0 307.354 0.843 20 5 DCBDRO COC(=O)C[C@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCOC1 ZINC000770702969 668708373 /nfs/dbraw/zinc/70/83/73/668708373.db2.gz BMWJCKGMSSEXKD-CYBMUJFWSA-N 1 0 312.326 0.493 20 5 DCBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930353363 668999857 /nfs/dbraw/zinc/99/98/57/668999857.db2.gz JGICEFKNMRRUTE-CVEARBPZSA-N 1 0 324.377 0.972 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)c1 ZINC000880070854 669154052 /nfs/dbraw/zinc/15/40/52/669154052.db2.gz XTFXZWOOJFEPEY-XHSDSOJGSA-N 1 0 321.377 0.769 20 5 DCBDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000880433559 669210575 /nfs/dbraw/zinc/21/05/75/669210575.db2.gz OXSCHLPHMARBOS-STQMWFEESA-N 1 0 311.338 0.492 20 5 DCBDRO Cn1cc(CN2CC[NH+](CCCCCO)CC2)c([N+](=O)[O-])n1 ZINC000931491927 669212336 /nfs/dbraw/zinc/21/23/36/669212336.db2.gz HHTGIENXSUURHF-UHFFFAOYSA-N 1 0 311.386 0.609 20 5 DCBDRO C[C@@H]([NH2+]Cc1cc(=O)n(C)c(=O)n1C)c1ccc([N+](=O)[O-])cc1 ZINC000932179133 669329329 /nfs/dbraw/zinc/32/93/29/669329329.db2.gz DMNAVVSFYFKVFG-SNVBAGLBSA-N 1 0 318.333 0.843 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000932536988 669381643 /nfs/dbraw/zinc/38/16/43/669381643.db2.gz WVVBMMYHUNEQFF-GFCCVEGCSA-N 1 0 307.354 0.652 20 5 DCBDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158651067 669928147 /nfs/dbraw/zinc/92/81/47/669928147.db2.gz URWRVOWVHUUOJQ-SKDRFNHKSA-N 1 0 302.352 0.651 20 5 DCBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])ccc1N ZINC000798267705 669995812 /nfs/dbraw/zinc/99/58/12/669995812.db2.gz KXDHVGDETJNJKU-NSHDSACASA-N 1 0 324.381 1.000 20 5 DCBDRO Cc1nn(C[N@@H+]2CC[C@H](CC(N)=O)C2)c2ncc([N+](=O)[O-])cc12 ZINC000808227451 670401514 /nfs/dbraw/zinc/40/15/14/670401514.db2.gz FGVVGHZLVKFJBL-SNVBAGLBSA-N 1 0 318.337 0.803 20 5 DCBDRO C[C@H]1COCCN1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819018662 671086273 /nfs/dbraw/zinc/08/62/73/671086273.db2.gz WLYZMDJUWMWTMD-SWLSCSKDSA-N 1 0 309.366 0.939 20 5 DCBDRO O=C1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CN1C1CC1 ZINC000819132299 671097630 /nfs/dbraw/zinc/09/76/30/671097630.db2.gz VUYFAMXLEQAAFV-FZMZJTMJSA-N 1 0 305.334 0.981 20 5 DCBDRO O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819131864 671097710 /nfs/dbraw/zinc/09/77/10/671097710.db2.gz QLNJDGXZOBHOGS-BXUZGUMPSA-N 1 0 305.334 0.981 20 5 DCBDRO CN1C(=O)CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1=O ZINC000819384396 671115699 /nfs/dbraw/zinc/11/56/99/671115699.db2.gz YFSQVHWVTJQUMS-RYUDHWBXSA-N 1 0 307.306 0.365 20 5 DCBDRO CC(C)(CCc1noc(-c2cn(CCC[NH3+])nn2)n1)[N+](=O)[O-] ZINC000823234378 671379896 /nfs/dbraw/zinc/37/98/96/671379896.db2.gz IYLCRRMNXLVURL-UHFFFAOYSA-N 1 0 309.330 0.665 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000829750683 671587794 /nfs/dbraw/zinc/58/77/94/671587794.db2.gz TVXZOFIHNHJAEF-UONOGXRCSA-N 1 0 307.350 0.739 20 5 DCBDRO O=C(NCCN1CCCOCC1)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000830643679 671635766 /nfs/dbraw/zinc/63/57/66/671635766.db2.gz FRWVFDNKXIDSFI-AWEZNQCLSA-N 1 0 323.349 0.467 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830865333 671644489 /nfs/dbraw/zinc/64/44/89/671644489.db2.gz MDPBAUDZYHZLGN-KWCYVHTRSA-N 1 0 324.333 0.484 20 5 DCBDRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000831280057 671662814 /nfs/dbraw/zinc/66/28/14/671662814.db2.gz BXMGODLSJHKRAH-SCRDCRAPSA-N 1 0 305.334 0.648 20 5 DCBDRO CN(CCC[NH3+])C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841183470 671918138 /nfs/dbraw/zinc/91/81/38/671918138.db2.gz PVIZLQWUANFRTL-UHFFFAOYSA-N 1 0 314.729 0.994 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841940013 671968178 /nfs/dbraw/zinc/96/81/78/671968178.db2.gz XCKBFPZWGJRSGY-GFCCVEGCSA-N 1 0 319.365 0.788 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)c1ccccc1 ZINC000843060840 672056949 /nfs/dbraw/zinc/05/69/49/672056949.db2.gz CROCNRPYRIVOHN-TUKIKUTGSA-N 1 0 320.349 0.864 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000843061625 672057898 /nfs/dbraw/zinc/05/78/98/672057898.db2.gz AJENWNBFQUEOHN-KWQFWETISA-N 1 0 324.255 0.847 20 5 DCBDRO CCOC(=O)C[C@H](CO)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074677 672059611 /nfs/dbraw/zinc/05/96/11/672059611.db2.gz HTKFBHPDRFZSQP-DGCLKSJQSA-N 1 0 312.322 0.532 20 5 DCBDRO O=C1[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1CCO ZINC000843103953 672061593 /nfs/dbraw/zinc/06/15/93/672061593.db2.gz FHPACVRZYGFWKK-KGLIPLIRSA-N 1 0 323.349 0.201 20 5 DCBDRO O=C1[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1CCO ZINC000843103952 672062039 /nfs/dbraw/zinc/06/20/39/672062039.db2.gz FHPACVRZYGFWKK-KBPBESRZSA-N 1 0 323.349 0.201 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001021861877 693793955 /nfs/dbraw/zinc/79/39/55/693793955.db2.gz BJEFZKZKYGVOOU-AOOOYVTPSA-N 1 0 319.325 0.102 20 5 DCBDRO COCC[C@H]([NH3+])C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001573976358 1163615118 /nfs/dbraw/zinc/61/51/18/1163615118.db2.gz QCASSQVHUQJUQW-ZDUSSCGKSA-N 1 0 309.322 0.548 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCNS(=O)(=O)C[C@H]1CC[NH2+]C1 ZINC001574441427 1163726850 /nfs/dbraw/zinc/72/68/50/1163726850.db2.gz XFQHFEHKAUAPLN-NSHDSACASA-N 1 0 313.379 0.666 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCNS(C)(=O)=O ZINC001620773275 1164071245 /nfs/dbraw/zinc/07/12/45/1164071245.db2.gz UUQRKWMSBUWFCX-UHFFFAOYSA-N 1 0 301.368 0.850 20 5 DCBDRO C[C@@](CO)(NC(=O)[C@@H]1[NH2+]CC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC001576039063 1164219192 /nfs/dbraw/zinc/21/91/92/1164219192.db2.gz XXKHLIAJKBEQFN-WFASDCNBSA-N 1 0 307.350 0.917 20 5 DCBDRO C[C@]([NH3+])(C(=O)NC[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC001576508196 1164368613 /nfs/dbraw/zinc/36/86/13/1164368613.db2.gz OPTHTJGORNAPPI-LSDHHAIUSA-N 1 0 320.349 0.554 20 5 DCBDRO C[NH2+]C[C@H](O)[C@@H](C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001578641534 1165075197 /nfs/dbraw/zinc/07/51/97/1165075197.db2.gz UFZDKRWDMGWXTK-YGRLFVJLSA-N 1 0 323.349 0.401 20 5 DCBDRO Cc1ccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC001579696179 1165377471 /nfs/dbraw/zinc/37/74/71/1165377471.db2.gz ZWEOFKPUQFQJHQ-CYBMUJFWSA-N 1 0 321.381 0.688 20 5 DCBDRO Nc1nccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001580472568 1165612905 /nfs/dbraw/zinc/61/29/05/1165612905.db2.gz NSVMSLKWINKNPJ-AWEZNQCLSA-N 1 0 305.338 0.788 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC001580578462 1165643356 /nfs/dbraw/zinc/64/33/56/1165643356.db2.gz FBKXFGYKRRPUKB-NSHDSACASA-N 1 0 322.369 0.615 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@]23CC[NH2+]C3)nc1 ZINC001580875552 1165749340 /nfs/dbraw/zinc/74/93/40/1165749340.db2.gz MDWURMAHUXFETF-GFCCVEGCSA-N 1 0 312.351 0.506 20 5 DCBDRO Nc1ncc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1[N+](=O)[O-] ZINC001583990103 1166298006 /nfs/dbraw/zinc/29/80/06/1166298006.db2.gz XJDLDIJIDHXBPS-GHMZBOCLSA-N 1 0 321.337 0.165 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC001584938801 1166386500 /nfs/dbraw/zinc/38/65/00/1166386500.db2.gz PXLSSSQQBRVXHR-JTQLQIEISA-N 1 0 320.305 0.323 20 5 DCBDRO C[C@@H]1[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC001590177350 1166801907 /nfs/dbraw/zinc/80/19/07/1166801907.db2.gz CYTOPMBJDVJWRQ-APPZFPTMSA-N 1 0 304.314 0.674 20 5 DCBDRO CN(CCOCc1ccc(-c2nn[nH]n2)cc1)CC[N+](=O)[O-] ZINC001591115688 1167105510 /nfs/dbraw/zinc/10/55/10/1167105510.db2.gz HCMDSTXBEAVDSK-UHFFFAOYSA-N 1 0 306.326 0.592 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001609602673 1171040877 /nfs/dbraw/zinc/04/08/77/1171040877.db2.gz CFKPMXTWVBMTDP-RKDXNWHRSA-N 1 0 301.310 0.431 20 5 DCBDRO COc1c(O)ccc(C[NH2+]CCN2CCNC2=O)c1[N+](=O)[O-] ZINC001621526659 1171411962 /nfs/dbraw/zinc/41/19/62/1171411962.db2.gz XJFKEOMBRGFJDS-UHFFFAOYSA-N 1 0 310.310 0.424 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])n1 ZINC001622218685 1171419898 /nfs/dbraw/zinc/41/98/98/1171419898.db2.gz BBXUOXAMRNGVCL-VIFPVBQESA-N 1 0 317.371 0.041 20 5 DCBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)CCOCCO ZINC001633122908 1171634337 /nfs/dbraw/zinc/63/43/37/1171634337.db2.gz NZPKKBMDOJQDEZ-UHFFFAOYSA-N 1 0 311.338 0.265 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001640128891 1171867632 /nfs/dbraw/zinc/86/76/32/1171867632.db2.gz YDCRZRDPQGPVCQ-QWRGUYRKSA-N 1 0 323.353 0.298 20 5 DCBDRO COC[C@@]1(CO)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001643116752 1171965995 /nfs/dbraw/zinc/96/59/95/1171965995.db2.gz CJIDQPORJCNLBI-GJZGRUSLSA-N 1 0 310.350 0.959 20 5 DCBDRO CN1C(=O)[C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1=O ZINC001644189554 1171998909 /nfs/dbraw/zinc/99/89/09/1171998909.db2.gz AMTMXJVQLAHEPF-XQQFMLRXSA-N 1 0 319.317 0.175 20 5 DCBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]1CO ZINC001644650816 1172013342 /nfs/dbraw/zinc/01/33/42/1172013342.db2.gz OQSDRCHEWPWSJS-NSHDSACASA-N 1 0 307.306 0.959 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001647773646 1173054930 /nfs/dbraw/zinc/05/49/30/1173054930.db2.gz ZGTIOFAVVYAEJQ-SNVBAGLBSA-N 1 0 321.333 0.806 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383832 1173748476 /nfs/dbraw/zinc/74/84/76/1173748476.db2.gz PFQVKJOZUFMSBD-MNOVXSKESA-N 1 0 305.338 0.762 20 5 DCBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C[NH+](C)C ZINC001651555896 1173750227 /nfs/dbraw/zinc/75/02/27/1173750227.db2.gz RKUPCVLRVMZCCS-LLVKDONJSA-N 1 0 310.354 0.874 20 5 DCBDRO O=C(CC[N@@H+]1C[C@H](O)[C@@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654687925 1173809385 /nfs/dbraw/zinc/80/93/85/1173809385.db2.gz FLWINVCBQOACRI-MFKMUULPSA-N 1 0 309.322 0.208 20 5 DCBDRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC001659189747 1173930945 /nfs/dbraw/zinc/93/09/45/1173930945.db2.gz OHRPLKSBIMOMTD-NQBHXWOUSA-N 1 0 322.365 0.731 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)NCCN1CC[NH+](C)CC1 ZINC001660510853 1174003405 /nfs/dbraw/zinc/00/34/05/1174003405.db2.gz SPTQIVHJWGAMAL-UHFFFAOYSA-N 1 0 322.369 0.089 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)CS(C)(=O)=O ZINC001663378491 1174293155 /nfs/dbraw/zinc/29/31/55/1174293155.db2.gz OOSOGQBNTIKLCO-NSHDSACASA-N 1 0 316.379 0.707 20 5 DCBDRO NC(=O)C(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001666783296 1174635453 /nfs/dbraw/zinc/63/54/53/1174635453.db2.gz VWXZBPTYNIVUCN-UHFFFAOYSA-N 1 0 320.349 0.599 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001671785551 1175035846 /nfs/dbraw/zinc/03/58/46/1175035846.db2.gz YGMBCWQQKQTAOM-JTQLQIEISA-N 1 0 312.301 0.922 20 5 DCBDRO Cc1ncsc1CC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001699650836 1178239603 /nfs/dbraw/zinc/23/96/03/1178239603.db2.gz GEXHKXGPZFZFKC-GHMZBOCLSA-N 1 0 324.406 0.898 20 5 DCBDRO CC(C)n1cc(CNCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001713591800 1180950355 /nfs/dbraw/zinc/95/03/55/1180950355.db2.gz YBCNLFZZWVTRCZ-VXGBXAGGSA-N 1 0 310.358 0.072 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000237551519 1181016936 /nfs/dbraw/zinc/01/69/36/1181016936.db2.gz YSMSSCQCEAEBDC-RNCFNFMXSA-N 1 0 320.349 0.567 20 5 DCBDRO Cc1cnc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)o1 ZINC001717150036 1182697246 /nfs/dbraw/zinc/69/72/46/1182697246.db2.gz LPOJWCYYAWPMQH-GHMZBOCLSA-N 1 0 308.338 0.777 20 5 DCBDRO O=C(NCCC1CCN(Cc2cnon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732321871 1185765357 /nfs/dbraw/zinc/76/53/57/1185765357.db2.gz QQNSNDFQHCBIIT-CHWSQXEVSA-N 1 0 323.353 0.453 20 5 DCBDRO COCC(=O)NCC1([NH2+]Cc2c([N+](=O)[O-])ncn2C)CCC1 ZINC001754976261 1188985587 /nfs/dbraw/zinc/98/55/87/1188985587.db2.gz UFGLBSWAAXYGHO-UHFFFAOYSA-N 1 0 311.342 0.103 20 5 DCBDRO O=[N+]([O-])c1ccc2nc(N3CCN4CC[NH2+]C[C@@H]4C3)cnc2c1 ZINC001164390255 718830779 /nfs/dbraw/zinc/83/07/79/718830779.db2.gz CXLQOTQDMYNGGS-GFCCVEGCSA-N 1 0 314.349 0.632 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC001164671284 719378474 /nfs/dbraw/zinc/37/84/74/719378474.db2.gz VXOKXAYBLHTFGX-BDAKNGLRSA-N 1 0 313.745 0.866 20 5 DCBDRO Cn1nccc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001124538653 751668671 /nfs/dbraw/zinc/66/86/71/751668671.db2.gz CGLAMONBDYKERS-UHFFFAOYSA-N 1 0 309.351 0.909 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccnnc1 ZINC001167283478 747056041 /nfs/dbraw/zinc/05/60/41/747056041.db2.gz GAJIBOWJFSQGPF-UHFFFAOYSA-N 1 0 319.325 0.028 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cncnc1 ZINC001126093287 748217481 /nfs/dbraw/zinc/21/74/81/748217481.db2.gz AOGGSAJFPUZNKU-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC001118176969 754924150 /nfs/dbraw/zinc/92/41/50/754924150.db2.gz RCQKHYAHMSEOKH-VIFPVBQESA-N 1 0 317.367 0.880 20 5 DCBDRO CC(C)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001098366223 762654645 /nfs/dbraw/zinc/65/46/45/762654645.db2.gz XUGZRDXPHJBKJQ-ZIAGYGMSSA-N 1 0 313.398 0.593 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cncc(F)c2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086082923 759691080 /nfs/dbraw/zinc/69/10/80/759691080.db2.gz IAAXBZPZCMAOFV-GJQVQUKXSA-N 1 0 322.340 0.870 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]CCn2cccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084654 759694822 /nfs/dbraw/zinc/69/48/22/759694822.db2.gz ZWKBCRODISNSSH-YVECIDJPSA-N 1 0 307.354 0.033 20 5 DCBDRO Cn1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001086363144 760100968 /nfs/dbraw/zinc/10/09/68/760100968.db2.gz DODSYUNVUHKTNC-OJAKKHQRSA-N 1 0 307.354 0.070 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1C ZINC001086363285 760101590 /nfs/dbraw/zinc/10/15/90/760101590.db2.gz LVPMUGRBZANICR-HBJVGIJOSA-N 1 0 321.381 0.378 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(Cl)cc1-n1nnnc1C[NH3+] ZINC001168924460 760515509 /nfs/dbraw/zinc/51/55/09/760515509.db2.gz YAOKHOZLSCLHAX-UHFFFAOYSA-N 1 0 312.673 0.469 20 5 DCBDRO CCS(=O)(=O)N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168968449 760534475 /nfs/dbraw/zinc/53/44/75/760534475.db2.gz ZFIFWDPTEBXAGY-AAEUAGOBSA-N 1 0 319.427 0.836 20 5 DCBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(=O)NCC(N)=O ZINC001169001202 760542093 /nfs/dbraw/zinc/54/20/93/760542093.db2.gz DLLZANJKPKRQES-UTUOFQBUSA-N 1 0 314.386 0.038 20 5 DCBDRO [NH3+]CCC(=O)NCCc1cncn1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987270 760545296 /nfs/dbraw/zinc/54/52/96/760545296.db2.gz HVMJFVQBZQGQGF-RYUDHWBXSA-N 1 0 309.370 0.509 20 5 DCBDRO CCS(=O)(=O)N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169049667 760563575 /nfs/dbraw/zinc/56/35/75/760563575.db2.gz XQKQUBIKBLMZKE-DGCLKSJQSA-N 1 0 319.427 0.836 20 5 DCBDRO Cc1c(-n2cncc2C[C@@H]([NH3+])CO)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001169074514 760573113 /nfs/dbraw/zinc/57/31/13/760573113.db2.gz QEHAQKYUDVWGEH-SECBINFHSA-N 1 0 321.293 0.859 20 5 DCBDRO COc1ccc(CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])nn1 ZINC001169467761 760692436 /nfs/dbraw/zinc/69/24/36/760692436.db2.gz NOTVZHAOASKQCV-UHFFFAOYSA-N 1 0 317.309 0.482 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cnc[nH]c1=O ZINC001130076998 763116465 /nfs/dbraw/zinc/11/64/65/763116465.db2.gz LIMNKQLLGILNSW-UHFFFAOYSA-N 1 0 323.334 0.672 20 5 DCBDRO COc1cc(NCCOCCOCC[NH3+])cnc1[N+](=O)[O-] ZINC001170510944 763443229 /nfs/dbraw/zinc/44/32/29/763443229.db2.gz HQMGIBAWLLZIRO-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001116342076 765862508 /nfs/dbraw/zinc/86/25/08/765862508.db2.gz MDLCTYPERCGVPC-RYUDHWBXSA-N 1 0 322.365 0.555 20 5 DCBDRO C[NH+]1CCN(CCCNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001135877709 766149985 /nfs/dbraw/zinc/14/99/85/766149985.db2.gz NHZACVHZXCZHLW-UHFFFAOYSA-N 1 0 300.403 0.576 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nccc(OC)c1[N+](=O)[O-] ZINC001170871017 766171019 /nfs/dbraw/zinc/17/10/19/766171019.db2.gz XVKDVWNBKRPHBL-RKDXNWHRSA-N 1 0 310.310 0.561 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC001117996593 766189834 /nfs/dbraw/zinc/18/98/34/766189834.db2.gz KYEREIKRVHDTRV-UHFFFAOYSA-N 1 0 322.365 0.823 20 5 DCBDRO COC(=O)c1ccc(OCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC001118134846 766233157 /nfs/dbraw/zinc/23/31/57/766233157.db2.gz GMXUCUYGOSYDRR-UHFFFAOYSA-N 1 0 323.305 0.192 20 5 DCBDRO C[NH2+]C[C@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001119308023 766629672 /nfs/dbraw/zinc/62/96/72/766629672.db2.gz DPCSRFAZRHEETB-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCCC1CC[NH+](C)CC1 ZINC001119821039 766826384 /nfs/dbraw/zinc/82/63/84/766826384.db2.gz GTOIXJZOEDSGDN-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO CC1(C)CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[NH2+]1 ZINC001120959102 767326063 /nfs/dbraw/zinc/32/60/63/767326063.db2.gz FRGJBDFTMJNXAP-UHFFFAOYSA-N 1 0 322.369 0.410 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122417258 767797786 /nfs/dbraw/zinc/79/77/86/767797786.db2.gz BIXDHODZWVFHJZ-NSHDSACASA-N 1 0 309.322 0.420 20 5 DCBDRO Cc1cc(N2CCN(C(=O)CC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC001093193428 768483094 /nfs/dbraw/zinc/48/30/94/768483094.db2.gz LPMJCWZUDPELFY-UHFFFAOYSA-N 1 0 321.381 0.899 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C1C[NH2+]C1)S(C)(=O)=O ZINC001173234213 769567245 /nfs/dbraw/zinc/56/72/45/769567245.db2.gz PWBCWKPYEXTUSO-SNVBAGLBSA-N 1 0 313.379 0.759 20 5 DCBDRO CCOC(=O)CNC(=O)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214617 769569157 /nfs/dbraw/zinc/56/91/57/769569157.db2.gz CWHUZZNNAATDMR-NSHDSACASA-N 1 0 323.349 0.795 20 5 DCBDRO COC(=O)c1ccnc(N2CCOC[C@H]2C[NH+](C)C)c1[N+](=O)[O-] ZINC001154976560 770357772 /nfs/dbraw/zinc/35/77/72/770357772.db2.gz ILYWQXFZHANCCC-SNVBAGLBSA-N 1 0 324.337 0.543 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001155160306 770419431 /nfs/dbraw/zinc/41/94/31/770419431.db2.gz TYDSSQJDMOMYEE-LBPRGKRZSA-N 1 0 309.326 0.289 20 5 DCBDRO COc1cc2ncnc(N[C@@H]3COC[C@@H]3[NH3+])c2cc1[N+](=O)[O-] ZINC001155345500 770473715 /nfs/dbraw/zinc/47/37/15/770473715.db2.gz FUPRCYDZNNLBCN-WCBMZHEXSA-N 1 0 305.294 0.685 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c([N+](=O)[O-])c1 ZINC001155522997 770533979 /nfs/dbraw/zinc/53/39/79/770533979.db2.gz MEVZBMUXWQNKHR-UISBYWKRSA-N 1 0 323.309 0.934 20 5 DCBDRO COc1ncnc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001155527637 770535082 /nfs/dbraw/zinc/53/50/82/770535082.db2.gz MZKMIPLQDBHTAB-BBBLOLIVSA-N 1 0 309.326 0.430 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001155543457 770538796 /nfs/dbraw/zinc/53/87/96/770538796.db2.gz IDHXMOLFDSEWCG-YMTOWFKASA-N 1 0 322.321 0.709 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2ccc3[nH]cc([N+](=O)[O-])c3n2)N1 ZINC001155573193 770550003 /nfs/dbraw/zinc/55/00/03/770550003.db2.gz AJKLDQABVBEAAY-ZANVPECISA-N 1 0 302.294 0.461 20 5 DCBDRO CN(c1ccc2cccc([N+](=O)[O-])c2n1)S(=O)(=O)CC[NH3+] ZINC001156236037 770758847 /nfs/dbraw/zinc/75/88/47/770758847.db2.gz BOFDTZYTTFQOPU-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO COc1cc(C)nc(-n2c(C)ncc(C[NH3+])c2=N)c1[N+](=O)[O-] ZINC001156829876 770938310 /nfs/dbraw/zinc/93/83/10/770938310.db2.gz WLJUUPFTUNXLSI-UHFFFAOYSA-N 1 0 304.310 0.739 20 5 DCBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC[C@H]2C[C@H]21 ZINC001157133198 771543789 /nfs/dbraw/zinc/54/37/89/771543789.db2.gz QSHXQRFLVVLAHJ-WDEREUQCSA-N 1 0 304.354 0.783 20 5 DCBDRO Cn1nncc1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001157349041 771592478 /nfs/dbraw/zinc/59/24/78/771592478.db2.gz FSROXTDPZATMDK-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO O=[N+]([O-])c1cnc(NC2(c3cccnn3)CC2)nc1C1C[NH2+]C1 ZINC001157723947 771659488 /nfs/dbraw/zinc/65/94/88/771659488.db2.gz GJDPFHCQZAVJMP-UHFFFAOYSA-N 1 0 313.321 0.963 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ncc(C2CC2)o1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157760299 771664718 /nfs/dbraw/zinc/66/47/18/771664718.db2.gz AYLNUJNMRDCOHB-GHMZBOCLSA-N 1 0 308.338 0.813 20 5 DCBDRO COc1cc2ncnc(N3C[C@@H](OC)[C@@H]([NH3+])C3)c2cc1[N+](=O)[O-] ZINC001158711825 771811739 /nfs/dbraw/zinc/81/17/39/771811739.db2.gz VGEQHEJOIJQSFV-TVQRCGJNSA-N 1 0 319.321 0.709 20 5 DCBDRO [NH3+][C@H]1CN(c2cnc3cc([N+](=O)[O-])ccc3n2)CC12COC2 ZINC001158764172 771818718 /nfs/dbraw/zinc/81/87/18/771818718.db2.gz LGHMMBDKWWBINS-LBPRGKRZSA-N 1 0 301.306 0.702 20 5 DCBDRO COc1nc(-n2nnc3ccc(C[NH3+])cc32)ncc1[N+](=O)[O-] ZINC001159022872 771848177 /nfs/dbraw/zinc/84/81/77/771848177.db2.gz IIQILQDBMQREOI-UHFFFAOYSA-N 1 0 301.266 0.586 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[NH2+]C3)CC2)n1 ZINC001159050189 771852733 /nfs/dbraw/zinc/85/27/33/771852733.db2.gz VQWMURGNJATMOL-UHFFFAOYSA-N 1 0 320.353 0.841 20 5 DCBDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2ccc([N+](=O)[O-])c(N)n2)O1 ZINC001159240458 771882122 /nfs/dbraw/zinc/88/21/22/771882122.db2.gz QXQZLEKGOICIJF-GIPNMCIBSA-N 1 0 311.342 0.709 20 5 DCBDRO C[C@@H](Nc1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001159501757 771920156 /nfs/dbraw/zinc/92/01/56/771920156.db2.gz XJGSWHFIGZYDNY-APPZFPTMSA-N 1 0 302.718 0.670 20 5 DCBDRO Cc1nnc(CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])o1 ZINC001161709998 772271293 /nfs/dbraw/zinc/27/12/93/772271293.db2.gz AFSYHFWHUGVZQR-UHFFFAOYSA-N 1 0 320.313 0.098 20 5 DCBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001162090195 772324471 /nfs/dbraw/zinc/32/44/71/772324471.db2.gz IMKYHOGRPSLYFS-VIFPVBQESA-N 1 0 315.761 0.587 20 5 DCBDRO COc1cc(N(CC[NH3+])S(C)(=O)=O)cc([N+](=O)[O-])c1C ZINC001162128624 772330022 /nfs/dbraw/zinc/33/00/22/772330022.db2.gz ILHKMZFIOAKBFV-UHFFFAOYSA-N 1 0 303.340 0.637 20 5 DCBDRO Cc1c(N(CC[NH3+])S(C)(=O)=O)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162128237 772330251 /nfs/dbraw/zinc/33/02/51/772330251.db2.gz ABXCLNFSANMNMV-UHFFFAOYSA-N 1 0 318.311 0.536 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163202688 772481203 /nfs/dbraw/zinc/48/12/03/772481203.db2.gz KPMDUKUDMAEHTG-YMTOWFKASA-N 1 0 307.306 0.924 20 5 DCBDRO COC(=O)c1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc([N+](=O)[O-])c1 ZINC001163252082 772491915 /nfs/dbraw/zinc/49/19/15/772491915.db2.gz DTWJKCZSUPEPED-SMDDNHRTSA-N 1 0 320.305 0.371 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NC[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)n1 ZINC001163273001 772497026 /nfs/dbraw/zinc/49/70/26/772497026.db2.gz XHUXPFMIHLFHDG-IINYFYTJSA-N 1 0 323.353 0.964 20 5 DCBDRO Cc1c[n+]([O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC001163308402 772504238 /nfs/dbraw/zinc/50/42/38/772504238.db2.gz DFJOJFUVEASNON-BXUZGUMPSA-N 1 0 308.338 0.860 20 5 DCBDRO CCOC(=O)C=C(N)Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001163442762 772526115 /nfs/dbraw/zinc/52/61/15/772526115.db2.gz HMSSUZYBKPNIRG-UHFFFAOYSA-N 1 0 308.298 0.414 20 5 DCBDRO CCOC(=O)c1cn(-c2ncc(OC)cc2[N+](=O)[O-])nc1C[NH3+] ZINC001163521044 772533652 /nfs/dbraw/zinc/53/36/52/772533652.db2.gz VKBWGXZIZRZXTH-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO CCOC(=O)CC1([NH3+])CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1 ZINC001163528330 772535606 /nfs/dbraw/zinc/53/56/06/772535606.db2.gz LMKQPYRPFMNLMI-UHFFFAOYSA-N 1 0 323.353 0.823 20 5 DCBDRO Cc1nn[nH]c1C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001163740165 772564512 /nfs/dbraw/zinc/56/45/12/772564512.db2.gz MKGXHDSYMKACKK-UHFFFAOYSA-N 1 0 318.337 0.931 20 5 DCBDRO CN(c1ncc2cccc([N+](=O)[O-])c2n1)S(=O)(=O)CC[NH3+] ZINC001164292312 772638326 /nfs/dbraw/zinc/63/83/26/772638326.db2.gz IWJSUROFVQAGKA-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO COc1nc(C)c(N(C)S(=O)(=O)CC[NH3+])cc1[N+](=O)[O-] ZINC001164296792 772640657 /nfs/dbraw/zinc/64/06/57/772640657.db2.gz PSIAAEQFASOWMS-UHFFFAOYSA-N 1 0 304.328 0.032 20 5 DCBDRO COc1nc(N2C[C@H]3C[NH+](C)C[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001165151459 772701714 /nfs/dbraw/zinc/70/17/14/772701714.db2.gz UZCKJFNQNCQFPV-RKDXNWHRSA-N 1 0 309.326 0.400 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@]3(CCOC3)C2)nc1C1C[NH2+]C1 ZINC001165254008 772711166 /nfs/dbraw/zinc/71/11/66/772711166.db2.gz DXABJVYTEVFGDT-AWEZNQCLSA-N 1 0 305.338 0.688 20 5 DCBDRO O=[N+]([O-])c1cnc(Cl)nc1N1CCO[C@@H]2C[NH2+]CC[C@@H]2C1 ZINC001165287144 772717889 /nfs/dbraw/zinc/71/78/89/772717889.db2.gz QKJRBNMPNKFIMG-PSASIEDQSA-N 1 0 313.745 0.853 20 5 DCBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2CCNC(=O)C23C[NH2+]C3)n1 ZINC001165297726 772719966 /nfs/dbraw/zinc/71/99/66/772719966.db2.gz GWJYTLVCKNKMOI-UHFFFAOYSA-N 1 0 311.729 0.230 20 5 DCBDRO CS(=O)(=O)N(c1cnc2ccc([N+](=O)[O-])cc2n1)C1C[NH2+]C1 ZINC001166966837 772892201 /nfs/dbraw/zinc/89/22/01/772892201.db2.gz JJCQIKVBBUNEEW-UHFFFAOYSA-N 1 0 323.334 0.276 20 5 DCBDRO CCON(CC)C(=O)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001206688656 773099147 /nfs/dbraw/zinc/09/91/47/773099147.db2.gz CQZJJKMYCMAMEP-UHFFFAOYSA-N 1 0 311.342 0.884 20 5 DCBDRO Cc1nccnc1[C@@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001197543531 773764113 /nfs/dbraw/zinc/76/41/13/773764113.db2.gz QXQBRMBQRNNTBK-ZYHUDNBSSA-N 1 0 306.326 0.601 20 5 DCBDRO CC(C)(C)OC(=O)/C=C/COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001225001051 775630110 /nfs/dbraw/zinc/63/01/10/775630110.db2.gz GYCISGLHGXCABO-ABZNLYFFSA-N 1 0 302.391 0.885 20 5 DCBDRO CC(=O)O[C@@H]1C[C@@H]2C[C@H](Oc3ncncc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001228655926 776109807 /nfs/dbraw/zinc/10/98/07/776109807.db2.gz XMJXVOWXNVZPOM-MEWQQHAOSA-N 1 0 322.321 0.930 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)C(N)=O ZINC001317598419 945100580 /nfs/dbraw/zinc/10/05/80/945100580.db2.gz RWRBHWCJZKXBNI-UHFFFAOYSA-N 1 0 322.365 0.654 20 5 DCBDRO CCN(CC[NH2+]Cc1nccnc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450174 940126730 /nfs/dbraw/zinc/12/67/30/940126730.db2.gz RFBVQLALVPSCLX-DGCLKSJQSA-N 1 0 307.354 0.388 20 5 DCBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccc[nH]1 ZINC001483452548 942364733 /nfs/dbraw/zinc/36/47/33/942364733.db2.gz ZXYNIYFJCDLYRT-UHFFFAOYSA-N 1 0 320.353 0.908 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1cnn(C)n1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001485251105 943771751 /nfs/dbraw/zinc/77/17/51/943771751.db2.gz YYBZIDPWYXBHPT-VXGBXAGGSA-N 1 0 324.385 0.055 20 5 DCBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccc2nonc2c1 ZINC001317448199 944976133 /nfs/dbraw/zinc/97/61/33/944976133.db2.gz PUAMDZGVFUXGNS-ZWNOBZJWSA-N 1 0 319.321 0.436 20 5 DCBDRO C[N@H+](CCNC(=O)c1cnon1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317466462 944987444 /nfs/dbraw/zinc/98/74/44/944987444.db2.gz SSKGOEMWBSYRKB-UHFFFAOYSA-N 1 0 305.294 0.840 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3C[NH2+]C[C@@H]3CO)CC2)cc1 ZINC001246300205 945379948 /nfs/dbraw/zinc/37/99/48/945379948.db2.gz QFBMJQKVCSZKEB-WBMJQRKESA-N 1 0 320.393 0.734 20 5 DCBDRO COC(=O)[C@H](CCC[NH3+])N[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001246403005 945404299 /nfs/dbraw/zinc/40/42/99/945404299.db2.gz ZDEHPIZGBCFMSY-OCCSQVGLSA-N 1 0 307.350 0.932 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@@]23C[NH2+]C[C@@H]2CCN3)n1 ZINC001247838049 945575706 /nfs/dbraw/zinc/57/57/06/945575706.db2.gz RPVUKILTCMYWCV-WPPNPWJKSA-N 1 0 320.284 0.587 20 5 DCBDRO O=Cc1ccc(OCC(=O)NCC[NH+]2CCC2)c([N+](=O)[O-])c1 ZINC001319434744 945585631 /nfs/dbraw/zinc/58/56/31/945585631.db2.gz YVLOTSNGYIBNAN-UHFFFAOYSA-N 1 0 307.306 0.608 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCS(=O)(=O)C3CC3)C2)c1 ZINC001462348711 1013063956 /nfs/dbraw/zinc/06/39/56/1013063956.db2.gz OQXOWNQZCCAUIR-UHFFFAOYSA-N 1 0 314.367 0.662 20 5 DCBDRO C[C@@H](CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC001253411498 946119197 /nfs/dbraw/zinc/11/91/97/946119197.db2.gz IXNALSDFXYSIAR-JTQLQIEISA-N 1 0 308.338 0.355 20 5 DCBDRO N[C@@H]1COC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254466581 946397404 /nfs/dbraw/zinc/39/74/04/946397404.db2.gz FOBZANDXAJWESO-HUUCEWRRSA-N 1 0 306.366 0.879 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@H](O)[C@@H](CO)C3)CC2)cc1 ZINC001254474451 946400267 /nfs/dbraw/zinc/40/02/67/946400267.db2.gz QPZIBAGPRPONEB-WBMJQRKESA-N 1 0 321.377 0.849 20 5 DCBDRO CC(C)[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1nncn1C ZINC001323546397 947122088 /nfs/dbraw/zinc/12/20/88/947122088.db2.gz TYGWBWXHUPEDTL-NEPJUHHUSA-N 1 0 323.357 0.268 20 5 DCBDRO COC[C@@]1(c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)CC[NH2+]C1 ZINC001325896557 947969532 /nfs/dbraw/zinc/96/95/32/947969532.db2.gz PBBRAWSJCHLDNH-CQSZACIVSA-N 1 0 319.321 0.841 20 5 DCBDRO CS(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC001326088129 948049529 /nfs/dbraw/zinc/04/95/29/948049529.db2.gz QGJUXKWQYMWLIN-VIFPVBQESA-N 1 0 313.335 0.172 20 5 DCBDRO Cc1noc(CCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC001326146879 948069519 /nfs/dbraw/zinc/06/95/19/948069519.db2.gz MMJUMKBMRDZNGU-NSHDSACASA-N 1 0 310.314 0.066 20 5 DCBDRO [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC001326938165 948335423 /nfs/dbraw/zinc/33/54/23/948335423.db2.gz PSPHLPAQGUOADM-ZYHUDNBSSA-N 1 0 323.353 0.676 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001328221357 948753213 /nfs/dbraw/zinc/75/32/13/948753213.db2.gz QEMYFPOMFWHALR-JTQLQIEISA-N 1 0 318.337 0.903 20 5 DCBDRO CC[N@H+](CCCNC(=O)C(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001265131163 949342419 /nfs/dbraw/zinc/34/24/19/949342419.db2.gz PAAQXSRTQWKIRB-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC001330150403 950150111 /nfs/dbraw/zinc/15/01/11/950150111.db2.gz TWSRTEXTUIXUCI-LLVKDONJSA-N 1 0 308.338 0.433 20 5 DCBDRO Cc1noc(C[NH2+][C@H](CC(N)=O)C2CCOCC2)c1[N+](=O)[O-] ZINC001330559167 950507878 /nfs/dbraw/zinc/50/78/78/950507878.db2.gz LVSIAZNRQVCYNA-SNVBAGLBSA-N 1 0 312.326 0.651 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331930432 951395162 /nfs/dbraw/zinc/39/51/62/951395162.db2.gz FYBKRFVLQDPWJK-DZGCQCFKSA-N 1 0 305.334 0.892 20 5 DCBDRO CS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC001332393906 951628531 /nfs/dbraw/zinc/62/85/31/951628531.db2.gz QGJUXKWQYMWLIN-SECBINFHSA-N 1 0 313.335 0.172 20 5 DCBDRO Cc1nc(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC001333741643 952145014 /nfs/dbraw/zinc/14/50/14/952145014.db2.gz SSEZQDFOKAIGST-LBPRGKRZSA-N 1 0 307.354 0.729 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001336756602 952761759 /nfs/dbraw/zinc/76/17/59/952761759.db2.gz XCRZTUYNFAWERV-CQSZACIVSA-N 1 0 322.365 0.767 20 5 DCBDRO O=C(C[NH+]1CCC(CO)CC1)NCCc1ccccc1[N+](=O)[O-] ZINC001337204561 952827388 /nfs/dbraw/zinc/82/73/88/952827388.db2.gz GYWRYIZSJFLGGO-UHFFFAOYSA-N 1 0 321.377 0.958 20 5 DCBDRO CC[C@H](C)[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001338015399 952947486 /nfs/dbraw/zinc/94/74/86/952947486.db2.gz MSIBGQFAMIPVER-LBPRGKRZSA-N 1 0 310.402 0.945 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341339585 953224808 /nfs/dbraw/zinc/22/48/08/953224808.db2.gz QJSOVVMMIINJBC-AWEZNQCLSA-N 1 0 307.354 0.844 20 5 DCBDRO COc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)cc1[N+](=O)[O-] ZINC001346532698 953913292 /nfs/dbraw/zinc/91/32/92/953913292.db2.gz USJAFPACSCAAHQ-GWCFXTLKSA-N 1 0 320.349 0.930 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001346567639 953920899 /nfs/dbraw/zinc/92/08/99/953920899.db2.gz YSWUQINAUIJPHZ-NHYWBVRUSA-N 1 0 316.361 0.825 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001350355805 955068616 /nfs/dbraw/zinc/06/86/16/955068616.db2.gz UVIXTOPDKJQREU-NSHDSACASA-N 1 0 322.365 0.320 20 5 DCBDRO C[C@]1(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[NH+]2CCC1CC2 ZINC001300610590 956385608 /nfs/dbraw/zinc/38/56/08/956385608.db2.gz PESIVFQIPRITRA-AWEZNQCLSA-N 1 0 305.338 0.786 20 5 DCBDRO CN1CCCC[C@@H]1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001464733596 1015943535 /nfs/dbraw/zinc/94/35/35/1015943535.db2.gz WRLYPYKJKGICIP-SNVBAGLBSA-N 1 0 314.367 0.752 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC001468315820 1016242617 /nfs/dbraw/zinc/24/26/17/1016242617.db2.gz GWLNZSYATFNQED-SNVBAGLBSA-N 1 0 311.342 0.203 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001470964005 1016507541 /nfs/dbraw/zinc/50/75/41/1016507541.db2.gz TUJQSNCBOXLNGP-GFCCVEGCSA-N 1 0 315.333 0.975 20 5 DCBDRO CN(CCCNC(=O)Cn1cc([N+](=O)[O-])cn1)c1ccccn1 ZINC001471490234 1016588055 /nfs/dbraw/zinc/58/80/55/1016588055.db2.gz DOMZKXQECPYDAG-UHFFFAOYSA-N 1 0 318.337 0.829 20 5 DCBDRO CN1CC[C@H]([NH+]2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)C1=O ZINC001472810854 1016855891 /nfs/dbraw/zinc/85/58/91/1016855891.db2.gz AMYKXRGAVPGAGN-LBPRGKRZSA-N 1 0 320.353 0.492 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001444544594 1011055439 /nfs/dbraw/zinc/05/54/39/1011055439.db2.gz CLITVRMHCQXRES-KOLCDFICSA-N 1 0 307.354 0.984 20 5 DCBDRO COC(=O)[C@@H](NCCCNc1c([N+](=O)[O-])cnn1C)C(C)C ZINC001559198349 1012408308 /nfs/dbraw/zinc/40/83/08/1012408308.db2.gz LRYYYBANKZOXJI-NSHDSACASA-N 1 0 313.358 0.918 20 5 DCBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001559284829 1012415576 /nfs/dbraw/zinc/41/55/76/1012415576.db2.gz RUXJKWCXSCIAGZ-HZMBPMFUSA-N 1 0 321.381 0.740 20 5 DCBDRO O=C(CC[N@H+]1CC[C@@H](O)[C@@H](O)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001560074345 1012440007 /nfs/dbraw/zinc/44/00/07/1012440007.db2.gz RHKPKOBTOVWJDY-OLZOCXBDSA-N 1 0 309.322 0.351 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001543837618 1012527918 /nfs/dbraw/zinc/52/79/18/1012527918.db2.gz NEJOBQYCCPIVDM-SNVBAGLBSA-N 1 0 309.326 0.023 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001543837617 1012528624 /nfs/dbraw/zinc/52/86/24/1012528624.db2.gz NEJOBQYCCPIVDM-JTQLQIEISA-N 1 0 309.326 0.023 20 5 DCBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001543969444 1012529759 /nfs/dbraw/zinc/52/97/59/1012529759.db2.gz QQXWRROZJPJJGQ-SNVBAGLBSA-N 1 0 307.354 0.986 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001521820159 1017409821 /nfs/dbraw/zinc/40/98/21/1017409821.db2.gz IZKRRUVMYALSKP-HTQZYQBOSA-N 1 0 306.244 0.895 20 5 DCBDRO CC(C)C[NH+]1CCN(CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001479920195 1017977012 /nfs/dbraw/zinc/97/70/12/1017977012.db2.gz PUIURCLDYHNWGE-ZIAGYGMSSA-N 1 0 312.414 0.432 20 5 DCBDRO CN(C)S(=O)(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000291503404 282161468 /nfs/dbraw/zinc/16/14/68/282161468.db2.gz VWFCRBRCNTYYEE-UHFFFAOYSA-N 1 0 302.356 0.080 20 5 DCBDRO CC[C@@]1(CO)CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000187519021 529552439 /nfs/dbraw/zinc/55/24/39/529552439.db2.gz PYIFDUICIIXYCZ-UONOGXRCSA-N 1 0 312.370 0.637 20 5 DCBDRO C[NH2+]C[C@@H]1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)C1 ZINC000178900725 529993213 /nfs/dbraw/zinc/99/32/13/529993213.db2.gz ZDLKFWZQECLEPD-LBPRGKRZSA-N 1 0 313.379 0.966 20 5 DCBDRO Nc1nccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC000519619307 412521666 /nfs/dbraw/zinc/52/16/66/412521666.db2.gz WACSYMODGZKEHS-JTQLQIEISA-N 1 0 323.353 0.149 20 5 DCBDRO C[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000269246190 290763139 /nfs/dbraw/zinc/76/31/39/290763139.db2.gz ZPTINIOJFFNICG-VIFPVBQESA-N 1 0 307.306 0.800 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H](CO)C1 ZINC000174706795 198373475 /nfs/dbraw/zinc/37/34/75/198373475.db2.gz NWAPJGSVNQVAFP-JTQLQIEISA-N 1 0 309.322 0.856 20 5 DCBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000177604043 198750941 /nfs/dbraw/zinc/75/09/41/198750941.db2.gz AJQISLFDVUVDTD-NEPJUHHUSA-N 1 0 322.365 0.746 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000133212760 283586482 /nfs/dbraw/zinc/58/64/82/283586482.db2.gz KNIHGSWIVCRXHD-JTQLQIEISA-N 1 0 301.368 0.870 20 5 DCBDRO CC(C)[NH2+]CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315297053 291253289 /nfs/dbraw/zinc/25/32/89/291253289.db2.gz OVYCHQZVHNFZDT-UHFFFAOYSA-N 1 0 307.354 0.636 20 5 DCBDRO CC(C)OC(=O)[C@@H](C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000566112447 291270627 /nfs/dbraw/zinc/27/06/27/291270627.db2.gz OFYKIEHDYQDUMG-JQWIXIFHSA-N 1 0 314.342 0.330 20 5 DCBDRO O=C(C[NH2+]CC1CC1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000566196987 291280595 /nfs/dbraw/zinc/28/05/95/291280595.db2.gz CDMPPUVZCZVOKI-UHFFFAOYSA-N 1 0 307.354 0.954 20 5 DCBDRO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000281527734 216362881 /nfs/dbraw/zinc/36/28/81/216362881.db2.gz ZUJFIQGISVKLRE-ZYHUDNBSSA-N 1 0 314.342 0.426 20 5 DCBDRO CN(C)C[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566233503 291285771 /nfs/dbraw/zinc/28/57/71/291285771.db2.gz LGMFAYSYKJBYPV-NSHDSACASA-N 1 0 310.354 0.436 20 5 DCBDRO Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000420482744 240040474 /nfs/dbraw/zinc/04/04/74/240040474.db2.gz UYYCKZDTVIKGRD-SNVBAGLBSA-N 1 0 315.351 0.170 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000275420842 212322837 /nfs/dbraw/zinc/32/28/37/212322837.db2.gz MPDBGXTWORAOLI-UHFFFAOYSA-N 1 0 324.337 0.562 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420067709 240013903 /nfs/dbraw/zinc/01/39/03/240013903.db2.gz SVSWDKMEEFDUFF-LBPRGKRZSA-N 1 0 320.349 0.407 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000430550865 240396414 /nfs/dbraw/zinc/39/64/14/240396414.db2.gz GYRJOASXRWUPLD-VIFPVBQESA-N 1 0 322.321 0.685 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000479793385 241075962 /nfs/dbraw/zinc/07/59/62/241075962.db2.gz QIIBTFNKAXCQPR-ZKCHVHJHSA-N 1 0 301.324 0.371 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000489918126 241101581 /nfs/dbraw/zinc/10/15/81/241101581.db2.gz MHLDLOPTWXWCSE-SNVBAGLBSA-N 1 0 308.342 0.327 20 5 DCBDRO C[C@@H](O)[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569096929 291461396 /nfs/dbraw/zinc/46/13/96/291461396.db2.gz VPOPAPPKCLCEKU-NXEZZACHSA-N 1 0 302.352 0.727 20 5 DCBDRO COc1ncccc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569096982 291461448 /nfs/dbraw/zinc/46/14/48/291461448.db2.gz YCRGQICIGYJPOL-ZDUSSCGKSA-N 1 0 321.337 0.388 20 5 DCBDRO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC[NH+](C)C ZINC000094779969 193397075 /nfs/dbraw/zinc/39/70/75/193397075.db2.gz QTCQZJXRZVCDOL-UHFFFAOYSA-N 1 0 305.331 0.882 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000571402681 291512821 /nfs/dbraw/zinc/51/28/21/291512821.db2.gz WWZCBWZFGIOTCL-LBPRGKRZSA-N 1 0 323.305 0.181 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000571539998 291520243 /nfs/dbraw/zinc/52/02/43/291520243.db2.gz SLJZKOAOQNQCRI-PHIMTYICSA-N 1 0 320.349 0.420 20 5 DCBDRO CNC(=O)NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282512910 217053231 /nfs/dbraw/zinc/05/32/31/217053231.db2.gz SFLXYRPRKPOOIT-JTQLQIEISA-N 1 0 308.338 0.913 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000282811260 217266235 /nfs/dbraw/zinc/26/62/35/217266235.db2.gz PGSBUFPQVAXVIT-GFCCVEGCSA-N 1 0 320.349 0.547 20 5 DCBDRO COc1ccc(S(=O)(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000037714707 182919589 /nfs/dbraw/zinc/91/95/89/182919589.db2.gz RPNVJSVSZXUQMG-UHFFFAOYSA-N 1 0 303.340 0.621 20 5 DCBDRO [NH3+]CCC[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccccc1 ZINC000574392576 291691680 /nfs/dbraw/zinc/69/16/80/291691680.db2.gz ACZLXRXLDDAXHY-LBPRGKRZSA-N 1 0 318.337 0.783 20 5 DCBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000064311402 184293688 /nfs/dbraw/zinc/29/36/88/184293688.db2.gz LPUDRIUAWZXLDG-LLVKDONJSA-N 1 0 324.385 0.813 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000338959612 253015187 /nfs/dbraw/zinc/01/51/87/253015187.db2.gz FXVTUOLHHPDLMQ-SNVBAGLBSA-N 1 0 324.337 0.505 20 5 DCBDRO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000339693347 253128345 /nfs/dbraw/zinc/12/83/45/253128345.db2.gz DXSCIPUMUVZUCS-GFCCVEGCSA-N 1 0 307.350 0.974 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1([NH3+])CCC1 ZINC000342588653 253512657 /nfs/dbraw/zinc/51/26/57/253512657.db2.gz NATSCOBMFWBXMS-JTQLQIEISA-N 1 0 320.349 0.711 20 5 DCBDRO CC[N@H+](C)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000272892395 210280853 /nfs/dbraw/zinc/28/08/53/210280853.db2.gz JXGVEDGKSAGYDN-UHFFFAOYSA-N 1 0 302.356 0.606 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC(N)=O ZINC000286522259 219034902 /nfs/dbraw/zinc/03/49/02/219034902.db2.gz QUNDXRXSCCVLFI-UHFFFAOYSA-N 1 0 324.337 0.739 20 5 DCBDRO COc1ccc(NC(=O)CN2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000346106935 254010611 /nfs/dbraw/zinc/01/06/11/254010611.db2.gz YWALGFAVLHHBHB-JTQLQIEISA-N 1 0 308.338 0.965 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000347331667 254148828 /nfs/dbraw/zinc/14/88/28/254148828.db2.gz FUZMAWASOJNLRW-GHMZBOCLSA-N 1 0 324.385 0.777 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347304954 254146379 /nfs/dbraw/zinc/14/63/79/254146379.db2.gz POHUSHISHAYPPO-ZDUSSCGKSA-N 1 0 312.301 0.922 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000347625476 254173301 /nfs/dbraw/zinc/17/33/01/254173301.db2.gz QNJXENJCEUWTDN-DTWKUNHWSA-N 1 0 310.310 0.256 20 5 DCBDRO O=C(CCOC1C[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000349012354 254269302 /nfs/dbraw/zinc/26/93/02/254269302.db2.gz ZFDPVBOLMCUGAM-UHFFFAOYSA-N 1 0 305.334 0.858 20 5 DCBDRO [NH3+][C@@H]1CCc2ncc(NC(=O)Cn3ccc([N+](=O)[O-])n3)cc2C1 ZINC000349056355 254271538 /nfs/dbraw/zinc/27/15/38/254271538.db2.gz QCFLPTJZXQQBNN-SNVBAGLBSA-N 1 0 316.321 0.641 20 5 DCBDRO CC(C)(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000353384122 254453853 /nfs/dbraw/zinc/45/38/53/254453853.db2.gz KBSSGCIFJDXAOD-QWRGUYRKSA-N 1 0 307.354 0.594 20 5 DCBDRO C[NH+](C)CCC1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000353960793 254475258 /nfs/dbraw/zinc/47/52/58/254475258.db2.gz KTAHRNIZRATBEN-UHFFFAOYSA-N 1 0 310.358 0.377 20 5 DCBDRO C[C@@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294776507 533346603 /nfs/dbraw/zinc/34/66/03/533346603.db2.gz NMFYTFFBZFFLBS-SNVBAGLBSA-N 1 0 308.338 0.686 20 5 DCBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)[C@H]1CCNC1=O ZINC000340225297 131230864 /nfs/dbraw/zinc/23/08/64/131230864.db2.gz IXIJDRXWVOOTBU-CABZTGNLSA-N 1 0 306.322 0.742 20 5 DCBDRO C[C@@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)C[NH+](C)C ZINC000291845161 131604560 /nfs/dbraw/zinc/60/45/60/131604560.db2.gz MAEGHOUNSDVBDB-VIFPVBQESA-N 1 0 316.383 0.852 20 5 DCBDRO C[NH+](C)C(C)(C)CNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000023745336 395692606 /nfs/dbraw/zinc/69/26/06/395692606.db2.gz MTAJEAYKDMCTCJ-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000036278278 395722891 /nfs/dbraw/zinc/72/28/91/395722891.db2.gz JIXUBUMICBURSS-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042773484 395748578 /nfs/dbraw/zinc/74/85/78/395748578.db2.gz VCLIWPIFIWCCQB-UHFFFAOYSA-N 1 0 310.354 0.945 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000052093309 395859414 /nfs/dbraw/zinc/85/94/14/395859414.db2.gz WYLOODULZHWKLY-SSDOTTSWSA-N 1 0 305.743 0.888 20 5 DCBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000114194338 395832997 /nfs/dbraw/zinc/83/29/97/395832997.db2.gz JQCYWHPHPYDLFV-JTQLQIEISA-N 1 0 309.322 0.999 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCO)CC2)c2nonc21 ZINC000271310501 395856983 /nfs/dbraw/zinc/85/69/83/395856983.db2.gz IPMFDOAISWIDHR-UHFFFAOYSA-N 1 0 307.310 0.682 20 5 DCBDRO C[NH+]1CCN(CCCNC(=O)c2c(N)cccc2[N+](=O)[O-])CC1 ZINC000272482649 395894383 /nfs/dbraw/zinc/89/43/83/395894383.db2.gz QVDORDPNKUKXIJ-UHFFFAOYSA-N 1 0 321.381 0.544 20 5 DCBDRO C[C@@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000124002811 395899258 /nfs/dbraw/zinc/89/92/58/395899258.db2.gz SZWQHXVHMPUSJQ-BXUZGUMPSA-N 1 0 322.365 0.842 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCCN1CC[NH2+]CC1 ZINC000238108473 395922167 /nfs/dbraw/zinc/92/21/67/395922167.db2.gz FJDWKHBQHRMUTH-UHFFFAOYSA-N 1 0 306.366 0.549 20 5 DCBDRO NC(=O)[C@H](Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000273497600 395925343 /nfs/dbraw/zinc/92/53/43/395925343.db2.gz XUOYDNQEJJPQQI-ZDUSSCGKSA-N 1 0 303.322 0.478 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)C1 ZINC000132482680 395927348 /nfs/dbraw/zinc/92/73/48/395927348.db2.gz DIZALSCPFVUBMP-NSHDSACASA-N 1 0 301.306 0.954 20 5 DCBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000065910496 395998937 /nfs/dbraw/zinc/99/89/37/395998937.db2.gz FUTWHLVHVLXBJQ-UHFFFAOYSA-N 1 0 324.385 0.909 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000246888777 395960164 /nfs/dbraw/zinc/96/01/64/395960164.db2.gz VDOSRDVHAWEYHD-IACUBPJLSA-N 1 0 310.354 0.653 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000247019314 395964609 /nfs/dbraw/zinc/96/46/09/395964609.db2.gz OYLNKPSOHHEUAC-WCQYABFASA-N 1 0 320.353 0.755 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000274823109 395979012 /nfs/dbraw/zinc/97/90/12/395979012.db2.gz SUZJFMBNZSBRMP-LLVKDONJSA-N 1 0 309.322 0.550 20 5 DCBDRO CO[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261854517 396072634 /nfs/dbraw/zinc/07/26/34/396072634.db2.gz JSKIKQAKDDTDHC-QWHCGFSZSA-N 1 0 322.365 0.632 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261648921 396052635 /nfs/dbraw/zinc/05/26/35/396052635.db2.gz FLVABOQMOGDELH-OAHLLOKOSA-N 1 0 318.377 0.643 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000277159722 396052676 /nfs/dbraw/zinc/05/26/76/396052676.db2.gz QQWYMXLAOVIZMY-UHFFFAOYSA-N 1 0 323.349 0.790 20 5 DCBDRO O=C(CN1CCC[NH2+]CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261742351 396061170 /nfs/dbraw/zinc/06/11/70/396061170.db2.gz OBKJGQYUOFVLJI-UHFFFAOYSA-N 1 0 322.321 0.557 20 5 DCBDRO COC(=O)COc1ccc(CN2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000261764496 396063619 /nfs/dbraw/zinc/06/36/19/396063619.db2.gz DGZBIJBCMCNXMM-LLVKDONJSA-N 1 0 323.349 0.940 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000159168889 396065618 /nfs/dbraw/zinc/06/56/18/396065618.db2.gz CSFFPYQZVWMWJZ-UHFFFAOYSA-N 1 0 302.294 0.675 20 5 DCBDRO [NH3+]CC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000262030452 396091310 /nfs/dbraw/zinc/09/13/10/396091310.db2.gz XMBGDRPEMWJERH-UHFFFAOYSA-N 1 0 322.365 0.878 20 5 DCBDRO COC(=O)COc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000262047145 396093858 /nfs/dbraw/zinc/09/38/58/396093858.db2.gz PWNGMNHEBVCCFU-ZYHUDNBSSA-N 1 0 323.349 0.926 20 5 DCBDRO C[NH2+]CCC1CCN(C(=O)Cn2cc([N+](=O)[O-])nc2C)CC1 ZINC000262072477 396096414 /nfs/dbraw/zinc/09/64/14/396096414.db2.gz PIFHOFZFHNAVSG-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO COc1ccc(CNC(=O)C[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000262220656 396112123 /nfs/dbraw/zinc/11/21/23/396112123.db2.gz PBYIMIDHLYJAKS-NSHDSACASA-N 1 0 309.322 0.598 20 5 DCBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000177604030 396179505 /nfs/dbraw/zinc/17/95/05/396179505.db2.gz AJQISLFDVUVDTD-VXGBXAGGSA-N 1 0 322.365 0.746 20 5 DCBDRO C[C@@H]1SCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000075749086 396186514 /nfs/dbraw/zinc/18/65/14/396186514.db2.gz CZVSPKSRGVHIHU-NHCYSSNCSA-N 1 0 300.384 0.978 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000185091098 396316839 /nfs/dbraw/zinc/31/68/39/396316839.db2.gz CIIGJVOKEJWKTC-RYUDHWBXSA-N 1 0 310.310 0.459 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000269163640 396390834 /nfs/dbraw/zinc/39/08/34/396390834.db2.gz CBPFGIQYZSBHMA-ZYHUDNBSSA-N 1 0 309.370 0.994 20 5 DCBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)N1 ZINC000192659015 396434515 /nfs/dbraw/zinc/43/45/15/396434515.db2.gz OCMAJCRNNBFOJD-HNNXBMFYSA-N 1 0 318.333 0.811 20 5 DCBDRO Cc1c(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000269744170 396442027 /nfs/dbraw/zinc/44/20/27/396442027.db2.gz WWQBSBPWNMXQDI-CQSZACIVSA-N 1 0 320.393 0.808 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCN(C)C2)c([N+](=O)[O-])c1 ZINC000507309470 396496623 /nfs/dbraw/zinc/49/66/23/396496623.db2.gz CLVPKEDPJUHPBB-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000193412231 396450526 /nfs/dbraw/zinc/45/05/26/396450526.db2.gz BLPATOMWMAZVLK-VIFPVBQESA-N 1 0 306.322 0.910 20 5 DCBDRO CN(C)CC[N@H+](C)CCCN(C)c1ncc([N+](=O)[O-])c(N)n1 ZINC000289062212 396454235 /nfs/dbraw/zinc/45/42/35/396454235.db2.gz MYYPPUSCVFPKLA-UHFFFAOYSA-N 1 0 311.390 0.287 20 5 DCBDRO C[C@H]([NH3+])Cn1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594651990 396493526 /nfs/dbraw/zinc/49/35/26/396493526.db2.gz HMJFCKNZYIKIDF-VIFPVBQESA-N 1 0 319.325 0.855 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000581250244 396538454 /nfs/dbraw/zinc/53/84/54/396538454.db2.gz FEZUDUWKWLJVDN-UWVGGRQHSA-N 1 0 314.367 0.738 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCCNc2ccccn2)c1 ZINC000581483791 396558244 /nfs/dbraw/zinc/55/82/44/396558244.db2.gz HETYKFNPHGLYOR-ZDUSSCGKSA-N 1 0 320.353 0.639 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000295284770 396690153 /nfs/dbraw/zinc/69/01/53/396690153.db2.gz TZCIXTWZTOMDAD-GXSJLCMTSA-N 1 0 308.338 0.567 20 5 DCBDRO C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO[C@@H]1C1CC1 ZINC000563011748 396693222 /nfs/dbraw/zinc/69/32/22/396693222.db2.gz OTHBVJTXEKJEIM-RRFJBIMHSA-N 1 0 324.381 0.947 20 5 DCBDRO COC(=O)Cn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)nn1 ZINC000295559141 396700984 /nfs/dbraw/zinc/70/09/84/396700984.db2.gz ZANAQXGBWYVQGX-UHFFFAOYSA-N 1 0 319.321 0.692 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000595983012 396702602 /nfs/dbraw/zinc/70/26/02/396702602.db2.gz MNJHRLNACXUQJE-ZJUUUORDSA-N 1 0 324.337 0.517 20 5 DCBDRO CN1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596063931 396713044 /nfs/dbraw/zinc/71/30/44/396713044.db2.gz ZPWUFUVAWADOPJ-UHFFFAOYSA-N 1 0 321.381 0.743 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCOCCF)cc1 ZINC000596070874 396714088 /nfs/dbraw/zinc/71/40/88/396714088.db2.gz UGJDMLNEARNETL-UHFFFAOYSA-N 1 0 320.342 0.944 20 5 DCBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000589583206 396718595 /nfs/dbraw/zinc/71/85/95/396718595.db2.gz RBMIWWTUHKLCQP-WPRPVWTQSA-N 1 0 309.326 0.220 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000304309265 396730357 /nfs/dbraw/zinc/73/03/57/396730357.db2.gz JWAZYNPMLQMEAR-RDBSUJKOSA-N 1 0 310.354 0.796 20 5 DCBDRO O=C(COc1ccccc1[N+](=O)[O-])N[C@@H](CO)C[NH+]1CCCC1 ZINC000590371723 396764418 /nfs/dbraw/zinc/76/44/18/396764418.db2.gz DMXLZIQEZVXCAQ-GFCCVEGCSA-N 1 0 323.349 0.547 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)CC[NH3+] ZINC000313041773 396768012 /nfs/dbraw/zinc/76/80/12/396768012.db2.gz RLMJPWYXSZWQHR-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO Cc1nn(C)c(C)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000316712207 396797817 /nfs/dbraw/zinc/79/78/17/396797817.db2.gz KHMCFIRIKCUZBR-LBPRGKRZSA-N 1 0 308.342 0.292 20 5 DCBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000610885601 396776450 /nfs/dbraw/zinc/77/64/50/396776450.db2.gz GCXPTIPUJCZHPU-GFCCVEGCSA-N 1 0 324.385 0.963 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000564841610 396880412 /nfs/dbraw/zinc/88/04/12/396880412.db2.gz SDEJXBSAVPLMKE-NSHDSACASA-N 1 0 309.322 0.712 20 5 DCBDRO C[NH2+]CCCN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000591452243 396922011 /nfs/dbraw/zinc/92/20/11/396922011.db2.gz ZQPRXICRBIAGHD-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000600808150 396946731 /nfs/dbraw/zinc/94/67/31/396946731.db2.gz KMCAQPPGOOFSEF-JTQLQIEISA-N 1 0 309.322 0.400 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600809501 396947698 /nfs/dbraw/zinc/94/76/98/396947698.db2.gz ZTOZNSFJPGHMKH-NSHDSACASA-N 1 0 323.349 0.790 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000597619642 397034462 /nfs/dbraw/zinc/03/44/62/397034462.db2.gz JPQCWQLJTWNXSU-NSHDSACASA-N 1 0 323.353 0.645 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1C ZINC000601345801 397069853 /nfs/dbraw/zinc/06/98/53/397069853.db2.gz HBPZDXPTKVDDPQ-JQWIXIFHSA-N 1 0 311.363 0.946 20 5 DCBDRO Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(C)c1[N+](=O)[O-] ZINC000601345560 397070093 /nfs/dbraw/zinc/07/00/93/397070093.db2.gz COONIMGUXAJSAU-QWRGUYRKSA-N 1 0 311.363 0.946 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597653790 397046357 /nfs/dbraw/zinc/04/63/57/397046357.db2.gz MJMYOCCOADRUDN-JTQLQIEISA-N 1 0 307.306 0.993 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000572381813 397053936 /nfs/dbraw/zinc/05/39/36/397053936.db2.gz FTMVNRVSYYDCHG-LBPRGKRZSA-N 1 0 308.338 0.311 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592306625 397148465 /nfs/dbraw/zinc/14/84/65/397148465.db2.gz CYSJWMKGCXSOQP-ONGXEEELSA-N 1 0 311.342 0.064 20 5 DCBDRO COc1ccc(CC(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000592342311 397156052 /nfs/dbraw/zinc/15/60/52/397156052.db2.gz XOHDCSSAPOXAKR-GFCCVEGCSA-N 1 0 323.349 0.641 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC[C@H](C)[NH3+] ZINC000592366548 397160532 /nfs/dbraw/zinc/16/05/32/397160532.db2.gz ACRNZVWKFHNTFG-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])n1 ZINC000592367232 397161206 /nfs/dbraw/zinc/16/12/06/397161206.db2.gz MORWKFPKQMDNGA-SECBINFHSA-N 1 0 317.371 0.232 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000592372588 397163198 /nfs/dbraw/zinc/16/31/98/397163198.db2.gz AGLKEYVFPFEXBG-VIFPVBQESA-N 1 0 315.351 0.619 20 5 DCBDRO CCN1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000573676559 397193752 /nfs/dbraw/zinc/19/37/52/397193752.db2.gz GJUJOLLCFOHOER-RYUDHWBXSA-N 1 0 323.349 0.545 20 5 DCBDRO CC(C)([NH3+])CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598663678 397270233 /nfs/dbraw/zinc/27/02/33/397270233.db2.gz FXMBNXDZIQGJLL-UHFFFAOYSA-N 1 0 309.326 0.570 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598664325 397271101 /nfs/dbraw/zinc/27/11/01/397271101.db2.gz FBWGKXIAECWUSB-SECBINFHSA-N 1 0 309.326 0.570 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000384152765 397280144 /nfs/dbraw/zinc/28/01/44/397280144.db2.gz PWJZOXVAJOYDLY-JQWIXIFHSA-N 1 0 300.384 0.885 20 5 DCBDRO COc1ccccc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000386757148 397289368 /nfs/dbraw/zinc/28/93/68/397289368.db2.gz FTNZVYQFHIRUOG-CYBMUJFWSA-N 1 0 306.322 0.951 20 5 DCBDRO [NH3+][C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598913275 397306884 /nfs/dbraw/zinc/30/68/84/397306884.db2.gz HQSUQASPLBDELR-VXGBXAGGSA-N 1 0 318.333 0.919 20 5 DCBDRO O=[N+]([O-])c1cc2c(ncnc2N2CC([N@@H+]3CC[C@@H](O)C3)C2)s1 ZINC000593505192 397376971 /nfs/dbraw/zinc/37/69/71/397376971.db2.gz UNFYPRUUXRWLKY-SECBINFHSA-N 1 0 321.362 0.855 20 5 DCBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000599007585 397322416 /nfs/dbraw/zinc/32/24/16/397322416.db2.gz QRELEMFTLDFKPI-LBPRGKRZSA-N 1 0 324.385 0.822 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368104103 397414656 /nfs/dbraw/zinc/41/46/56/397414656.db2.gz AYLNTWMNWVHYGI-QWHCGFSZSA-N 1 0 307.354 0.543 20 5 DCBDRO C[NH+](C)CC[C@@H](N)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000593904309 397473065 /nfs/dbraw/zinc/47/30/65/397473065.db2.gz UVKUXOFGHJXORG-CYBMUJFWSA-N 1 0 310.354 0.369 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000593904566 397473134 /nfs/dbraw/zinc/47/31/34/397473134.db2.gz ZLQNPRAUJAXTPO-GFCCVEGCSA-N 1 0 310.354 0.499 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)COc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000599988835 397557770 /nfs/dbraw/zinc/55/77/70/397557770.db2.gz OHKBILNKVKADFN-NHAGDIPZSA-N 1 0 305.334 0.992 20 5 DCBDRO O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000579673322 397587131 /nfs/dbraw/zinc/58/71/31/397587131.db2.gz GDUHPMHSKJGXAW-PELKAZGASA-N 1 0 301.306 0.905 20 5 DCBDRO O=[N+]([O-])c1ccccc1Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000603187257 397581484 /nfs/dbraw/zinc/58/14/84/397581484.db2.gz PMRFDSLEUPVMBN-UHFFFAOYSA-N 1 0 302.338 0.640 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599778497 397525507 /nfs/dbraw/zinc/52/55/07/397525507.db2.gz FXQFXRICYBORJM-LLVKDONJSA-N 1 0 324.337 0.792 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1COCC[NH2+]1 ZINC000599920428 397540828 /nfs/dbraw/zinc/54/08/28/397540828.db2.gz JUCSXZQAUOAIDG-LBPRGKRZSA-N 1 0 308.338 0.425 20 5 DCBDRO Cn1c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1[N+](=O)[O-] ZINC000599938621 397546092 /nfs/dbraw/zinc/54/60/92/397546092.db2.gz QXIWQUQSVFRUEE-QWRGUYRKSA-N 1 0 308.338 0.214 20 5 DCBDRO CC1(C)CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000579698008 397588354 /nfs/dbraw/zinc/58/83/54/397588354.db2.gz PKMDDLGLDDTCFL-UHFFFAOYSA-N 1 0 320.349 0.421 20 5 DCBDRO COc1cc([N+](=O)[O-])cn(CCCN2CC[NH+](C)CC2)c1=O ZINC000603358981 397601000 /nfs/dbraw/zinc/60/10/00/397601000.db2.gz LAIOFICZDMFVCV-UHFFFAOYSA-N 1 0 310.354 0.403 20 5 DCBDRO CC[NH+](CC)CC(=O)N1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000609143699 397762439 /nfs/dbraw/zinc/76/24/39/397762439.db2.gz NZDYNWIQAWMCPP-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000609571095 397782607 /nfs/dbraw/zinc/78/26/07/397782607.db2.gz YJCMSFHPTMZFLT-NSHDSACASA-N 1 0 308.386 0.909 20 5 DCBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](CCO)CC2)cc1 ZINC000055897529 158022616 /nfs/dbraw/zinc/02/26/16/158022616.db2.gz GQBZRUFKFBQMIU-UHFFFAOYSA-N 1 0 309.366 0.974 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NCCN1CC[NH2+]CC1 ZINC000125774452 158259055 /nfs/dbraw/zinc/25/90/55/158259055.db2.gz MYCOPNLRRVJCOE-UHFFFAOYSA-N 1 0 322.365 0.385 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-] ZINC000132933085 158315758 /nfs/dbraw/zinc/31/57/58/158315758.db2.gz WBRQHWWRBGMILR-AWEZNQCLSA-N 1 0 321.337 0.556 20 5 DCBDRO C[NH2+]CCN(C)C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000263239722 158865093 /nfs/dbraw/zinc/86/50/93/158865093.db2.gz KVINSKQPDINGNK-UHFFFAOYSA-N 1 0 315.351 0.290 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000323071824 159012634 /nfs/dbraw/zinc/01/26/34/159012634.db2.gz ONDBGLYCFMFMQU-GXSJLCMTSA-N 1 0 321.337 0.165 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC[C@@H]21 ZINC000408350115 160089869 /nfs/dbraw/zinc/08/98/69/160089869.db2.gz XYBLTODZLJDTKB-MNOVXSKESA-N 1 0 308.342 0.129 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH2+]CC1 ZINC000353091381 286933496 /nfs/dbraw/zinc/93/34/96/286933496.db2.gz VUSHDWJWWKUIFD-SNVBAGLBSA-N 1 0 310.358 0.259 20 5 DCBDRO CN1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000132837541 287007012 /nfs/dbraw/zinc/00/70/12/287007012.db2.gz QXZYSPIYCYXSDS-GFCCVEGCSA-N 1 0 312.757 0.963 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000419046002 287263659 /nfs/dbraw/zinc/26/36/59/287263659.db2.gz XBQXBLIEUADUJS-LLVKDONJSA-N 1 0 320.349 0.074 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000419146866 287268056 /nfs/dbraw/zinc/26/80/56/287268056.db2.gz IRRFZQMCSQPIPD-SNVBAGLBSA-N 1 0 306.322 0.204 20 5 DCBDRO [NH3+]CCN(CCO)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000342415754 415168497 /nfs/dbraw/zinc/16/84/97/415168497.db2.gz MCHILZAXFIMVCH-UHFFFAOYSA-N 1 0 307.310 0.398 20 5 DCBDRO CN1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000331679708 415185074 /nfs/dbraw/zinc/18/50/74/415185074.db2.gz VXAHFHONRWYMJX-YDHLFZDLSA-N 1 0 323.397 0.931 20 5 DCBDRO [NH3+][C@H]1CCCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269107462 415249273 /nfs/dbraw/zinc/24/92/73/415249273.db2.gz GEBSNDXIHFZPHP-VIFPVBQESA-N 1 0 307.306 0.929 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000332154975 415272528 /nfs/dbraw/zinc/27/25/28/415272528.db2.gz RFNVYMDZQZEUNG-LLVKDONJSA-N 1 0 308.342 0.273 20 5 DCBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[N@@H+]1CCO ZINC000332239006 415306610 /nfs/dbraw/zinc/30/66/10/415306610.db2.gz OTJYPKIYHBFZRY-NSHDSACASA-N 1 0 319.365 0.970 20 5 DCBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352814854 415332595 /nfs/dbraw/zinc/33/25/95/415332595.db2.gz KCMQXOMBSNCVKQ-IPYPFGDCSA-N 1 0 323.397 0.711 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288535041 415682331 /nfs/dbraw/zinc/68/23/31/415682331.db2.gz ONOPXIDGTATDQZ-NSHDSACASA-N 1 0 322.365 0.754 20 5 DCBDRO CN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121112640 415794612 /nfs/dbraw/zinc/79/46/12/415794612.db2.gz QQQCDPWZIJMLOF-UHFFFAOYSA-N 1 0 308.338 0.943 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000344478123 415925844 /nfs/dbraw/zinc/92/58/44/415925844.db2.gz WRJVFUMICIGINU-LLVKDONJSA-N 1 0 309.370 0.679 20 5 DCBDRO C[C@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+](C2CCC2)C1 ZINC000344693344 415972368 /nfs/dbraw/zinc/97/23/68/415972368.db2.gz JDOAECYZOFEQBC-LLVKDONJSA-N 1 0 322.369 0.519 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCC1 ZINC000337598884 415982698 /nfs/dbraw/zinc/98/26/98/415982698.db2.gz QNXFTVHIQRTWOQ-UHFFFAOYSA-N 1 0 320.349 0.537 20 5 DCBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000301347623 416080883 /nfs/dbraw/zinc/08/08/83/416080883.db2.gz HUTLZJOYADZDHY-SECBINFHSA-N 1 0 316.383 0.994 20 5 DCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000345967333 416176896 /nfs/dbraw/zinc/17/68/96/416176896.db2.gz SAVVFXMKRWJVOR-NWDGAFQWSA-N 1 0 322.365 0.698 20 5 DCBDRO COc1ccc(OCCN2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358125402 416196311 /nfs/dbraw/zinc/19/63/11/416196311.db2.gz MFIPBUSGEWLACZ-LBPRGKRZSA-N 1 0 311.338 0.642 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c([N+](=O)[O-])c(C)nn2C)C1 ZINC000330636260 416219349 /nfs/dbraw/zinc/21/93/49/416219349.db2.gz FCGHJGIKXKUOIS-SNVBAGLBSA-N 1 0 311.342 0.087 20 5 DCBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC[N@@H+]1C[C@H](C)O ZINC000330678035 416228796 /nfs/dbraw/zinc/22/87/96/416228796.db2.gz BXFNGARDHVRUGA-QWRGUYRKSA-N 1 0 310.354 0.840 20 5 DCBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000248577556 416333578 /nfs/dbraw/zinc/33/35/78/416333578.db2.gz DWIBEWROOSJZMA-OUAUKWLOSA-N 1 0 311.363 0.953 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000415414584 416341808 /nfs/dbraw/zinc/34/18/08/416341808.db2.gz FYWBAQDXUIXCCF-SECBINFHSA-N 1 0 324.337 0.738 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000415415217 416342497 /nfs/dbraw/zinc/34/24/97/416342497.db2.gz HOKATXWBJMLLFD-SECBINFHSA-N 1 0 308.338 0.901 20 5 DCBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415465911 416344623 /nfs/dbraw/zinc/34/46/23/416344623.db2.gz SVXJQXAPOOWKKD-PELKAZGASA-N 1 0 324.312 0.916 20 5 DCBDRO Cc1c(CNC(=O)NC[C@]2(O)CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000359553206 416350274 /nfs/dbraw/zinc/35/02/74/416350274.db2.gz RGKFEHKFIKXXTE-OAHLLOKOSA-N 1 0 322.365 0.769 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000415659291 416350393 /nfs/dbraw/zinc/35/03/93/416350393.db2.gz VZMDCLUSRQSCHA-ZJUUUORDSA-N 1 0 306.322 0.919 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415652181 416350447 /nfs/dbraw/zinc/35/04/47/416350447.db2.gz CVZMCEBOUUDGEV-SNVBAGLBSA-N 1 0 308.338 0.956 20 5 DCBDRO CCn1c(CC[NH3+])nnc1Sc1ncc([N+](=O)[O-])c(N)n1 ZINC000359772175 416357899 /nfs/dbraw/zinc/35/78/99/416357899.db2.gz ZKXMAKPZKIPGHW-UHFFFAOYSA-N 1 0 310.343 0.231 20 5 DCBDRO O=C(C[NH2+][C@H](CO)C1CCOCC1)Nc1ccccc1[N+](=O)[O-] ZINC000359875744 416363810 /nfs/dbraw/zinc/36/38/10/416363810.db2.gz NWBAECFOOQBGOJ-CYBMUJFWSA-N 1 0 323.349 0.910 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@H]3C[NH2+]C[C@H]3O)n2)cc1 ZINC000420259541 416417714 /nfs/dbraw/zinc/41/77/14/416417714.db2.gz YUJYMTFYVZMFEI-MWLCHTKSSA-N 1 0 305.294 0.637 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])CC[NH2+]1 ZINC000419036358 416395902 /nfs/dbraw/zinc/39/59/02/416395902.db2.gz GHZCFTKXIYMALX-LLVKDONJSA-N 1 0 320.349 0.074 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000423104826 416468179 /nfs/dbraw/zinc/46/81/79/416468179.db2.gz QDBVBQBJSRPUFB-GFCCVEGCSA-N 1 0 320.349 0.374 20 5 DCBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000532677771 416449544 /nfs/dbraw/zinc/44/95/44/416449544.db2.gz RTZBGQYBDNWXMO-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1[nH]ncc1[N+](=O)[O-] ZINC000423668999 416535780 /nfs/dbraw/zinc/53/57/80/416535780.db2.gz KVDVOLBEPMEUQD-LLVKDONJSA-N 1 0 301.306 0.935 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000423694468 416541437 /nfs/dbraw/zinc/54/14/37/416541437.db2.gz AZXTYRMXSMMRFK-NSHDSACASA-N 1 0 322.365 0.627 20 5 DCBDRO Nc1nccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000594236401 416558865 /nfs/dbraw/zinc/55/88/65/416558865.db2.gz NVNIUWZNYFMLBE-VHSXEESVSA-N 1 0 305.338 0.929 20 5 DCBDRO CC1(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C[NH2+]C1 ZINC000423417997 416506971 /nfs/dbraw/zinc/50/69/71/416506971.db2.gz TXWBMDPGFNGCRM-JTQLQIEISA-N 1 0 305.338 0.612 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000584359492 416513547 /nfs/dbraw/zinc/51/35/47/416513547.db2.gz DTIHNWZZNWMTFZ-NXEZZACHSA-N 1 0 319.365 1.387 20 5 DCBDRO CNc1nccc(C(=O)NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000597588407 416596251 /nfs/dbraw/zinc/59/62/51/416596251.db2.gz JTCMQSXOJJWKEM-UHFFFAOYSA-N 1 0 319.365 1.390 20 5 DCBDRO [NH3+][C@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000423904018 416585463 /nfs/dbraw/zinc/58/54/63/416585463.db2.gz NRMLKPGQBPGWGM-CYBMUJFWSA-N 1 0 303.322 0.998 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000366448461 416626015 /nfs/dbraw/zinc/62/60/15/416626015.db2.gz VBMQHXKFAHDCRH-SPWCGHHHSA-N 1 0 308.334 0.505 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000514597553 416664109 /nfs/dbraw/zinc/66/41/09/416664109.db2.gz XMZIERAERVPFJL-ZETCQYMHSA-N 1 0 309.248 0.496 20 5 DCBDRO CNC(=O)C[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000515055736 416689159 /nfs/dbraw/zinc/68/91/59/416689159.db2.gz ZPEWACNPKNHQHO-JQWIXIFHSA-N 1 0 311.338 0.449 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCc2cn[nH]c2)c1 ZINC000517125769 416778555 /nfs/dbraw/zinc/77/85/55/416778555.db2.gz ATXACWSJCUTHCA-CYBMUJFWSA-N 1 0 306.322 0.890 20 5 DCBDRO O=C(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)N1CCCC1 ZINC000559292617 416810795 /nfs/dbraw/zinc/81/07/95/416810795.db2.gz GQYBRJHANSHTMS-CYBMUJFWSA-N 1 0 323.349 0.547 20 5 DCBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])C1 ZINC000563374689 416878350 /nfs/dbraw/zinc/87/83/50/416878350.db2.gz QZQYAEMRBAFNGG-LLVKDONJSA-N 1 0 321.381 1.493 20 5 DCBDRO C[NH+](C)CC1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000561258758 416858443 /nfs/dbraw/zinc/85/84/43/416858443.db2.gz DVIFBNLECMGOEY-UHFFFAOYSA-N 1 0 307.354 0.986 20 5 DCBDRO O=C(C[C@H]1C[NH2+]CCO1)NCCNc1ccccc1[N+](=O)[O-] ZINC000429776890 416997535 /nfs/dbraw/zinc/99/75/35/416997535.db2.gz UYBFPVNMSCCVJI-NSHDSACASA-N 1 0 308.338 0.501 20 5 DCBDRO [NH3+][C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430613560 417050618 /nfs/dbraw/zinc/05/06/18/417050618.db2.gz WSCOWOMDKUUDSE-QMMMGPOBSA-N 1 0 308.294 0.295 20 5 DCBDRO CCn1cc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000524717493 417113988 /nfs/dbraw/zinc/11/39/88/417113988.db2.gz NCFSJTUOKGCPAE-CYBMUJFWSA-N 1 0 308.342 0.501 20 5 DCBDRO CCn1cc(C[N@H+](C)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000524717494 417114261 /nfs/dbraw/zinc/11/42/61/417114261.db2.gz NCFSJTUOKGCPAE-ZDUSSCGKSA-N 1 0 308.342 0.501 20 5 DCBDRO O=C1NC(=O)[C@@H]2C[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@H]12 ZINC000449522517 417149147 /nfs/dbraw/zinc/14/91/47/417149147.db2.gz LFIXRFFVXWOBIU-BFJGBIGKSA-N 1 0 301.302 0.812 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000449583908 417150985 /nfs/dbraw/zinc/15/09/85/417150985.db2.gz BXPLONCZBNXVIH-UWVGGRQHSA-N 1 0 323.353 0.246 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000449697582 417167672 /nfs/dbraw/zinc/16/76/72/417167672.db2.gz MBNFPAHOKITUMR-LBPRGKRZSA-N 1 0 324.406 0.707 20 5 DCBDRO Cn1cc(CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)cn1 ZINC000570794207 417392430 /nfs/dbraw/zinc/39/24/30/417392430.db2.gz AFIHUDWHNWLFMZ-AWEZNQCLSA-N 1 0 320.349 0.900 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415336807 417367436 /nfs/dbraw/zinc/36/74/36/417367436.db2.gz RPFVCGVBFNASJF-JTQLQIEISA-N 1 0 306.322 0.574 20 5 DCBDRO CC1(C)C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@@H]21 ZINC000452111722 417453138 /nfs/dbraw/zinc/45/31/38/417453138.db2.gz VNFRUQUIFKBJAX-FRRDWIJNSA-N 1 0 310.354 0.509 20 5 DCBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000572854685 417462107 /nfs/dbraw/zinc/46/21/07/417462107.db2.gz KDVNYOWKTMBPNG-CQSZACIVSA-N 1 0 305.338 0.740 20 5 DCBDRO CC[N@@H+]1CCCN(C(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000575135790 417514864 /nfs/dbraw/zinc/51/48/64/417514864.db2.gz LVCXEZIVEPMBAC-UHFFFAOYSA-N 1 0 307.354 1.199 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000576636680 417625729 /nfs/dbraw/zinc/62/57/29/417625729.db2.gz MRCQYTCKYCRWRX-YUMQZZPRSA-N 1 0 305.360 0.215 20 5 DCBDRO CNc1nc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000456164830 417628221 /nfs/dbraw/zinc/62/82/21/417628221.db2.gz KPNTUQAOXDQSGV-JOYOIKCWSA-N 1 0 305.338 0.808 20 5 DCBDRO CC(C)(C[NH3+])C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000236599753 261155134 /nfs/dbraw/zinc/15/51/34/261155134.db2.gz GSDUTFUPGHBSPW-JTQLQIEISA-N 1 0 307.354 0.988 20 5 DCBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@H]1C ZINC000354421204 261217484 /nfs/dbraw/zinc/21/74/84/261217484.db2.gz FFZXSRDNIZCHBE-MNOVXSKESA-N 1 0 310.358 0.518 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354439128 261219135 /nfs/dbraw/zinc/21/91/35/261219135.db2.gz FOZQJJRSKUSRLN-NWDGAFQWSA-N 1 0 320.349 0.500 20 5 DCBDRO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccccc1[N+](=O)[O-] ZINC000354667522 261253989 /nfs/dbraw/zinc/25/39/89/261253989.db2.gz GYIAHRKWBVTZCU-LBPRGKRZSA-N 1 0 320.349 0.469 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000354944043 261290280 /nfs/dbraw/zinc/29/02/80/261290280.db2.gz USUMIXFMTCTTBV-SNVBAGLBSA-N 1 0 323.353 0.240 20 5 DCBDRO C[C@H](O)C[N@H+](C)C1CCN(Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355934546 261376892 /nfs/dbraw/zinc/37/68/92/261376892.db2.gz SOFTUAQHHZRPAD-NSHDSACASA-N 1 0 311.386 0.605 20 5 DCBDRO COCC[NH2+]CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000417238684 262248465 /nfs/dbraw/zinc/24/84/65/262248465.db2.gz YTAALPMRGADEOP-UHFFFAOYSA-N 1 0 310.354 0.673 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCO1 ZINC000417771402 262261351 /nfs/dbraw/zinc/26/13/51/262261351.db2.gz VAZHFXDHVCFLAB-ZDUSSCGKSA-N 1 0 322.365 0.897 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418762340 262288041 /nfs/dbraw/zinc/28/80/41/262288041.db2.gz LVERGXYFWMZRGR-ZDUSSCGKSA-N 1 0 321.381 0.640 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418775830 262289191 /nfs/dbraw/zinc/28/91/91/262289191.db2.gz FDVLPUKMKNCIKB-ONGXEEELSA-N 1 0 306.322 0.332 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418788044 262290224 /nfs/dbraw/zinc/29/02/24/262290224.db2.gz VAHLENRSGNNGGC-JQWIXIFHSA-N 1 0 320.349 0.640 20 5 DCBDRO [NH3+][C@H]1CCCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418876326 262294843 /nfs/dbraw/zinc/29/48/43/262294843.db2.gz YQAHDJHVRJKSIL-LBPRGKRZSA-N 1 0 320.349 0.203 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418924034 262298831 /nfs/dbraw/zinc/29/88/31/262298831.db2.gz OHMJXYMHVVLQRQ-GFCCVEGCSA-N 1 0 320.349 0.122 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000418932955 262299728 /nfs/dbraw/zinc/29/97/28/262299728.db2.gz IEFQFUFGDCFOFL-VIFPVBQESA-N 1 0 324.337 0.025 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000419157764 262314733 /nfs/dbraw/zinc/31/47/33/262314733.db2.gz WPYSFYDKZCWLMG-MNOVXSKESA-N 1 0 320.349 0.592 20 5 DCBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCO[C@H](C[NH3+])C1 ZINC000420393751 262373162 /nfs/dbraw/zinc/37/31/62/262373162.db2.gz QYDAZZDQOHLVMQ-SMDDNHRTSA-N 1 0 322.365 0.971 20 5 DCBDRO CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000422941433 262424041 /nfs/dbraw/zinc/42/40/41/262424041.db2.gz IEZUMFHHMASSCH-BXUZGUMPSA-N 1 0 323.349 0.987 20 5 DCBDRO [NH3+]CCOCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000357105311 271043245 /nfs/dbraw/zinc/04/32/45/271043245.db2.gz NVJMRIZWNIFWKR-UHFFFAOYSA-N 1 0 322.365 0.328 20 5 DCBDRO Cn1c(C(=O)Nc2ccnn2CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000359499770 271121887 /nfs/dbraw/zinc/12/18/87/271121887.db2.gz DYNTUAXKBKFRLK-UHFFFAOYSA-N 1 0 306.326 0.944 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415433854 271238710 /nfs/dbraw/zinc/23/87/10/271238710.db2.gz MRVQJBDZCZFLRO-SNVBAGLBSA-N 1 0 306.322 0.662 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420042131 271355085 /nfs/dbraw/zinc/35/50/85/271355085.db2.gz DHPFNBVEGVQSLB-UHFFFAOYSA-N 1 0 308.338 0.407 20 5 DCBDRO CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000516276916 272433538 /nfs/dbraw/zinc/43/35/38/272433538.db2.gz QHRGZQLGIUUFMM-OLZOCXBDSA-N 1 0 323.349 0.545 20 5 DCBDRO C[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000151236989 277272186 /nfs/dbraw/zinc/27/21/86/277272186.db2.gz AICLDNJEPDMLQD-VIFPVBQESA-N 1 0 310.310 0.128 20 5 DCBDRO COCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285430595 277494738 /nfs/dbraw/zinc/49/47/38/277494738.db2.gz WMLUPZKPHALDHC-UHFFFAOYSA-N 1 0 311.342 0.549 20 5 DCBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000423691270 278535965 /nfs/dbraw/zinc/53/59/65/278535965.db2.gz YYTMMSICWFZLGE-ONGXEEELSA-N 1 0 321.333 0.857 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)c2c[nH]c3cccc([N+](=O)[O-])c32)C[C@@H]1O ZINC000564583628 288751793 /nfs/dbraw/zinc/75/17/93/288751793.db2.gz DYAZGDCBGQPJLN-STQMWFEESA-N 1 0 318.333 0.823 20 5 DCBDRO CN1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000564724202 288762356 /nfs/dbraw/zinc/76/23/56/288762356.db2.gz ZAHFZSIOZIEBLM-WDEREUQCSA-N 1 0 309.322 0.155 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000570927493 332842629 /nfs/dbraw/zinc/84/26/29/332842629.db2.gz CURVCCQQORSECC-SNVBAGLBSA-N 1 0 314.367 0.800 20 5 DCBDRO CCn1cc([C@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000583020351 337225817 /nfs/dbraw/zinc/22/58/17/337225817.db2.gz WBMPGPJKXOIJIL-GXFFZTMASA-N 1 0 308.342 0.719 20 5 DCBDRO C[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000415853594 533930115 /nfs/dbraw/zinc/93/01/15/533930115.db2.gz UKHMWUQAEIAALR-MNOVXSKESA-N 1 0 320.349 0.977 20 5 DCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH+](C)CC1 ZINC000129644261 524460242 /nfs/dbraw/zinc/46/02/42/524460242.db2.gz RZCKBVNISZFJTE-SNVBAGLBSA-N 1 0 323.353 0.061 20 5 DCBDRO C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000161587429 524816748 /nfs/dbraw/zinc/81/67/48/524816748.db2.gz AJTPHSGLVGFWPM-JTQLQIEISA-N 1 0 306.322 0.226 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000237417557 524857267 /nfs/dbraw/zinc/85/72/67/524857267.db2.gz UKVYWGAQICTHHV-QWRGUYRKSA-N 1 0 308.338 0.342 20 5 DCBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000237333376 526080451 /nfs/dbraw/zinc/08/04/51/526080451.db2.gz SNHOAYXEUFUNHU-UHFFFAOYSA-N 1 0 324.406 0.952 20 5 DCBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000237919248 527210933 /nfs/dbraw/zinc/21/09/33/527210933.db2.gz PLAWVIFXOPHZOY-CMPLNLGQSA-N 1 0 308.338 0.390 20 5 DCBDRO C[NH+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736757952 598828530 /nfs/dbraw/zinc/82/85/30/598828530.db2.gz AOAGBIPDJRUVAG-VIFPVBQESA-N 1 0 318.341 0.558 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000825856588 607737675 /nfs/dbraw/zinc/73/76/75/607737675.db2.gz XVSALZCUXPJNBN-CYBMUJFWSA-N 1 0 321.341 0.499 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)C(F)F)C1 ZINC001021757852 658353348 /nfs/dbraw/zinc/35/33/48/658353348.db2.gz CUKUCEPYOLECCX-KNVOCYPGSA-N 1 0 303.269 0.330 20 5 DCBDRO COCCN(C)CN1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000726586454 661661785 /nfs/dbraw/zinc/66/17/85/661661785.db2.gz JNDBSMVBKZTXRU-UHFFFAOYSA-N 1 0 322.321 0.899 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841174017 661745627 /nfs/dbraw/zinc/74/56/27/661745627.db2.gz QPWURMHQVWCOFF-ZETCQYMHSA-N 1 0 314.729 0.992 20 5 DCBDRO CNC(=O)c1ccc(N2CC[C@@](O)(C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000895009193 662042734 /nfs/dbraw/zinc/04/27/34/662042734.db2.gz UEGJEYRLMXQFHE-OAHLLOKOSA-N 1 0 322.365 0.457 20 5 DCBDRO C[C@@H]1[C@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738679 662211747 /nfs/dbraw/zinc/21/17/47/662211747.db2.gz YALYMNYAXLHRPA-GHMZBOCLSA-N 1 0 322.369 0.726 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896580771 662295267 /nfs/dbraw/zinc/29/52/67/662295267.db2.gz NJEXUALYNYZXST-BXUZGUMPSA-N 1 0 306.366 0.959 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000899736536 663184583 /nfs/dbraw/zinc/18/45/83/663184583.db2.gz JDOHJTKXSDJGIL-UHFFFAOYSA-N 1 0 301.730 0.902 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000903875473 663491539 /nfs/dbraw/zinc/49/15/39/663491539.db2.gz GPZUSDKCUDQSDQ-CQSZACIVSA-N 1 0 322.365 0.478 20 5 DCBDRO CC1(C)CCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000905678059 663574677 /nfs/dbraw/zinc/57/46/77/663574677.db2.gz IGGJOTOQZKNORW-CYBMUJFWSA-N 1 0 311.386 0.474 20 5 DCBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000912256080 664154770 /nfs/dbraw/zinc/15/47/70/664154770.db2.gz QWJJWUYJOIQIPH-DOMZBBRYSA-N 1 0 305.334 0.837 20 5 DCBDRO O=C(C[NH+]1CCCC1)NC1CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001031389199 665130730 /nfs/dbraw/zinc/13/07/30/665130730.db2.gz GDABVNQIAUKKPI-UHFFFAOYSA-N 1 0 318.377 0.991 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000861542074 666941949 /nfs/dbraw/zinc/94/19/49/666941949.db2.gz LNKPXFAKYOAXKH-QMMMGPOBSA-N 1 0 310.310 0.348 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861544465 666942804 /nfs/dbraw/zinc/94/28/04/666942804.db2.gz NALZXYDLBBUWOK-SECBINFHSA-N 1 0 308.338 0.901 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000861772640 666977148 /nfs/dbraw/zinc/97/71/48/666977148.db2.gz ZEPIYUJMWGZNRH-SECBINFHSA-N 1 0 308.338 0.325 20 5 DCBDRO NC(=O)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000996941554 667035857 /nfs/dbraw/zinc/03/58/57/667035857.db2.gz MCTGQMGOQJUBFL-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO Cc1cc(=O)n(CC(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000865359788 667321703 /nfs/dbraw/zinc/32/17/03/667321703.db2.gz VFCFUHNGOGFXKJ-UHFFFAOYSA-N 1 0 308.338 0.275 20 5 DCBDRO [NH3+][C@@H]1C[C@H](O)[C@@H](N2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000923298060 667499053 /nfs/dbraw/zinc/49/90/53/667499053.db2.gz QTZLHKQOOIPAAT-CQDKDKBSSA-N 1 0 306.366 0.567 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@H](O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000737397636 667601231 /nfs/dbraw/zinc/60/12/31/667601231.db2.gz BMNUHSIADGVYSP-VIFPVBQESA-N 1 0 312.326 0.501 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000869814111 667684630 /nfs/dbraw/zinc/68/46/30/667684630.db2.gz TYJWZSBEGBOZRN-ZIAGYGMSSA-N 1 0 301.346 0.996 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885859920 667713016 /nfs/dbraw/zinc/71/30/16/667713016.db2.gz CZAMMKCVNOUNQN-GFCCVEGCSA-N 1 0 322.365 0.916 20 5 DCBDRO Cn1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000747232054 667897818 /nfs/dbraw/zinc/89/78/18/667897818.db2.gz QBIUBCDSESKHCG-MNOVXSKESA-N 1 0 308.338 0.526 20 5 DCBDRO CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC[N@H+](C)CC1 ZINC000888998694 667947868 /nfs/dbraw/zinc/94/78/68/667947868.db2.gz FMHJGJKRWVHEQF-UHFFFAOYSA-N 1 0 306.366 0.914 20 5 DCBDRO Cc1c(C[NH2+]CCCN2CCNC(=O)C2)cccc1[N+](=O)[O-] ZINC000873132982 667975157 /nfs/dbraw/zinc/97/51/57/667975157.db2.gz AHJKOJIRPBDGLI-UHFFFAOYSA-N 1 0 306.366 0.815 20 5 DCBDRO COC(=O)C[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000754511499 668046918 /nfs/dbraw/zinc/04/69/18/668046918.db2.gz AWTZKUIPVQIBRH-NWDGAFQWSA-N 1 0 312.326 0.084 20 5 DCBDRO C[C@H]1COC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000926150759 668379293 /nfs/dbraw/zinc/37/92/93/668379293.db2.gz NWFVBCMBAGURFN-GWCFXTLKSA-N 1 0 314.363 0.993 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCN3CCOCC3)C2)c1 ZINC000876885683 668528773 /nfs/dbraw/zinc/52/87/73/668528773.db2.gz NXQMNBCXGCEBGK-UHFFFAOYSA-N 1 0 309.370 0.807 20 5 DCBDRO C[C@H]1CN(CC[N+](=O)[O-])C2(CCCC2)CN1CC[N+](=O)[O-] ZINC000930610426 669047098 /nfs/dbraw/zinc/04/70/98/669047098.db2.gz QYYADCGBSXVGTK-LBPRGKRZSA-N 1 0 300.359 0.859 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000808169681 670394859 /nfs/dbraw/zinc/39/48/59/670394859.db2.gz DKYJQNRXFCEDNV-SECBINFHSA-N 1 0 312.282 0.155 20 5 DCBDRO [NH3+]CCn1cc(-c2nc(Cc3ccc([N+](=O)[O-])cn3)no2)nn1 ZINC000854142017 670527169 /nfs/dbraw/zinc/52/71/69/670527169.db2.gz CYSPZSYWMQSVCV-UHFFFAOYSA-N 1 0 316.281 0.181 20 5 DCBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000850839269 670947541 /nfs/dbraw/zinc/94/75/41/670947541.db2.gz PLNVCETXPYLFLS-QMMMGPOBSA-N 1 0 312.713 0.665 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)c1 ZINC000819052997 671090042 /nfs/dbraw/zinc/09/00/42/671090042.db2.gz HUYPIBFNAFJUEN-DGCLKSJQSA-N 1 0 314.363 0.795 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296966 671115341 /nfs/dbraw/zinc/11/53/41/671115341.db2.gz DBIGRJKNQNEQEC-UHFFFAOYSA-N 1 0 318.333 0.626 20 5 DCBDRO C[C@@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000819887834 671143700 /nfs/dbraw/zinc/14/37/00/671143700.db2.gz QHHLRHCLAOVJKT-JTQLQIEISA-N 1 0 307.354 0.751 20 5 DCBDRO [NH3+]C[C@@H]1CC(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)=NO1 ZINC000852838620 671170522 /nfs/dbraw/zinc/17/05/22/671170522.db2.gz LLMHQXOABXQVSM-NSHDSACASA-N 1 0 308.294 0.193 20 5 DCBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H]3COCC[NH2+]3)n2)n1C ZINC000823094387 671368930 /nfs/dbraw/zinc/36/89/30/671368930.db2.gz QRUIRCROZLQGQY-QMMMGPOBSA-N 1 0 308.298 0.218 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825615322 671467947 /nfs/dbraw/zinc/46/79/47/671467947.db2.gz REZUOFGTODMFCF-ZDUSSCGKSA-N 1 0 311.338 0.323 20 5 DCBDRO O=C(N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000826896614 671505130 /nfs/dbraw/zinc/50/51/30/671505130.db2.gz CNBQGFAWKXXXDH-AWEZNQCLSA-N 1 0 323.328 0.340 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)n1 ZINC000827264432 671520552 /nfs/dbraw/zinc/52/05/52/671520552.db2.gz BQXFBZYSIKMFEG-WDEREUQCSA-N 1 0 307.354 0.977 20 5 DCBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CCO ZINC000829756793 671588030 /nfs/dbraw/zinc/58/80/30/671588030.db2.gz VVJUWLZRIWQULF-UHFFFAOYSA-N 1 0 313.379 0.971 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000830871834 671645082 /nfs/dbraw/zinc/64/50/82/671645082.db2.gz OSSWFPYPXXMRGF-BNOWGMLFSA-N 1 0 324.333 0.484 20 5 DCBDRO C[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])C[C@H](C)[N@H+]1CCO ZINC000836870634 671836984 /nfs/dbraw/zinc/83/69/84/671836984.db2.gz ZWVHYXZUHMXFAC-TXEJJXNPSA-N 1 0 301.387 0.735 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841149186 671914993 /nfs/dbraw/zinc/91/49/93/671914993.db2.gz IRTMBRILDXUSAN-VIFPVBQESA-N 1 0 324.312 0.849 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842666713 672027305 /nfs/dbraw/zinc/02/73/05/672027305.db2.gz FKAGKFCDCRUEAO-VIFPVBQESA-N 1 0 305.294 0.655 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)c2cccc(F)c2)c1 ZINC000843068552 672058795 /nfs/dbraw/zinc/05/87/95/672058795.db2.gz HBOXSYFWRCGPQY-KBPBESRZSA-N 1 0 324.312 0.615 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000725373068 685320583 /nfs/dbraw/zinc/32/05/83/685320583.db2.gz JVIUFLMGAAAZAL-WDEREUQCSA-N 1 0 311.363 0.825 20 5 DCBDRO Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001020138960 693709622 /nfs/dbraw/zinc/70/96/22/693709622.db2.gz JTXAYXWSDFXOPF-CNVPUSNMSA-N 1 0 310.379 0.854 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(CO)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020138901 693709639 /nfs/dbraw/zinc/70/96/39/693709639.db2.gz HGDQQTZHRSKENC-KBUPBQIOSA-N 1 0 319.361 0.581 20 5 DCBDRO CN(CCC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)C(N)=O ZINC001699531973 1157348266 /nfs/dbraw/zinc/34/82/66/1157348266.db2.gz CJHXCEDZUSSFRY-UHFFFAOYSA-N 1 0 300.340 0.080 20 5 DCBDRO CC[C@@H]1C[NH2+][C@@H](CC)CN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001573717728 1163539653 /nfs/dbraw/zinc/53/96/53/1163539653.db2.gz HJJCARCQHJUSFE-NWDGAFQWSA-N 1 0 322.365 0.746 20 5 DCBDRO C[C@](N)(C(=O)NCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001576081191 1164232998 /nfs/dbraw/zinc/23/29/98/1164232998.db2.gz KLUDDURPKPBFFQ-OAHLLOKOSA-N 1 0 306.366 0.981 20 5 DCBDRO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001576299310 1164295365 /nfs/dbraw/zinc/29/53/65/1164295365.db2.gz FESBYZOECBMXNK-AXTRIDKLSA-N 1 0 311.363 0.524 20 5 DCBDRO C[C@@]1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])C[NH2+]CCO1 ZINC001576509967 1164371942 /nfs/dbraw/zinc/37/19/42/1164371942.db2.gz PGCUCDBBAOLQDO-HNNXBMFYSA-N 1 0 322.365 0.892 20 5 DCBDRO C[NH2+]CCC(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC001578674249 1165084907 /nfs/dbraw/zinc/08/49/07/1165084907.db2.gz ZWTGNSNWSOGOJD-CQSZACIVSA-N 1 0 309.322 0.709 20 5 DCBDRO CNc1nccc(C(=O)N2CC3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001578763125 1165097823 /nfs/dbraw/zinc/09/78/23/1165097823.db2.gz BSNDHNVIRIUZEC-UHFFFAOYSA-N 1 0 305.338 0.857 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[NH2+][C@H](CCO)C2)c1 ZINC001578875128 1165147272 /nfs/dbraw/zinc/14/72/72/1165147272.db2.gz VOEARUUCRZPGHF-LLVKDONJSA-N 1 0 309.322 0.542 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN[C@@]1(CO)CCC[NH2+]C1 ZINC001579642385 1165370018 /nfs/dbraw/zinc/37/00/18/1165370018.db2.gz CTZGOYZEUGGXFX-HNNXBMFYSA-N 1 0 322.365 0.546 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]3)C[C@H]2[NH3+])cn1 ZINC001579967960 1165454074 /nfs/dbraw/zinc/45/40/74/1165454074.db2.gz GRVIWXLPMFUXRG-WDEREUQCSA-N 1 0 304.310 0.223 20 5 DCBDRO [NH3+]CCN(CC(F)(F)F)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001580305746 1165564362 /nfs/dbraw/zinc/56/43/62/1165564362.db2.gz KNVROSCMKUKBLS-SNVBAGLBSA-N 1 0 321.255 0.978 20 5 DCBDRO O=C([C@H]1[C@@H]2C[NH2+]CC[C@@H]21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001580491689 1165621995 /nfs/dbraw/zinc/62/19/95/1165621995.db2.gz NSUGFAQFEQULNL-OUCADQQQSA-N 1 0 319.365 0.810 20 5 DCBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001580746742 1165707167 /nfs/dbraw/zinc/70/71/67/1165707167.db2.gz ROVCFULJIACKPZ-ZYHUDNBSSA-N 1 0 302.290 0.206 20 5 DCBDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590322963 1166864935 /nfs/dbraw/zinc/86/49/35/1166864935.db2.gz DWOWTPXQZHAPJO-KWQFWETISA-N 1 0 304.310 0.899 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001591180696 1167132869 /nfs/dbraw/zinc/13/28/69/1167132869.db2.gz PURGWTVDNYXULO-ZDUSSCGKSA-N 1 0 319.325 0.253 20 5 DCBDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591472378 1167301533 /nfs/dbraw/zinc/30/15/33/1167301533.db2.gz QWXFSTCVTNIHFL-ZYHUDNBSSA-N 1 0 320.309 0.278 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1C[N@H+](CCO)CC1CC1 ZINC001593467235 1167859456 /nfs/dbraw/zinc/85/94/56/1167859456.db2.gz NVDOFHUFFRRUAP-UHFFFAOYSA-N 1 0 318.337 0.979 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CCC[C@H]1CO ZINC001593480840 1167865610 /nfs/dbraw/zinc/86/56/10/1167865610.db2.gz CYRXGRTWLUDCLH-VIFPVBQESA-N 1 0 304.310 0.732 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001596787870 1167996604 /nfs/dbraw/zinc/99/66/04/1167996604.db2.gz MNQYXRHLJWRKKU-CKYFFXLPSA-N 1 0 323.353 0.642 20 5 DCBDRO CC(C)[C@H](CO)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001603386925 1169304567 /nfs/dbraw/zinc/30/45/67/1169304567.db2.gz YLRUXWAKAWCTJO-NSHDSACASA-N 1 0 306.326 0.881 20 5 DCBDRO C[NH+](C)CC1CN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC001604680069 1169653226 /nfs/dbraw/zinc/65/32/26/1169653226.db2.gz GNAPUYLOSQQTMF-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO C[NH+](C)CCOCCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001604688027 1169656589 /nfs/dbraw/zinc/65/65/89/1169656589.db2.gz OODPBOGQVBQEQG-UHFFFAOYSA-N 1 0 322.329 0.160 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)n1 ZINC001618102445 1171394779 /nfs/dbraw/zinc/39/47/79/1171394779.db2.gz ZJPBCMRIFMVJLJ-GHMZBOCLSA-N 1 0 324.385 0.175 20 5 DCBDRO C[C@](CO)([NH2+]CC[C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC001620495450 1171404350 /nfs/dbraw/zinc/40/43/50/1171404350.db2.gz OYKRKJJJXMMKCC-IAQYHMDHSA-N 1 0 307.350 0.918 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@H]1CN(C)CCO1 ZINC001622416689 1171424763 /nfs/dbraw/zinc/42/47/63/1171424763.db2.gz ZWVIOXUFZASNHU-TVQRCGJNSA-N 1 0 308.338 0.626 20 5 DCBDRO Nc1ncc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC001626733511 1171488019 /nfs/dbraw/zinc/48/80/19/1171488019.db2.gz GHPXCBWDXTUURV-NSHDSACASA-N 1 0 305.338 0.882 20 5 DCBDRO COCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001629080659 1171541166 /nfs/dbraw/zinc/54/11/66/1171541166.db2.gz YEJFBZDYPYAIFP-UHFFFAOYSA-N 1 0 310.354 0.875 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001641856930 1171930694 /nfs/dbraw/zinc/93/06/94/1171930694.db2.gz HQEAJMAIKKSMBG-TZMCWYRMSA-N 1 0 323.349 0.201 20 5 DCBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCN3CCOC[C@]3(CO)C2)cc1 ZINC001644676945 1172013271 /nfs/dbraw/zinc/01/32/71/1172013271.db2.gz SIAUADORWFBSPV-MRXNPFEDSA-N 1 0 321.377 0.516 20 5 DCBDRO C[NH+](C)CC[C@@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC001645133047 1172029531 /nfs/dbraw/zinc/02/95/31/1172029531.db2.gz VILIMVRHZOJTOJ-SNVBAGLBSA-N 1 0 307.354 0.986 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001652642691 1173773356 /nfs/dbraw/zinc/77/33/56/1173773356.db2.gz QOKVPUOHUMTIEB-LLVKDONJSA-N 1 0 323.353 0.311 20 5 DCBDRO CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001655330875 1173817709 /nfs/dbraw/zinc/81/77/09/1173817709.db2.gz UTDKRWDITOQHDS-NSHDSACASA-N 1 0 310.358 0.575 20 5 DCBDRO CN(CC[NH+]1CC2(C1)CCOCC2)c1ncc([N+](=O)[O-])c(N)n1 ZINC001655785514 1173827324 /nfs/dbraw/zinc/82/73/24/1173827324.db2.gz FFUKSWROZRVVGE-UHFFFAOYSA-N 1 0 322.369 0.516 20 5 DCBDRO CNS(=O)(=O)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001656110552 1173839380 /nfs/dbraw/zinc/83/93/80/1173839380.db2.gz CKXMGANFGPJZEB-UHFFFAOYSA-N 1 0 301.368 0.850 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(CO)(CO)CC2)c1 ZINC001660071066 1173939427 /nfs/dbraw/zinc/93/94/27/1173939427.db2.gz MHTJRAPZLYDABZ-CQSZACIVSA-N 1 0 310.350 0.695 20 5 DCBDRO C[N@H+](CCCNC(=O)c1cn[nH]n1)Cc1cccc([N+](=O)[O-])c1 ZINC001660208055 1173960041 /nfs/dbraw/zinc/96/00/41/1173960041.db2.gz VORQPFXDVRUAOT-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC2([NH+](C)C)CC2)c([N+](=O)[O-])n1 ZINC001662754470 1174238707 /nfs/dbraw/zinc/23/87/07/1174238707.db2.gz GQCUEQPXTAOBSY-UHFFFAOYSA-N 1 0 317.371 0.184 20 5 DCBDRO O=C(NC/C=C\C[NH2+]Cc1ccc(CO)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699254821 1177991145 /nfs/dbraw/zinc/99/11/45/1177991145.db2.gz CKJCFDWRIFDPCL-LHBIUNCVSA-N 1 0 319.361 0.606 20 5 DCBDRO CN(CCNC(=O)C12CC[NH+](CC1)C2)c1ccc([N+](=O)[O-])cn1 ZINC001705472107 1180394338 /nfs/dbraw/zinc/39/43/38/1180394338.db2.gz WLIHAVOYTJKEDJ-UHFFFAOYSA-N 1 0 319.365 0.638 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000158621463 1180565632 /nfs/dbraw/zinc/56/56/32/1180565632.db2.gz VRRNOJRNJHJYJJ-CYBMUJFWSA-N 1 0 314.363 0.795 20 5 DCBDRO C[N@H+](CCCNC(=O)c1cn[nH]n1)Cc1ccccc1[N+](=O)[O-] ZINC001712957074 1180586401 /nfs/dbraw/zinc/58/64/01/1180586401.db2.gz UCEJIBVMHNQGRO-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO CCNC(=O)CC(=O)NCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001713451189 1180830982 /nfs/dbraw/zinc/83/09/82/1180830982.db2.gz RSKYYLVTPBWNQX-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO Cc1nc(CC[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001714538102 1181406638 /nfs/dbraw/zinc/40/66/38/1181406638.db2.gz YBZUZVQXSHHRTB-VXGBXAGGSA-N 1 0 312.395 0.707 20 5 DCBDRO Cc1cc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)no1 ZINC001717150365 1182696747 /nfs/dbraw/zinc/69/67/47/1182696747.db2.gz XXHLZSWDCWREHW-VXGBXAGGSA-N 1 0 308.338 0.777 20 5 DCBDRO CC(C)N(CC[N@H+](C)CCn1cccn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001725729403 1184976747 /nfs/dbraw/zinc/97/67/47/1184976747.db2.gz WYTFVYKLXVJLDU-ZIAGYGMSSA-N 1 0 323.397 0.717 20 5 DCBDRO Cc1nn(C(C)C)cc1C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731912315 1185569021 /nfs/dbraw/zinc/56/90/21/1185569021.db2.gz YLFLNLFSOIEKER-ZIAGYGMSSA-N 1 0 323.397 0.986 20 5 DCBDRO Cc1ncoc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCC1 ZINC001733717260 1186412557 /nfs/dbraw/zinc/41/25/57/1186412557.db2.gz ZGWHQTYTKAXVKN-GHMZBOCLSA-N 1 0 308.338 0.777 20 5 DCBDRO COc1ccc(CC[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001753048937 1188483509 /nfs/dbraw/zinc/48/35/09/1188483509.db2.gz LFPQARQVJDNGBO-HUUCEWRRSA-N 1 0 321.377 0.951 20 5 DCBDRO N=c1ncc(C[NH3+])cn1-c1nc(Cl)nc(Cl)c1[N+](=O)[O-] ZINC001161414624 747595178 /nfs/dbraw/zinc/59/51/78/747595178.db2.gz FOHGREBQUCVENN-UHFFFAOYSA-N 1 0 316.108 0.815 20 5 DCBDRO CCn1ncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001126706482 749626872 /nfs/dbraw/zinc/62/68/72/749626872.db2.gz MKIROSJNHDYJRD-UHFFFAOYSA-N 1 0 318.337 0.726 20 5 DCBDRO CC[NH2+]Cc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001089274834 750925852 /nfs/dbraw/zinc/92/58/52/750925852.db2.gz CTJCLGPQXDSUKA-PSASIEDQSA-N 1 0 310.379 0.803 20 5 DCBDRO CN1Cc2cc(NC(=[NH2+])N3CCN(C)CC3)cc([N+](=O)[O-])c2N1 ZINC001168746450 754083493 /nfs/dbraw/zinc/08/34/93/754083493.db2.gz QFDQPNFHBDCTNM-UHFFFAOYSA-N 1 0 319.369 0.961 20 5 DCBDRO CSc1nc(Cl)nc(N[C@@H]2COC[C@@H]2[NH3+])c1[N+](=O)[O-] ZINC001155352650 759773105 /nfs/dbraw/zinc/77/31/05/759773105.db2.gz DKHDHLSNCGIYKQ-CRCLSJGQSA-N 1 0 305.747 0.898 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCN(CC[NH3+])N(O)N=O)n1 ZINC001161091593 767918657 /nfs/dbraw/zinc/91/86/57/767918657.db2.gz AAFIYCVNGQCTAH-UHFFFAOYSA-N 1 0 313.318 0.567 20 5 DCBDRO Cc1ncoc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086363473 760102715 /nfs/dbraw/zinc/10/27/15/760102715.db2.gz WFGNXCLPNRGOKQ-DDHJBXDOSA-N 1 0 308.338 0.633 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2nc(C[NH3+])cc2C)n1 ZINC001156044044 760289148 /nfs/dbraw/zinc/28/91/48/760289148.db2.gz HPACWNAVIWUGDE-UHFFFAOYSA-N 1 0 305.298 0.604 20 5 DCBDRO O=C(NCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCOCC1 ZINC001168973876 760535719 /nfs/dbraw/zinc/53/57/19/760535719.db2.gz PBLLWTABNFOZOL-RYUDHWBXSA-N 1 0 300.359 0.063 20 5 DCBDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H](O)C(=O)NC1CC1 ZINC001168986727 760544914 /nfs/dbraw/zinc/54/49/14/760544914.db2.gz YUPDNMGXAMIOCZ-GHYVTOPFSA-N 1 0 313.398 0.830 20 5 DCBDRO Cc1cnc(C[NH3+])n1-c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC001169031011 760549760 /nfs/dbraw/zinc/54/97/60/760549760.db2.gz ULORJFDSITWXRA-UHFFFAOYSA-N 1 0 310.335 0.951 20 5 DCBDRO O=C1CC2(CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC(=O)N1 ZINC001169039588 760555830 /nfs/dbraw/zinc/55/58/30/760555830.db2.gz REDMUPXYGJRZBY-NEPJUHHUSA-N 1 0 309.366 0.951 20 5 DCBDRO Cc1[nH]c(=O)[nH]c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001129995224 763075024 /nfs/dbraw/zinc/07/50/24/763075024.db2.gz FHMLISCBIYTPOZ-UHFFFAOYSA-N 1 0 319.321 0.852 20 5 DCBDRO C[C@H](Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])[C@@H]1C[NH2+]CCO1 ZINC001170563886 763840713 /nfs/dbraw/zinc/84/07/13/763840713.db2.gz NTHAZCCFPDHDFW-XVKPBYJWSA-N 1 0 302.718 0.670 20 5 DCBDRO Cn1cc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC001124608487 768269337 /nfs/dbraw/zinc/26/93/37/768269337.db2.gz WSAXIXKGASJWJO-UHFFFAOYSA-N 1 0 323.378 0.838 20 5 DCBDRO CC(=O)N1CCc2cc(N[C@H]3C[NH2+]C[C@@H]3CO)cc([N+](=O)[O-])c21 ZINC001170778738 765728648 /nfs/dbraw/zinc/72/86/48/765728648.db2.gz ARKJWELWSRSNOE-YPMHNXCESA-N 1 0 320.349 0.496 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170778746 765728778 /nfs/dbraw/zinc/72/87/78/765728778.db2.gz NNVPMTLWGIAGCA-IUCAKERBSA-N 1 0 310.310 0.077 20 5 DCBDRO O=C(NC1CC1)[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC001116209419 765850295 /nfs/dbraw/zinc/85/02/95/765850295.db2.gz MYDJLWNVAWZNCJ-NSHDSACASA-N 1 0 307.354 0.782 20 5 DCBDRO COc1nc(N[C@H](C)[C@@H]2C[NH2+]CCO2)nc(OC)c1[N+](=O)[O-] ZINC001159496590 766004660 /nfs/dbraw/zinc/00/46/60/766004660.db2.gz KJXCDNKXFQOSJE-SFYZADRCSA-N 1 0 313.314 0.191 20 5 DCBDRO C[NH+]1CCC(N(CCO)C(=O)c2cc([N+](=O)[O-])ccc2N)CC1 ZINC001143822334 766714207 /nfs/dbraw/zinc/71/42/07/766714207.db2.gz QSZKTFVETYDUHJ-UHFFFAOYSA-N 1 0 322.365 0.706 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)Cn3cnc([N+](=O)[O-])n3)C[C@@H]2C1 ZINC001120289984 766957459 /nfs/dbraw/zinc/95/74/59/766957459.db2.gz LOHLYVCITTVSDB-SDDRHHMPSA-N 1 0 322.369 0.375 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001121291697 767500246 /nfs/dbraw/zinc/50/02/46/767500246.db2.gz OSDPAGOSXYFIBO-SDDRHHMPSA-N 1 0 307.354 0.556 20 5 DCBDRO O=C([C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1)N1CCOC2(C[NH2+]C2)C1 ZINC001122081832 767711878 /nfs/dbraw/zinc/71/18/78/767711878.db2.gz JULMEQJAXRWFGQ-KGLIPLIRSA-N 1 0 317.345 0.899 20 5 DCBDRO COCC[C@H]1C[NH2+]CCN1C(=O)COc1ccccc1[N+](=O)[O-] ZINC001122314191 767766387 /nfs/dbraw/zinc/76/63/87/767766387.db2.gz VTOLMWGYFQXHEX-LBPRGKRZSA-N 1 0 323.349 0.811 20 5 DCBDRO Cc1ccnc(N2CCN(C(=O)CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001093193644 768484194 /nfs/dbraw/zinc/48/41/94/768484194.db2.gz SJIFSWVPLRGLKX-UHFFFAOYSA-N 1 0 321.381 0.899 20 5 DCBDRO C[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2S(N)(=O)=O)CC1 ZINC001233625589 769414334 /nfs/dbraw/zinc/41/43/34/769414334.db2.gz ZKLSEQMHSFQCFW-UHFFFAOYSA-N 1 0 315.351 0.715 20 5 DCBDRO O=C(Cn1ccnc1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001153487746 769826693 /nfs/dbraw/zinc/82/66/93/769826693.db2.gz LXEINNOGUITAPB-UHFFFAOYSA-N 1 0 303.322 0.697 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])cc2N)CC1 ZINC001155159175 770417307 /nfs/dbraw/zinc/41/73/07/770417307.db2.gz IRSQPXOIJRVECL-NSHDSACASA-N 1 0 309.326 0.289 20 5 DCBDRO COc1nc(NCC[C@@H]2CCOC23C[NH2+]C3)ncc1[N+](=O)[O-] ZINC001155471285 770514268 /nfs/dbraw/zinc/51/42/68/770514268.db2.gz PXUYUBJSBZPFSJ-SECBINFHSA-N 1 0 309.326 0.574 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001155502781 770527908 /nfs/dbraw/zinc/52/79/08/770527908.db2.gz MMZGMAPHJIFYCB-GMTAPVOTSA-N 1 0 308.294 0.175 20 5 DCBDRO COC(=O)c1cnc(NC[C@@]23C[NH2+][C@@H](CO2)C3)c([N+](=O)[O-])c1 ZINC001155541259 770539018 /nfs/dbraw/zinc/53/90/18/770539018.db2.gz BGHIHWVSWZGQKX-NOZJJQNGSA-N 1 0 308.294 0.319 20 5 DCBDRO COc1nc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155619481 770568033 /nfs/dbraw/zinc/56/80/33/770568033.db2.gz PKSKGTPBJCHRIH-TVQRCGJNSA-N 1 0 309.326 0.716 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001155634366 770573040 /nfs/dbraw/zinc/57/30/40/770573040.db2.gz BQRMARXTGWQRFR-VWYCJHECSA-N 1 0 308.294 0.318 20 5 DCBDRO COc1ncnc(N(c2ncccn2)C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001155871536 770644726 /nfs/dbraw/zinc/64/47/26/770644726.db2.gz DDOZUGUFPCKUFS-UHFFFAOYSA-N 1 0 303.282 0.293 20 5 DCBDRO Cn1ncnc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458553 770759500 /nfs/dbraw/zinc/75/95/00/770759500.db2.gz LNGURPRERJAWFI-VXGBXAGGSA-N 1 0 324.385 0.247 20 5 DCBDRO Cc1nc(N)ccc1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156986522 770990581 /nfs/dbraw/zinc/99/05/81/770990581.db2.gz YRFHJRWURJVLPD-UHFFFAOYSA-N 1 0 315.337 0.969 20 5 DCBDRO O=C(NCCC[NH2+]Cc1cccc(Cl)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761005 771665460 /nfs/dbraw/zinc/66/54/60/771665460.db2.gz JRUKKLXGAZSQHQ-GHMZBOCLSA-N 1 0 312.757 0.996 20 5 DCBDRO CC(C)n1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001157767186 771665682 /nfs/dbraw/zinc/66/56/82/771665682.db2.gz ITIVIMYVRKSMQY-VXGBXAGGSA-N 1 0 310.358 0.120 20 5 DCBDRO CC(C)(C)n1cc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1 ZINC001157767039 771665994 /nfs/dbraw/zinc/66/59/94/771665994.db2.gz DVHRRTJYKLHERV-VXGBXAGGSA-N 1 0 324.385 0.294 20 5 DCBDRO COc1cc2ncnc(NC[C@H]3COCC[NH2+]3)c2cc1[N+](=O)[O-] ZINC001159043236 771850775 /nfs/dbraw/zinc/85/07/75/771850775.db2.gz ANYAQSXRXVITPE-VIFPVBQESA-N 1 0 319.321 0.947 20 5 DCBDRO CCOc1nc(NCCOCCOCC[NH3+])ccc1[N+](=O)[O-] ZINC001159445594 771911354 /nfs/dbraw/zinc/91/13/54/771911354.db2.gz NWCLUKZMDZFWDI-UHFFFAOYSA-N 1 0 314.342 0.792 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001159865215 771970517 /nfs/dbraw/zinc/97/05/17/771970517.db2.gz UKLRYFDHOZAURO-UHFFFAOYSA-N 1 0 307.310 0.799 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cnc(N)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001159885489 771972980 /nfs/dbraw/zinc/97/29/80/771972980.db2.gz OMIOCHFFRAKDCB-LSJOCFKGSA-N 1 0 305.338 0.642 20 5 DCBDRO COc1nc(N[C@@]2(C[NH3+])CN3CCC2CC3)ncc1[N+](=O)[O-] ZINC001160508922 772052607 /nfs/dbraw/zinc/05/26/07/772052607.db2.gz KUTHPXJPSJKLIE-ZDUSSCGKSA-N 1 0 308.342 0.228 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1NC1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001161469822 772228852 /nfs/dbraw/zinc/22/88/52/772228852.db2.gz JLZMJBRITZIUGB-LLVKDONJSA-N 1 0 306.370 0.810 20 5 DCBDRO [NH3+]C1CCN(CCNc2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1 ZINC001161867904 772291911 /nfs/dbraw/zinc/29/19/11/772291911.db2.gz VUNMLVHPMJTATI-UHFFFAOYSA-N 1 0 315.761 0.717 20 5 DCBDRO COc1ncnc(-n2c(C[NH3+])nc3cnccc32)c1[N+](=O)[O-] ZINC001162215692 772342354 /nfs/dbraw/zinc/34/23/54/772342354.db2.gz NUJLWSAVOAFGLS-UHFFFAOYSA-N 1 0 301.266 0.586 20 5 DCBDRO COc1nc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)nc(OC)c1[N+](=O)[O-] ZINC001162792913 772418566 /nfs/dbraw/zinc/41/85/66/772418566.db2.gz JAHMAUUSNRYLQX-IWSPIJDZSA-N 1 0 307.310 0.588 20 5 DCBDRO CC(=O)N1CCc2cc(N[C@@H]3COC[C@@H]3[NH3+])cc([N+](=O)[O-])c21 ZINC001162926704 772433237 /nfs/dbraw/zinc/43/32/37/772433237.db2.gz ZKAIZDYMAVZFEX-NWDGAFQWSA-N 1 0 306.322 0.642 20 5 DCBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2N[C@H]1COCCC12C[NH2+]C2 ZINC001163082413 772457897 /nfs/dbraw/zinc/45/78/97/772457897.db2.gz QAASAUXGORAUIL-LBPRGKRZSA-N 1 0 318.333 0.629 20 5 DCBDRO COc1nc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)nc(C)c1[N+](=O)[O-] ZINC001163094111 772460743 /nfs/dbraw/zinc/46/07/43/772460743.db2.gz HKBMSOZETMYQEA-OPRDCNLKSA-N 1 0 309.326 0.348 20 5 DCBDRO COc1nc(C)nc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1[N+](=O)[O-] ZINC001163162831 772474931 /nfs/dbraw/zinc/47/49/31/772474931.db2.gz FDFAKNRPNDXIIY-MXWKQRLJSA-N 1 0 323.353 0.738 20 5 DCBDRO COc1c(F)cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163246855 772489985 /nfs/dbraw/zinc/48/99/85/772489985.db2.gz BGNZDOCKPLBJJD-ZWNOBZJWSA-N 1 0 310.285 0.733 20 5 DCBDRO COc1c(F)cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163246854 772490025 /nfs/dbraw/zinc/49/00/25/772490025.db2.gz BGNZDOCKPLBJJD-MFKMUULPSA-N 1 0 310.285 0.733 20 5 DCBDRO NC(=O)c1nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC001163307230 772503581 /nfs/dbraw/zinc/50/35/81/772503581.db2.gz XBBFPWNABAJVJX-YMTOWFKASA-N 1 0 321.337 0.412 20 5 DCBDRO C[C@@]1(CO)CCN(c2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001164140267 772615897 /nfs/dbraw/zinc/61/58/97/772615897.db2.gz YBFDLBHBCKEEBP-CQSZACIVSA-N 1 0 322.369 0.003 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NCC2([NH+](C)C)CCN(C)CC2)n1 ZINC001164206994 772625580 /nfs/dbraw/zinc/62/55/80/772625580.db2.gz OYWYQPCZZNEPKC-UHFFFAOYSA-N 1 0 324.385 0.831 20 5 DCBDRO COc1cc(C)c([N+](=O)[O-])cc1N(C)S(=O)(=O)CC[NH3+] ZINC001164296828 772640735 /nfs/dbraw/zinc/64/07/35/772640735.db2.gz QXGIGKNODYKJOA-UHFFFAOYSA-N 1 0 303.340 0.637 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)nc1Cl ZINC001165283727 772717056 /nfs/dbraw/zinc/71/70/56/772717056.db2.gz KXBLCNGNILISGF-RNCFNFMXSA-N 1 0 312.757 0.970 20 5 DCBDRO O=C1NCCN(c2ccc3c(cccc3[N+](=O)[O-])n2)C12C[NH2+]C2 ZINC001165298712 772720489 /nfs/dbraw/zinc/72/04/89/772720489.db2.gz SWNAIRYVBTVLOS-UHFFFAOYSA-N 1 0 313.317 0.421 20 5 DCBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1ncc([N+](=O)[O-])cn1 ZINC001166411372 772809918 /nfs/dbraw/zinc/80/99/18/772809918.db2.gz ZSCKQWFHJBQZGS-UHFFFAOYSA-N 1 0 323.334 0.941 20 5 DCBDRO COc1cc(-n2c(=N)sc3c2CC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001166859617 772871874 /nfs/dbraw/zinc/87/18/74/772871874.db2.gz JMZLEDQFJATAQA-UHFFFAOYSA-N 1 0 307.335 0.976 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]1CO ZINC001198113157 773863519 /nfs/dbraw/zinc/86/35/19/773863519.db2.gz WCVDTIPMZVAIKU-LLVKDONJSA-N 1 0 309.322 0.999 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)CNCC[NH3+] ZINC001218859002 774316654 /nfs/dbraw/zinc/31/66/54/774316654.db2.gz HTOXAOOERZWUSQ-UHFFFAOYSA-N 1 0 310.361 0.852 20 5 DCBDRO C[N@@H+]1CCCC[C@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001223646825 775507280 /nfs/dbraw/zinc/50/72/80/775507280.db2.gz NITBFEWXAGXIMJ-NSHDSACASA-N 1 0 310.358 0.575 20 5 DCBDRO Cc1n[nH]nc1C(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001317616347 945116293 /nfs/dbraw/zinc/11/62/93/945116293.db2.gz SVKIAJFIAGNSQS-UHFFFAOYSA-N 1 0 318.337 0.883 20 5 DCBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)c1cn(C)nn1 ZINC001266689892 939210729 /nfs/dbraw/zinc/21/07/29/939210729.db2.gz JBKWZEHYLQABFA-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO Cn1nccc1C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCCC1 ZINC001267838010 939692643 /nfs/dbraw/zinc/69/26/43/939692643.db2.gz QBISVTVOOQOXMD-CHWSQXEVSA-N 1 0 321.381 0.604 20 5 DCBDRO NC(=O)CC(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001269387877 940696970 /nfs/dbraw/zinc/69/69/70/940696970.db2.gz AMOIJNIMINHLTB-UHFFFAOYSA-N 1 0 306.322 0.209 20 5 DCBDRO COCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001270060683 940827144 /nfs/dbraw/zinc/82/71/44/940827144.db2.gz RKVZGJFMDUXIHG-ZIAGYGMSSA-N 1 0 307.350 0.704 20 5 DCBDRO CN(CC[NH2+]Cc1ccnc(Cl)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001493546517 942839238 /nfs/dbraw/zinc/83/92/38/942839238.db2.gz YYTKWPCKWLGZBE-GHMZBOCLSA-N 1 0 312.757 0.948 20 5 DCBDRO COc1cc(OCC(=O)NCC[NH+]2CC=CC2)ccc1[N+](=O)[O-] ZINC001318953499 945471014 /nfs/dbraw/zinc/47/10/14/945471014.db2.gz RXWNBYBEJWSONW-UHFFFAOYSA-N 1 0 321.333 0.970 20 5 DCBDRO O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319855887 945680919 /nfs/dbraw/zinc/68/09/19/945680919.db2.gz KQKFZAOXMTWSEQ-HNNXBMFYSA-N 1 0 316.361 0.827 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)NCCCC[NH+]2CCN(C)CC2)n1 ZINC001320011184 945717529 /nfs/dbraw/zinc/71/75/29/945717529.db2.gz RBLUHPAZTJJQSL-UHFFFAOYSA-N 1 0 324.385 0.086 20 5 DCBDRO C[NH+]1CCN(C2CN(C(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1 ZINC001321462365 946339839 /nfs/dbraw/zinc/33/98/39/946339839.db2.gz RNSXNFKCSCPKRN-UHFFFAOYSA-N 1 0 319.365 0.249 20 5 DCBDRO CCN(CC[NH2+]Cc1cncc(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001273375107 946912446 /nfs/dbraw/zinc/91/24/46/946912446.db2.gz QIIXTSWRRGNGQP-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO CC(C)[C@@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nncn1C ZINC001323546398 947121901 /nfs/dbraw/zinc/12/19/01/947121901.db2.gz TYGWBWXHUPEDTL-NWDGAFQWSA-N 1 0 323.357 0.268 20 5 DCBDRO C[C@@H]1C[C@@H](N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001324267979 947371471 /nfs/dbraw/zinc/37/14/71/947371471.db2.gz SZCMZCRRZJWRHB-NEPJUHHUSA-N 1 0 322.365 0.698 20 5 DCBDRO CN(CC(C)(C)C[NH2+]Cc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001329293023 949486113 /nfs/dbraw/zinc/48/61/13/949486113.db2.gz QVXWFFIEHSVNPY-CHWSQXEVSA-N 1 0 323.397 0.660 20 5 DCBDRO CC[N@H+](C)CCC(=O)NCCN(C)c1ncccc1[N+](=O)[O-] ZINC001316594485 950529670 /nfs/dbraw/zinc/52/96/70/950529670.db2.gz FHQLTZQIDWRGDF-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO CC(C)c1noc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC001331958423 951411957 /nfs/dbraw/zinc/41/19/57/951411957.db2.gz KWDWEQOQTHIPQB-NSHDSACASA-N 1 0 324.341 0.491 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001340863621 953200139 /nfs/dbraw/zinc/20/01/39/953200139.db2.gz UYRLFWPCKZVFJW-MJBXVCDLSA-N 1 0 307.350 0.737 20 5 DCBDRO CC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C[C@H]2CCOC2)CC1 ZINC001349222101 954658866 /nfs/dbraw/zinc/65/88/66/954658866.db2.gz FSLULAXLMFTCMA-GFCCVEGCSA-N 1 0 324.385 0.233 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001353285182 956004483 /nfs/dbraw/zinc/00/44/83/956004483.db2.gz KHAVWVMNYRTPNA-OUAUKWLOSA-N 1 0 307.354 0.707 20 5 DCBDRO C[C@@H](c1nnc(N2CCN([C@@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001355415613 956645843 /nfs/dbraw/zinc/64/58/43/956645843.db2.gz KOHHEZDDRCPRDN-WDEREUQCSA-N 1 0 310.358 0.064 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](CO)c1cncn1C ZINC001301544861 960001493 /nfs/dbraw/zinc/00/14/93/960001493.db2.gz DDYKZKDFIRWFSQ-SNVBAGLBSA-N 1 0 322.325 0.073 20 5 DCBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1[N+](=O)[O-] ZINC001305874084 960114572 /nfs/dbraw/zinc/11/45/72/960114572.db2.gz MPNMVGPPQKZSRN-WCABBAIRSA-N 1 0 307.354 0.950 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC001307995648 960164282 /nfs/dbraw/zinc/16/42/82/960164282.db2.gz CNAFPUVUHZTPNM-OKILXGFUSA-N 1 0 312.370 0.413 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001471879146 1016682007 /nfs/dbraw/zinc/68/20/07/1016682007.db2.gz WPUWJCNUOUVVJF-UHFFFAOYSA-N 1 0 320.349 0.770 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001519607170 1017218937 /nfs/dbraw/zinc/21/89/37/1017218937.db2.gz RNWAPNJEDQSICC-NSHDSACASA-N 1 0 312.374 0.139 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC001472695773 1016848393 /nfs/dbraw/zinc/84/83/93/1016848393.db2.gz FSDQEKTXAVTAQF-GFCCVEGCSA-N 1 0 308.386 0.545 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](Nc3ncccn3)C2)n1 ZINC001473863684 1016981324 /nfs/dbraw/zinc/98/13/24/1016981324.db2.gz BIZJAJWOTUBKLF-LLVKDONJSA-N 1 0 303.326 0.768 20 5 DCBDRO O=C1NCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001474646842 1017030324 /nfs/dbraw/zinc/03/03/24/1017030324.db2.gz JCCBNIJBTZOYPK-LBPRGKRZSA-N 1 0 305.338 0.437 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH2+][C@@H](Cc2ccc(F)cc2)C1 ZINC001454257806 1009025052 /nfs/dbraw/zinc/02/50/52/1009025052.db2.gz APOOWMQWKMEWIV-BFHYXJOUSA-N 1 0 307.325 0.834 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC([NH2+]C2CCOCC2)C1 ZINC001455801756 1009977793 /nfs/dbraw/zinc/97/77/93/1009977793.db2.gz WYGVICJUNPGXAD-UHFFFAOYSA-N 1 0 323.353 0.079 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001456291326 1010171505 /nfs/dbraw/zinc/17/15/05/1010171505.db2.gz FNCIJLBYVHYWFA-GFCCVEGCSA-N 1 0 305.334 0.727 20 5 DCBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001557060699 1012253921 /nfs/dbraw/zinc/25/39/21/1012253921.db2.gz YIAYWXGYUTXZOK-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1[N+](=O)[O-] ZINC001560474632 1012449551 /nfs/dbraw/zinc/44/95/51/1012449551.db2.gz XMWKRTUPVYNWDH-CYBMUJFWSA-N 1 0 314.363 0.542 20 5 DCBDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC001460830492 1012972826 /nfs/dbraw/zinc/97/28/26/1012972826.db2.gz ZBKWAYRVQWTJFO-ZDUSSCGKSA-N 1 0 322.365 0.651 20 5 DCBDRO O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001521208544 1017335649 /nfs/dbraw/zinc/33/56/49/1017335649.db2.gz JHKKZJMZIWBAFD-HZSPNIEDSA-N 1 0 304.350 0.978 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001521286172 1017344680 /nfs/dbraw/zinc/34/46/80/1017344680.db2.gz FCOBAZZBSOKSBS-SWLSCSKDSA-N 1 0 318.377 0.642 20 5 DCBDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000130401664 282119452 /nfs/dbraw/zinc/11/94/52/282119452.db2.gz QAWQIFFVVZBVES-NSHDSACASA-N 1 0 310.358 0.384 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000090322146 185290957 /nfs/dbraw/zinc/29/09/57/185290957.db2.gz FVJPRIDDPQTWOC-PHIMTYICSA-N 1 0 311.363 0.743 20 5 DCBDRO C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000272640090 210042455 /nfs/dbraw/zinc/04/24/55/210042455.db2.gz BAJSWRLJUQYEFO-NSHDSACASA-N 1 0 322.369 0.741 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173593957 198231012 /nfs/dbraw/zinc/23/10/12/198231012.db2.gz BCIGTTWJLMGRIQ-CYBMUJFWSA-N 1 0 320.393 0.889 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@H]1CN(C)CCO1 ZINC000174161788 198300402 /nfs/dbraw/zinc/30/04/02/198300402.db2.gz QUELXWFFANBEIC-CYBMUJFWSA-N 1 0 309.322 0.550 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000160238070 237079716 /nfs/dbraw/zinc/07/97/16/237079716.db2.gz QBWAMVWESYQMAB-SNVBAGLBSA-N 1 0 307.306 0.468 20 5 DCBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1(O)CCOCC1 ZINC000187067453 200055750 /nfs/dbraw/zinc/05/57/50/200055750.db2.gz SHXRGEAFYBDMQI-UHFFFAOYSA-N 1 0 323.349 0.667 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000153801075 291208646 /nfs/dbraw/zinc/20/86/46/291208646.db2.gz QROYIYGMKSTVCX-NSHDSACASA-N 1 0 320.349 0.991 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ccccc2)c1 ZINC000315089660 291253543 /nfs/dbraw/zinc/25/35/43/291253543.db2.gz LVPPVVWCIBGFLL-ZDUSSCGKSA-N 1 0 306.322 0.821 20 5 DCBDRO CCc1nc(C)c(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)o1 ZINC000319818753 291256652 /nfs/dbraw/zinc/25/66/52/291256652.db2.gz RULHGWLDQQDSHG-LLVKDONJSA-N 1 0 309.326 0.801 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000566005161 291263709 /nfs/dbraw/zinc/26/37/09/291263709.db2.gz VQKRBLDHPBTGBC-PWSUYJOCSA-N 1 0 306.326 0.022 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000420029410 240012040 /nfs/dbraw/zinc/01/20/40/240012040.db2.gz NSRCNXUCDODWDN-JTQLQIEISA-N 1 0 320.349 0.549 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000422696375 240180350 /nfs/dbraw/zinc/18/03/50/240180350.db2.gz XDRWWHLTVYWJLF-GFCCVEGCSA-N 1 0 320.349 0.583 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423686860 240239471 /nfs/dbraw/zinc/23/94/71/240239471.db2.gz ZNUAOYWHRLDGMF-ZANVPECISA-N 1 0 316.317 0.453 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)C[NH3+] ZINC000441605678 240529218 /nfs/dbraw/zinc/52/92/18/240529218.db2.gz ZXDMCEUXLQXJOS-VHSXEESVSA-N 1 0 308.338 0.424 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CCC(O)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000567842230 291383984 /nfs/dbraw/zinc/38/39/84/291383984.db2.gz FERRKCZSRUYHTK-UHFFFAOYSA-N 1 0 311.342 0.196 20 5 DCBDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(N)c([N+](=O)[O-])c1 ZINC000264949502 204297179 /nfs/dbraw/zinc/29/71/79/204297179.db2.gz TYNVWAIZYBPBEX-NSHDSACASA-N 1 0 321.381 0.461 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H](CO)C2CC2)c1 ZINC000572523539 291573273 /nfs/dbraw/zinc/57/32/73/291573273.db2.gz FXLYHSNHCMPGAB-TZMCWYRMSA-N 1 0 310.350 0.943 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000021813535 182292765 /nfs/dbraw/zinc/29/27/65/182292765.db2.gz LDGVDQBSCMXGDP-SECBINFHSA-N 1 0 315.351 0.715 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000573141173 291614468 /nfs/dbraw/zinc/61/44/68/291614468.db2.gz UXEKBWWKKLEVCX-NEPJUHHUSA-N 1 0 319.321 0.371 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[N@H+](C)CC)c([N+](=O)[O-])n1 ZINC000339048223 253025602 /nfs/dbraw/zinc/02/56/02/253025602.db2.gz RDYDDDCMHRLTMV-UHFFFAOYSA-N 1 0 305.360 0.041 20 5 DCBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCN(CCO)CC1 ZINC000341584906 253398467 /nfs/dbraw/zinc/39/84/67/253398467.db2.gz MLSKMGUTJKLBOO-UHFFFAOYSA-N 1 0 324.381 0.145 20 5 DCBDRO [NH3+][C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000346092959 254008285 /nfs/dbraw/zinc/00/82/85/254008285.db2.gz NLFXORYSQFLORW-GFCCVEGCSA-N 1 0 304.350 0.907 20 5 DCBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)cc1 ZINC000350781906 254325642 /nfs/dbraw/zinc/32/56/42/254325642.db2.gz RFTGVBPCGLYCRH-GFCCVEGCSA-N 1 0 300.336 0.498 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000349935920 254304925 /nfs/dbraw/zinc/30/49/25/254304925.db2.gz KXJUVBGTHACGSF-UWVGGRQHSA-N 1 0 324.337 0.646 20 5 DCBDRO C[C@H](NC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000351536012 254344056 /nfs/dbraw/zinc/34/40/56/254344056.db2.gz GDALWCGADIGCNA-GWCFXTLKSA-N 1 0 320.349 0.640 20 5 DCBDRO Cc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000351533337 254344118 /nfs/dbraw/zinc/34/41/18/254344118.db2.gz IGHHJPQUSSSUQV-LLVKDONJSA-N 1 0 306.322 0.710 20 5 DCBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc([N+](=O)[O-])cc1 ZINC000351543024 254345068 /nfs/dbraw/zinc/34/50/68/254345068.db2.gz RQGQFWSYZCKNQM-GFCCVEGCSA-N 1 0 306.322 0.079 20 5 DCBDRO CCN(CCC[NH+](CC)CC)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000351902045 254379372 /nfs/dbraw/zinc/37/93/72/254379372.db2.gz BOHVHWFYKXUOHP-UHFFFAOYSA-N 1 0 312.374 0.767 20 5 DCBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193641372 395775925 /nfs/dbraw/zinc/77/59/25/395775925.db2.gz JZNSLEVIHQEJAG-OSMZGAPFSA-N 1 0 323.349 0.449 20 5 DCBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000209469300 395835380 /nfs/dbraw/zinc/83/53/80/395835380.db2.gz KMWKQNYIGFKTHV-YPMHNXCESA-N 1 0 311.363 0.718 20 5 DCBDRO Cc1ccc(C[NH2+]CCS(=O)(=O)N(C)C)cc1[N+](=O)[O-] ZINC000230990827 395883032 /nfs/dbraw/zinc/88/30/32/395883032.db2.gz VQJOEMMHNYGCMI-UHFFFAOYSA-N 1 0 301.368 0.884 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1C ZINC000246060555 395940100 /nfs/dbraw/zinc/94/01/00/395940100.db2.gz DEOFCKCHGTXLPD-MNOVXSKESA-N 1 0 322.365 0.585 20 5 DCBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000248178022 395983943 /nfs/dbraw/zinc/98/39/43/395983943.db2.gz VYAIVPGXOXULAI-WCQYABFASA-N 1 0 307.354 0.734 20 5 DCBDRO CC[N@H+](C)CCNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067483162 396027330 /nfs/dbraw/zinc/02/73/30/396027330.db2.gz ANOATEMXROFHND-UHFFFAOYSA-N 1 0 318.337 0.857 20 5 DCBDRO CCN(CCS(C)(=O)=O)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154276943 396034887 /nfs/dbraw/zinc/03/48/87/396034887.db2.gz OOIKONOFHTXQPL-CYBMUJFWSA-N 1 0 316.379 0.995 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000261617428 396049377 /nfs/dbraw/zinc/04/93/77/396049377.db2.gz AYWARJCSTJXZJK-NXEZZACHSA-N 1 0 308.338 0.437 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000261741577 396061269 /nfs/dbraw/zinc/06/12/69/396061269.db2.gz MOBRQFYGNIONRF-VIFPVBQESA-N 1 0 304.310 0.513 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CCC[NH3+] ZINC000156862290 396062669 /nfs/dbraw/zinc/06/26/69/396062669.db2.gz VUTMZWIUWPYSQY-UHFFFAOYSA-N 1 0 303.340 0.573 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000261822145 396069805 /nfs/dbraw/zinc/06/98/05/396069805.db2.gz UMYPSVHLCDKOHP-JTQLQIEISA-N 1 0 308.338 0.439 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152919463 396017750 /nfs/dbraw/zinc/01/77/50/396017750.db2.gz VDOSRDVHAWEYHD-MRVWCRGKSA-N 1 0 310.354 0.653 20 5 DCBDRO COc1ccc(CNC(=O)C[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000262220655 396112230 /nfs/dbraw/zinc/11/22/30/396112230.db2.gz PBYIMIDHLYJAKS-LLVKDONJSA-N 1 0 309.322 0.598 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000277668692 396080679 /nfs/dbraw/zinc/08/06/79/396080679.db2.gz XHVKPJOYCGXTEJ-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO C[C@@H](C[NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000262531762 396151660 /nfs/dbraw/zinc/15/16/60/396151660.db2.gz MCHNHXBWYBIMBA-NSHDSACASA-N 1 0 320.349 0.474 20 5 DCBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000176385615 396155103 /nfs/dbraw/zinc/15/51/03/396155103.db2.gz DLSJICHTBONETJ-VIFPVBQESA-N 1 0 308.338 0.508 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000279159815 396155234 /nfs/dbraw/zinc/15/52/34/396155234.db2.gz FUQZEVWNSRZFDH-SNVBAGLBSA-N 1 0 323.353 0.643 20 5 DCBDRO C[C@H](CN1CCOCC1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000279699498 396187163 /nfs/dbraw/zinc/18/71/63/396187163.db2.gz IQBJKUDHSHLPFX-CYBMUJFWSA-N 1 0 324.381 0.409 20 5 DCBDRO CC[NH+](CC)CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000078579535 396248254 /nfs/dbraw/zinc/24/82/54/396248254.db2.gz JQUWDMQKLNLWCE-UHFFFAOYSA-N 1 0 322.365 0.783 20 5 DCBDRO C[N@H+](CCOCCO)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000282246745 396274877 /nfs/dbraw/zinc/27/48/77/396274877.db2.gz BVCHYPMHOCPLPF-LBPRGKRZSA-N 1 0 314.338 0.275 20 5 DCBDRO C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[NH2+]C1 ZINC000269199173 396393874 /nfs/dbraw/zinc/39/38/74/396393874.db2.gz LZGZDCDPMNPFGK-WDEREUQCSA-N 1 0 308.338 0.261 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288625865 396447945 /nfs/dbraw/zinc/44/79/45/396447945.db2.gz WDIJCNCQBLXCPY-LLVKDONJSA-N 1 0 322.365 0.754 20 5 DCBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000193345267 396449455 /nfs/dbraw/zinc/44/94/55/396449455.db2.gz ZUCSOWRKCPHPHP-UHFFFAOYSA-N 1 0 317.367 0.881 20 5 DCBDRO Cc1n[nH]c(C(=O)NCCC[N@@H+](C)CCN(C)C)c1[N+](=O)[O-] ZINC000290746028 396471684 /nfs/dbraw/zinc/47/16/84/396471684.db2.gz XYKATTDFIPTGLA-UHFFFAOYSA-N 1 0 312.374 0.240 20 5 DCBDRO [NH3+]CCn1cc(CNC(=O)Nc2ccccc2[N+](=O)[O-])nn1 ZINC000594640384 396491779 /nfs/dbraw/zinc/49/17/79/396491779.db2.gz LBLSEZIWRFNPIJ-UHFFFAOYSA-N 1 0 305.298 0.467 20 5 DCBDRO Cc1noc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1[N+](=O)[O-] ZINC000595304798 396584157 /nfs/dbraw/zinc/58/41/57/396584157.db2.gz CNGRXNSKVBMPGZ-VXGBXAGGSA-N 1 0 310.354 0.922 20 5 DCBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000293926988 396642611 /nfs/dbraw/zinc/64/26/11/396642611.db2.gz IXNUNDMPNXNSDW-AWEZNQCLSA-N 1 0 307.354 0.736 20 5 DCBDRO NS(=O)(=O)[C@@H]1CCCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595424695 396606411 /nfs/dbraw/zinc/60/64/11/396606411.db2.gz XZXFBEAUPPYZJW-LLVKDONJSA-N 1 0 317.342 0.987 20 5 DCBDRO CN1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715450 396617160 /nfs/dbraw/zinc/61/71/60/396617160.db2.gz UKROQKBRJJXARW-PWSUYJOCSA-N 1 0 309.322 0.155 20 5 DCBDRO O=C1C[C@H](C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CN1 ZINC000595524646 396623263 /nfs/dbraw/zinc/62/32/63/396623263.db2.gz ZFABFKQREAJCJA-NSHDSACASA-N 1 0 305.338 0.248 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000586757894 396663420 /nfs/dbraw/zinc/66/34/20/396663420.db2.gz ZLASTOBENYGNGA-NSHDSACASA-N 1 0 323.353 0.645 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCn1cc([N+](=O)[O-])cn1 ZINC000374419443 396663476 /nfs/dbraw/zinc/66/34/76/396663476.db2.gz HKWXDSMMDZARBV-BPLDGKMQSA-N 1 0 323.397 0.975 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC000586782149 396665331 /nfs/dbraw/zinc/66/53/31/396665331.db2.gz JWBBXCIUIJGNBI-LLVKDONJSA-N 1 0 322.369 0.170 20 5 DCBDRO COc1ccc(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595932435 396685600 /nfs/dbraw/zinc/68/56/00/396685600.db2.gz PGYBTKDXLXOZCR-GWCFXTLKSA-N 1 0 309.322 0.583 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860772 396696184 /nfs/dbraw/zinc/69/61/84/396696184.db2.gz LGNNASHSUNDVQG-HUUCEWRRSA-N 1 0 319.361 0.805 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000595984624 396703459 /nfs/dbraw/zinc/70/34/59/396703459.db2.gz XFHLWOVQCDVXHH-SECBINFHSA-N 1 0 304.310 0.513 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000589101396 396703924 /nfs/dbraw/zinc/70/39/24/396703924.db2.gz BTCKFPPQTQNYGC-SECBINFHSA-N 1 0 312.326 0.501 20 5 DCBDRO CC(C)(CO)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)CC1 ZINC000596129133 396721458 /nfs/dbraw/zinc/72/14/58/396721458.db2.gz NSUXVHDCVLRLNA-UHFFFAOYSA-N 1 0 322.365 0.587 20 5 DCBDRO Cc1cccc(C(=O)N(C)CCN2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000316386486 396794855 /nfs/dbraw/zinc/79/48/55/396794855.db2.gz KEIDTXFQEXIJOA-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000590553473 396796219 /nfs/dbraw/zinc/79/62/19/396796219.db2.gz DQFLJGVVBCTJHJ-QWRGUYRKSA-N 1 0 313.741 0.995 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000611217869 396836956 /nfs/dbraw/zinc/83/69/56/396836956.db2.gz QJUGYINDVMRDKB-OAHLLOKOSA-N 1 0 318.377 0.643 20 5 DCBDRO C[NH2+]C[C@](C)(O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000564093927 396809459 /nfs/dbraw/zinc/80/94/59/396809459.db2.gz QQWRJFVSMCVJQE-HNNXBMFYSA-N 1 0 308.382 0.687 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000591359527 396908719 /nfs/dbraw/zinc/90/87/19/396908719.db2.gz GVWGIDKPUFKNMD-LLVKDONJSA-N 1 0 320.353 0.183 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000591361245 396909204 /nfs/dbraw/zinc/90/92/04/396909204.db2.gz NSCXPCSRFYOAHY-SNVBAGLBSA-N 1 0 308.342 0.169 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591419201 396916227 /nfs/dbraw/zinc/91/62/27/396916227.db2.gz RHUORIGHXAPLTJ-JTQLQIEISA-N 1 0 320.349 0.549 20 5 DCBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc([N+](=O)[O-])c1C ZINC000600808102 396945960 /nfs/dbraw/zinc/94/59/60/396945960.db2.gz HUSRRYLHIMNBFQ-LBPRGKRZSA-N 1 0 323.349 0.708 20 5 DCBDRO NC(=O)[C@]1([NH2+]CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000572175394 397030435 /nfs/dbraw/zinc/03/04/35/397030435.db2.gz IMBIYYLKSDWDKN-AWEZNQCLSA-N 1 0 322.321 0.157 20 5 DCBDRO CSc1cccc(C(=O)N[C@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000597652679 397045052 /nfs/dbraw/zinc/04/50/52/397045052.db2.gz DRRPSIAVOQSWKU-VIFPVBQESA-N 1 0 313.379 0.969 20 5 DCBDRO CCOc1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000597654256 397046604 /nfs/dbraw/zinc/04/66/04/397046604.db2.gz REUWOKXYMOSIOJ-LLVKDONJSA-N 1 0 311.338 0.646 20 5 DCBDRO C[C@H]1C[C@H]([NH3+])CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601330530 397060699 /nfs/dbraw/zinc/06/06/99/397060699.db2.gz UQCMBKJGGQLCAA-JQWIXIFHSA-N 1 0 304.350 0.905 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000592294597 397144463 /nfs/dbraw/zinc/14/44/63/397144463.db2.gz LCIILPGEVMMEPB-NSHDSACASA-N 1 0 320.349 0.440 20 5 DCBDRO C[C@@H](CCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000597995026 397147075 /nfs/dbraw/zinc/14/70/75/397147075.db2.gz DFIFUYJXQUTWMC-NSHDSACASA-N 1 0 322.365 0.781 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592308514 397149701 /nfs/dbraw/zinc/14/97/01/397149701.db2.gz NMBBFDOYJKANKE-QPUJVOFHSA-N 1 0 319.321 0.659 20 5 DCBDRO CNc1ccc(C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592310768 397150742 /nfs/dbraw/zinc/15/07/42/397150742.db2.gz YNFSDBNRPMYHOT-NOZJJQNGSA-N 1 0 308.338 0.825 20 5 DCBDRO CCCc1n[nH]c(C(=O)N2CCCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000592342840 397156632 /nfs/dbraw/zinc/15/66/32/397156632.db2.gz HWOXULMLYNPFRJ-VIFPVBQESA-N 1 0 311.342 0.460 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000592381550 397164125 /nfs/dbraw/zinc/16/41/25/397164125.db2.gz UFUQPYIRGIWRKB-VHSXEESVSA-N 1 0 312.351 0.362 20 5 DCBDRO C[C@H]1CN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000592473430 397185766 /nfs/dbraw/zinc/18/57/66/397185766.db2.gz IVPPBUCDVYXBTA-NSHDSACASA-N 1 0 313.379 0.662 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000598219413 397190172 /nfs/dbraw/zinc/19/01/72/397190172.db2.gz LNUIYRFHHHPGKX-LLVKDONJSA-N 1 0 322.369 0.710 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000592555647 397213089 /nfs/dbraw/zinc/21/30/89/397213089.db2.gz YMANBGHVFYUGQR-ZDUSSCGKSA-N 1 0 321.333 0.501 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567594 397218125 /nfs/dbraw/zinc/21/81/25/397218125.db2.gz DPAQKSLAUJBGKX-LLVKDONJSA-N 1 0 307.354 0.972 20 5 DCBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000574029330 397228798 /nfs/dbraw/zinc/22/87/98/397228798.db2.gz VFJOETPVZRCEIN-GFCCVEGCSA-N 1 0 307.354 0.878 20 5 DCBDRO CC1(C)CC[C@@H](CO)[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000598648088 397267720 /nfs/dbraw/zinc/26/77/20/397267720.db2.gz NQBBXNVEEQOEHK-WCQYABFASA-N 1 0 312.370 0.635 20 5 DCBDRO CN(C(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000598663603 397269808 /nfs/dbraw/zinc/26/98/08/397269808.db2.gz DXTYFKJULRZGPE-LBPRGKRZSA-N 1 0 321.337 0.537 20 5 DCBDRO CC[NH2+]CCCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598663574 397270116 /nfs/dbraw/zinc/27/01/16/397270116.db2.gz WGBWRBUICKEMSD-UHFFFAOYSA-N 1 0 323.353 0.832 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666352 397270837 /nfs/dbraw/zinc/27/08/37/397270837.db2.gz XWGQFSSSEXBWJK-SECBINFHSA-N 1 0 309.326 0.427 20 5 DCBDRO CCC[NH2+]CCNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598665227 397271191 /nfs/dbraw/zinc/27/11/91/397271191.db2.gz MYBOPBWQIZAKQL-UHFFFAOYSA-N 1 0 323.353 0.832 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NCC1C[NH2+]C1 ZINC000598664667 397271395 /nfs/dbraw/zinc/27/13/95/397271395.db2.gz IVYWRLDSJWBRLU-UHFFFAOYSA-N 1 0 307.310 0.052 20 5 DCBDRO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000382962394 397277422 /nfs/dbraw/zinc/27/74/22/397277422.db2.gz OZFCEPQNAQHAEF-LLVKDONJSA-N 1 0 319.365 0.779 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)C2CCCCC2)c1 ZINC000386388347 397288193 /nfs/dbraw/zinc/28/81/93/397288193.db2.gz STUNWFMBJGVFKT-KBPBESRZSA-N 1 0 312.370 0.683 20 5 DCBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914106 397306824 /nfs/dbraw/zinc/30/68/24/397306824.db2.gz XXKMTNQJVNXFIK-NSHDSACASA-N 1 0 306.322 0.790 20 5 DCBDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598916274 397307849 /nfs/dbraw/zinc/30/78/49/397307849.db2.gz WBDOBMDYTSAEET-AWEZNQCLSA-N 1 0 306.322 0.731 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCN2CC[C@@H](O)C2)n1 ZINC000599085084 397332798 /nfs/dbraw/zinc/33/27/98/397332798.db2.gz LPPVLBJDGXXRKS-HZSPNIEDSA-N 1 0 323.397 0.931 20 5 DCBDRO C[C@@H]1[C@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H](C)C[N@@H+]1C ZINC000593188438 397336722 /nfs/dbraw/zinc/33/67/22/397336722.db2.gz HFSFOCBOWUOVDK-TUAOUCFPSA-N 1 0 322.365 0.696 20 5 DCBDRO C[C@@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599110542 397340176 /nfs/dbraw/zinc/34/01/76/397340176.db2.gz WRFIIUZKNWCVAL-PHIMTYICSA-N 1 0 322.369 0.408 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602517354 397426473 /nfs/dbraw/zinc/42/64/73/397426473.db2.gz ZGLZAUJGKLAVMU-UHFFFAOYSA-N 1 0 318.377 0.991 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000614418972 397434782 /nfs/dbraw/zinc/43/47/82/397434782.db2.gz MSKXPMNCBHGSDF-NSHDSACASA-N 1 0 304.310 0.295 20 5 DCBDRO COCCN(CCn1c(C)ncc1[N+](=O)[O-])CC(=O)N(C)C ZINC000602767629 397479456 /nfs/dbraw/zinc/47/94/56/397479456.db2.gz VFSAFPXXYBPIBT-UHFFFAOYSA-N 1 0 313.358 0.136 20 5 DCBDRO [NH3+]Cc1ccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c(F)c1 ZINC000593917577 397479565 /nfs/dbraw/zinc/47/95/65/397479565.db2.gz WHIJRQHZGIYJOX-UHFFFAOYSA-N 1 0 308.273 0.101 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000593919548 397480338 /nfs/dbraw/zinc/48/03/38/397480338.db2.gz UJCOTDDXDBIWBD-USWWRNFRSA-N 1 0 323.353 0.819 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000602773458 397480602 /nfs/dbraw/zinc/48/06/02/397480602.db2.gz TWWMVCBLAODCKS-UONOGXRCSA-N 1 0 323.397 0.631 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000602781314 397483525 /nfs/dbraw/zinc/48/35/25/397483525.db2.gz SJBZVSRRNMRKLU-CQSZACIVSA-N 1 0 323.397 0.754 20 5 DCBDRO COc1ccc(CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000578787548 397486373 /nfs/dbraw/zinc/48/63/73/397486373.db2.gz SCGFXEQGWBPVOI-NEPJUHHUSA-N 1 0 320.349 0.347 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000602844799 397499469 /nfs/dbraw/zinc/49/94/69/397499469.db2.gz JINHKCLZCRNDHQ-UHFFFAOYSA-N 1 0 322.369 0.589 20 5 DCBDRO CC(C)(C(=O)N[C@H](C[NH3+])C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000594450729 397553671 /nfs/dbraw/zinc/55/36/71/397553671.db2.gz WQILDBSGESJLFU-SSDOTTSWSA-N 1 0 309.248 0.532 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000603052671 397558814 /nfs/dbraw/zinc/55/88/14/397558814.db2.gz LZJWORAEHMEJPO-GFCCVEGCSA-N 1 0 311.313 0.920 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000579831581 397594317 /nfs/dbraw/zinc/59/43/17/397594317.db2.gz AWPMLBAHMQSCIX-GFCCVEGCSA-N 1 0 312.351 0.364 20 5 DCBDRO C[C@@H](C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000610550419 397831872 /nfs/dbraw/zinc/83/18/72/397831872.db2.gz BWBTUHDLYUPHCH-QWRGUYRKSA-N 1 0 307.354 0.953 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)NCC[NH2+][C@@H]2CCOC2)c1 ZINC000088694841 158094713 /nfs/dbraw/zinc/09/47/13/158094713.db2.gz DGBLPDCSNHVPCK-SNVBAGLBSA-N 1 0 315.351 0.252 20 5 DCBDRO COc1cc(C(=O)NCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000125741075 158258749 /nfs/dbraw/zinc/25/87/49/158258749.db2.gz AHACOLANUBQZFZ-UHFFFAOYSA-N 1 0 308.338 0.238 20 5 DCBDRO COc1cc(S(=O)(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000178945514 158466721 /nfs/dbraw/zinc/46/67/21/158466721.db2.gz SCSKLYFMDXAYLE-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO COc1cc(S(=O)(=O)NC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000262752657 158838939 /nfs/dbraw/zinc/83/89/39/158838939.db2.gz NXWWRFVRNCAZSN-UHFFFAOYSA-N 1 0 315.351 0.634 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])c(F)c1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368386117 159390968 /nfs/dbraw/zinc/39/09/68/159390968.db2.gz UMRQLDUEVLTKGD-IUCAKERBSA-N 1 0 315.276 0.929 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000263732805 287129640 /nfs/dbraw/zinc/12/96/40/287129640.db2.gz HCGRQDHXOZYDCY-UHFFFAOYSA-N 1 0 311.338 0.668 20 5 DCBDRO C[N@@H+]1CC[C@H](NS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000355617832 287185329 /nfs/dbraw/zinc/18/53/29/287185329.db2.gz KGPFWOMICDVJBH-LBPRGKRZSA-N 1 0 313.379 0.761 20 5 DCBDRO [NH3+]CCN(CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420303093 287287684 /nfs/dbraw/zinc/28/76/84/287287684.db2.gz GXEHXYPZMFRIKP-UHFFFAOYSA-N 1 0 316.745 0.440 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000268146261 415165485 /nfs/dbraw/zinc/16/54/85/415165485.db2.gz FDDQZUNDVIHAED-MFKMUULPSA-N 1 0 320.349 0.355 20 5 DCBDRO O=[N+]([O-])c1ccccc1OCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352520086 415205815 /nfs/dbraw/zinc/20/58/15/415205815.db2.gz VAZGNQJPDUIAGX-AWEZNQCLSA-N 1 0 320.393 0.953 20 5 DCBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269176576 415249331 /nfs/dbraw/zinc/24/93/31/415249331.db2.gz YHZGJYHEGGIOTP-VIFPVBQESA-N 1 0 307.306 0.787 20 5 DCBDRO O=C(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)NC[C@H]1CC[NH2+]C1 ZINC000342752185 415279479 /nfs/dbraw/zinc/27/94/79/415279479.db2.gz GWDCSQFBNYEEGL-JTQLQIEISA-N 1 0 321.333 0.634 20 5 DCBDRO CCCN(CC[NH+]1CCCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000342794898 415298544 /nfs/dbraw/zinc/29/85/44/415298544.db2.gz MGNWIFBLGNFKLO-UHFFFAOYSA-N 1 0 324.385 0.911 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352805148 415329003 /nfs/dbraw/zinc/32/90/03/415329003.db2.gz RCZJJTHHKAQHAO-UONOGXRCSA-N 1 0 323.349 0.923 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352807646 415329975 /nfs/dbraw/zinc/32/99/75/415329975.db2.gz WYIHYCJQYFLWPO-KBPBESRZSA-N 1 0 323.349 0.923 20 5 DCBDRO C[C@@]1(CCCO)CCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352884920 415359574 /nfs/dbraw/zinc/35/95/74/415359574.db2.gz BQRXUOPYJPBAMQ-KBPBESRZSA-N 1 0 312.370 0.779 20 5 DCBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])c[nH]1 ZINC000342950150 415373728 /nfs/dbraw/zinc/37/37/28/415373728.db2.gz IODJTMOEYYXJCE-LLVKDONJSA-N 1 0 310.354 0.890 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])CC1 ZINC000343092304 415443059 /nfs/dbraw/zinc/44/30/59/415443059.db2.gz ATYVNBSPCJRVKV-UHFFFAOYSA-N 1 0 310.358 0.075 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353221112 415480213 /nfs/dbraw/zinc/48/02/13/415480213.db2.gz WVRZMKJFLOXWRJ-RKDXNWHRSA-N 1 0 317.371 0.217 20 5 DCBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3(CO)COC3)CC2)c1 ZINC000089103586 415518456 /nfs/dbraw/zinc/51/84/56/415518456.db2.gz QRFCRIZQBZCTKF-UHFFFAOYSA-N 1 0 307.350 0.726 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000286191464 415624397 /nfs/dbraw/zinc/62/43/97/415624397.db2.gz QWMOCBVEBNHUFN-UHFFFAOYSA-N 1 0 310.329 0.944 20 5 DCBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000343805430 415734045 /nfs/dbraw/zinc/73/40/45/415734045.db2.gz KOAGKHNFRKTIEG-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO C[C@H](O)C[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931042 415739926 /nfs/dbraw/zinc/73/99/26/415739926.db2.gz UVGOGMQIQBAONI-AAEUAGOBSA-N 1 0 314.338 0.010 20 5 DCBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000291780750 415836753 /nfs/dbraw/zinc/83/67/53/415836753.db2.gz FOCYUGMSNIQUTD-LLVKDONJSA-N 1 0 310.354 0.601 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000290261438 415783114 /nfs/dbraw/zinc/78/31/14/415783114.db2.gz XNRVDVIVDWDGNV-LBPRGKRZSA-N 1 0 307.354 0.639 20 5 DCBDRO C[NH2+]CCCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000121526696 415808548 /nfs/dbraw/zinc/80/85/48/415808548.db2.gz DINOZKQGFPEIPD-UHFFFAOYSA-N 1 0 304.306 0.776 20 5 DCBDRO COC[C@]1(C(=O)OC)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000296380340 415923983 /nfs/dbraw/zinc/92/39/83/415923983.db2.gz RZQWBTPNTCJCOW-ZDUSSCGKSA-N 1 0 312.326 0.303 20 5 DCBDRO Cc1nc(NCCC[N@@H+]2CCC[C@@H]2C(N)=O)ncc1[N+](=O)[O-] ZINC000297187557 415955512 /nfs/dbraw/zinc/95/55/12/415955512.db2.gz QLGAHXVTNAAACN-SNVBAGLBSA-N 1 0 308.342 0.445 20 5 DCBDRO Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000297941396 415984312 /nfs/dbraw/zinc/98/43/12/415984312.db2.gz SBBQZLAPKMFEQV-JTQLQIEISA-N 1 0 308.338 0.908 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000299147551 416055390 /nfs/dbraw/zinc/05/53/90/416055390.db2.gz JXKAQWNDYFPYMR-MNOVXSKESA-N 1 0 307.354 0.993 20 5 DCBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173365836 416056884 /nfs/dbraw/zinc/05/68/84/416056884.db2.gz LKWOWJOBNYTJIQ-BZPMIXESSA-N 1 0 309.370 0.321 20 5 DCBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000357499967 416089042 /nfs/dbraw/zinc/08/90/42/416089042.db2.gz GDGFBCVUWQLWRX-LLVKDONJSA-N 1 0 307.354 0.865 20 5 DCBDRO CC[N@@H+]1C[C@H](C)N(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000345740820 416142471 /nfs/dbraw/zinc/14/24/71/416142471.db2.gz PLEZMLORSMVFCE-NEPJUHHUSA-N 1 0 324.385 0.915 20 5 DCBDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@H]2C1 ZINC000339385216 416157373 /nfs/dbraw/zinc/15/73/73/416157373.db2.gz NKFXJIPSDLQUPQ-WCQYABFASA-N 1 0 309.370 0.623 20 5 DCBDRO Cc1c(NC(=O)[C@H](C)N2CCO[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000358157220 416204059 /nfs/dbraw/zinc/20/40/59/416204059.db2.gz VBFQWZRNYVFWLS-RYUDHWBXSA-N 1 0 322.365 0.890 20 5 DCBDRO CCOC(=O)c1ccnc(NC[C@@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358360212 416229724 /nfs/dbraw/zinc/22/97/24/416229724.db2.gz VQYSAOJPHVPCNV-AWEZNQCLSA-N 1 0 324.337 0.645 20 5 DCBDRO CC1(C)CCC[N@H+](CCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000331289183 416303291 /nfs/dbraw/zinc/30/32/91/416303291.db2.gz JDSWGKONNLWWKO-UHFFFAOYSA-N 1 0 310.358 0.425 20 5 DCBDRO Cc1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359310410 416321228 /nfs/dbraw/zinc/32/12/28/416321228.db2.gz SAZONPAPXKIFOR-PHIMTYICSA-N 1 0 311.363 0.743 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000415414585 416341397 /nfs/dbraw/zinc/34/13/97/416341397.db2.gz FYWBAQDXUIXCCF-VIFPVBQESA-N 1 0 324.337 0.738 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000415451056 416343912 /nfs/dbraw/zinc/34/39/12/416343912.db2.gz KLYKADFNPNHZJK-NSHDSACASA-N 1 0 306.322 0.695 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@]1(CO)CCOC1 ZINC000359839666 416362403 /nfs/dbraw/zinc/36/24/03/416362403.db2.gz YEXZPYGDOTXDPR-OAHLLOKOSA-N 1 0 323.349 0.925 20 5 DCBDRO CCc1nn(C)c(NCCN2CC[NH+](CC)CC2)c1[N+](=O)[O-] ZINC000360881312 416415376 /nfs/dbraw/zinc/41/53/76/416415376.db2.gz PWCLYZFRISGVRV-UHFFFAOYSA-N 1 0 310.402 0.940 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2noc(NC[C@@H]3C[NH2+]C[C@@H]3O)n2)cc1 ZINC000420259542 416417907 /nfs/dbraw/zinc/41/79/07/416417907.db2.gz YUJYMTFYVZMFEI-ONGXEEELSA-N 1 0 305.294 0.637 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000418866709 416392357 /nfs/dbraw/zinc/39/23/57/416392357.db2.gz LLCSNPMVWWEUSK-ZDUSSCGKSA-N 1 0 322.365 0.353 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000361081251 416420208 /nfs/dbraw/zinc/42/02/08/416420208.db2.gz QMKUSKOCIAHIPD-QWRGUYRKSA-N 1 0 307.354 0.755 20 5 DCBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]C[C@@H]2O)cc([N+](=O)[O-])c1C ZINC000423668647 416536875 /nfs/dbraw/zinc/53/68/75/416536875.db2.gz KNRQGWSOJWFXLW-PWSUYJOCSA-N 1 0 309.322 0.222 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C)CCC[NH3+])ccc1[N+](=O)[O-] ZINC000423671916 416538746 /nfs/dbraw/zinc/53/87/46/416538746.db2.gz XRFPYYIHQDUMPJ-LLVKDONJSA-N 1 0 322.365 0.877 20 5 DCBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc([N+](=O)[O-])c1C ZINC000423728017 416551348 /nfs/dbraw/zinc/55/13/48/416551348.db2.gz VQYIVIQTVDLDCR-GFCCVEGCSA-N 1 0 322.365 0.545 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@H]1C[NH2+]CCO1 ZINC000423983616 416599375 /nfs/dbraw/zinc/59/93/75/416599375.db2.gz ANDRCUGJENFBFU-LLVKDONJSA-N 1 0 313.741 0.895 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC([NH2+]CCO)CC2)n1 ZINC000439165813 416608154 /nfs/dbraw/zinc/60/81/54/416608154.db2.gz JGJJYXPQOCXADW-UHFFFAOYSA-N 1 0 324.337 0.327 20 5 DCBDRO Nc1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)nc1[N+](=O)[O-] ZINC000596130864 416578502 /nfs/dbraw/zinc/57/85/02/416578502.db2.gz ZUJIZMRJWNHWAS-NSHDSACASA-N 1 0 321.381 1.485 20 5 DCBDRO CCCc1n[nH]c(C(=O)NCCOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000539749237 416581452 /nfs/dbraw/zinc/58/14/52/416581452.db2.gz BOTZXKBEFPTONA-UHFFFAOYSA-N 1 0 313.358 0.578 20 5 DCBDRO CNc1nccc(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c1[N+](=O)[O-] ZINC000599992615 416617214 /nfs/dbraw/zinc/61/72/14/416617214.db2.gz YXTKYJIYBFKJBK-URLYPYJESA-N 1 0 305.338 0.664 20 5 DCBDRO Cc1nc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC000424416885 416641042 /nfs/dbraw/zinc/64/10/42/416641042.db2.gz WBPSZMZTUWJIDZ-WDEREUQCSA-N 1 0 303.326 0.358 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@H]21 ZINC000548714578 416690987 /nfs/dbraw/zinc/69/09/87/416690987.db2.gz XXDSEARAUUIWQS-ZYHUDNBSSA-N 1 0 319.365 1.128 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548715832 416691888 /nfs/dbraw/zinc/69/18/88/416691888.db2.gz CMTRRALSBIPLBA-SNVBAGLBSA-N 1 0 307.354 0.986 20 5 DCBDRO CC1(C)CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@@H+]1CCO ZINC000614829313 416711750 /nfs/dbraw/zinc/71/17/50/416711750.db2.gz RAIQCXQSDJALNK-UHFFFAOYSA-N 1 0 322.365 0.587 20 5 DCBDRO C[NH2+]C[C@@](C)(O)CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000517381884 416800822 /nfs/dbraw/zinc/80/08/22/416800822.db2.gz PBPVYCYBCDCLDA-BXUZGUMPSA-N 1 0 309.370 0.446 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444679326 416858846 /nfs/dbraw/zinc/85/88/46/416858846.db2.gz ALLJPHCNSAUGNF-LLVKDONJSA-N 1 0 319.365 0.970 20 5 DCBDRO CNc1nccc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000564226408 416889144 /nfs/dbraw/zinc/88/91/44/416889144.db2.gz WYGJUSFRUBRNHW-CMPLNLGQSA-N 1 0 319.365 1.198 20 5 DCBDRO CNc1nccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000561157741 416855987 /nfs/dbraw/zinc/85/59/87/416855987.db2.gz YESCXRVCABWKNU-LLVKDONJSA-N 1 0 321.381 1.493 20 5 DCBDRO CCc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000519542956 416913583 /nfs/dbraw/zinc/91/35/83/416913583.db2.gz YXTOZWMXMPIPBF-UHFFFAOYSA-N 1 0 320.349 0.319 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000428984983 416938457 /nfs/dbraw/zinc/93/84/57/416938457.db2.gz JFGVAWDIKKCVCA-UWVGGRQHSA-N 1 0 322.321 0.352 20 5 DCBDRO CCCN(CC[NH+](C)C)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000565181126 416939354 /nfs/dbraw/zinc/93/93/54/416939354.db2.gz NCABEKLCJMCBKV-UHFFFAOYSA-N 1 0 309.370 1.445 20 5 DCBDRO [NH3+]CCCOC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000521620042 417019433 /nfs/dbraw/zinc/01/94/33/417019433.db2.gz GKLQKKVRDLEPMV-UHFFFAOYSA-N 1 0 324.337 0.665 20 5 DCBDRO O=C(C[NH2+]C[C@@H]1CCCO1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000521861040 417028461 /nfs/dbraw/zinc/02/84/61/417028461.db2.gz VGDRDAYUVYXFMN-AWEZNQCLSA-N 1 0 323.349 0.858 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489692 416986220 /nfs/dbraw/zinc/98/62/20/416986220.db2.gz BTLZWKFIQPWBOP-ZIAGYGMSSA-N 1 0 304.350 0.381 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000521462872 417012121 /nfs/dbraw/zinc/01/21/21/417012121.db2.gz PCSPYSHJEYGTKC-YUMQZZPRSA-N 1 0 310.335 0.040 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000447900556 417036867 /nfs/dbraw/zinc/03/68/67/417036867.db2.gz CQACBOGSWHCMQP-ZIAGYGMSSA-N 1 0 323.349 0.971 20 5 DCBDRO CN(C(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000447904263 417039325 /nfs/dbraw/zinc/03/93/25/417039325.db2.gz PKBUCXAZTSAVNH-UONOGXRCSA-N 1 0 323.349 0.687 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447918432 417042667 /nfs/dbraw/zinc/04/26/67/417042667.db2.gz BDHSEHYNPMYWLC-WCQYABFASA-N 1 0 323.349 0.971 20 5 DCBDRO [NH3+]C[C@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920815 417078629 /nfs/dbraw/zinc/07/86/29/417078629.db2.gz WMVKHRUTKYZERV-RISCZKNCSA-N 1 0 304.350 0.981 20 5 DCBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CCOC(C)(C)C1 ZINC000434712182 287356606 /nfs/dbraw/zinc/35/66/06/287356606.db2.gz URARAODDNKCRCX-UHFFFAOYSA-N 1 0 311.386 0.834 20 5 DCBDRO C[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC2(CCC2)O1 ZINC000568981384 417200801 /nfs/dbraw/zinc/20/08/01/417200801.db2.gz RSOBCJJQEXRFET-WCQYABFASA-N 1 0 310.354 0.796 20 5 DCBDRO Cc1nc(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)ncc1[N+](=O)[O-] ZINC000450299497 417215210 /nfs/dbraw/zinc/21/52/10/417215210.db2.gz BBOPBIFJBABFBN-LLVKDONJSA-N 1 0 322.369 0.693 20 5 DCBDRO CC(C)OC[C@@H](CO)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000433164982 417236913 /nfs/dbraw/zinc/23/69/13/417236913.db2.gz GZGOSSJDUPDIJX-CYBMUJFWSA-N 1 0 313.354 0.474 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000415283426 417355049 /nfs/dbraw/zinc/35/50/49/417355049.db2.gz NHXUDENYOQJCLK-UHFFFAOYSA-N 1 0 306.322 0.582 20 5 DCBDRO CO[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1O ZINC000451754148 417392766 /nfs/dbraw/zinc/39/27/66/417392766.db2.gz CRZZLSGTPZGKOL-ZIAGYGMSSA-N 1 0 323.349 0.923 20 5 DCBDRO CN(C)C(=O)N[C@@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1 ZINC000451994620 417427658 /nfs/dbraw/zinc/42/76/58/417427658.db2.gz OEHNLWMTMLFGJA-LLVKDONJSA-N 1 0 310.358 0.527 20 5 DCBDRO CNc1nc(C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000455995860 417621644 /nfs/dbraw/zinc/62/16/44/417621644.db2.gz NFDUSARQYAVESX-CYBMUJFWSA-N 1 0 311.342 0.074 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000440860251 287409966 /nfs/dbraw/zinc/40/99/66/287409966.db2.gz OJCFHYJSZMGZSJ-SSDOTTSWSA-N 1 0 321.330 0.758 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000183970972 261117380 /nfs/dbraw/zinc/11/73/80/261117380.db2.gz NDDNTOXADMPJGY-UHFFFAOYSA-N 1 0 311.338 0.404 20 5 DCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354385534 261212150 /nfs/dbraw/zinc/21/21/50/261212150.db2.gz IMFARWSFGMJYHE-LLVKDONJSA-N 1 0 309.370 0.679 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CCOCC3)CC2)nc1 ZINC000354588170 261241659 /nfs/dbraw/zinc/24/16/59/261241659.db2.gz PMAWTUDTXQUAIO-UHFFFAOYSA-N 1 0 307.354 0.933 20 5 DCBDRO COC(=O)COc1ccc(CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000355606723 261352965 /nfs/dbraw/zinc/35/29/65/261352965.db2.gz MRMWTBGADHAOJM-UHFFFAOYSA-N 1 0 323.349 0.894 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000361032252 261893542 /nfs/dbraw/zinc/89/35/42/261893542.db2.gz PPNJYLRECDIITQ-UHFFFAOYSA-N 1 0 316.321 0.779 20 5 DCBDRO C[C@H](O)C[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411742579 262175783 /nfs/dbraw/zinc/17/57/83/262175783.db2.gz DXGNTFNJFNTTPI-NSHDSACASA-N 1 0 311.338 0.599 20 5 DCBDRO C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1cccc([N+](=O)[O-])c1 ZINC000417125204 262246739 /nfs/dbraw/zinc/24/67/39/262246739.db2.gz AYGFOKNUROKDML-SMDDNHRTSA-N 1 0 321.381 0.859 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000417213443 262247811 /nfs/dbraw/zinc/24/78/11/262247811.db2.gz CGAZOUHCUPVTPP-ZDUSSCGKSA-N 1 0 308.338 0.506 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)NCCc2ccccc2[N+](=O)[O-])CCCO1 ZINC000417771401 262261297 /nfs/dbraw/zinc/26/12/97/262261297.db2.gz VAZHFXDHVCFLAB-CYBMUJFWSA-N 1 0 322.365 0.897 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000418776745 262289315 /nfs/dbraw/zinc/28/93/15/262289315.db2.gz GPVQDJMTDDFGBO-JQWIXIFHSA-N 1 0 320.349 0.592 20 5 DCBDRO C[NH2+]CCNC(=O)C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000419171194 262316262 /nfs/dbraw/zinc/31/62/62/262316262.db2.gz XGNVBDWQRYOWBG-UHFFFAOYSA-N 1 0 314.729 0.200 20 5 DCBDRO CC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000420985386 262389481 /nfs/dbraw/zinc/38/94/81/262389481.db2.gz KXMIQKATRGUDBU-TZMCWYRMSA-N 1 0 323.349 0.545 20 5 DCBDRO C[NH2+]CCCNC(=O)C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419267346 271280540 /nfs/dbraw/zinc/28/05/40/271280540.db2.gz ISGWJIJODBLKST-NSHDSACASA-N 1 0 322.365 0.806 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000429017051 271444603 /nfs/dbraw/zinc/44/46/03/271444603.db2.gz BYRGDYYZIUADRA-SNVBAGLBSA-N 1 0 308.338 0.568 20 5 DCBDRO C[C@@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)[C@H](C)[NH3+] ZINC000449601966 271854896 /nfs/dbraw/zinc/85/48/96/271854896.db2.gz NWRLOVOIHMHMCB-DTWKUNHWSA-N 1 0 309.322 0.760 20 5 DCBDRO CC(C)[C@H]1CN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC[N@@H+]1C ZINC000487074036 272037315 /nfs/dbraw/zinc/03/73/15/272037315.db2.gz AOCRXDQAOGQFTQ-GFCCVEGCSA-N 1 0 307.354 0.865 20 5 DCBDRO CC(C)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cnc2N)CC[N@@H+]1C ZINC000489348525 272060699 /nfs/dbraw/zinc/06/06/99/272060699.db2.gz MOSKGUQWNDWMMW-GFCCVEGCSA-N 1 0 307.354 0.984 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493396885 272186076 /nfs/dbraw/zinc/18/60/76/272186076.db2.gz YXKOHJZWIIKWBM-HSBHDXMMSA-N 1 0 322.340 0.767 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000514744702 272406497 /nfs/dbraw/zinc/40/64/97/272406497.db2.gz NYKWBSPCJPRFJS-JTQLQIEISA-N 1 0 323.353 0.094 20 5 DCBDRO C[C@@H]1CC[N@H+](CCNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C1 ZINC000525292569 272574472 /nfs/dbraw/zinc/57/44/72/272574472.db2.gz YMXWJNVQPPDUAK-LLVKDONJSA-N 1 0 309.370 0.984 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(c3c([N+](=O)[O-])c(C)nn3C)C2)CC1 ZINC000106478499 276198787 /nfs/dbraw/zinc/19/87/87/276198787.db2.gz BGKKWUAMWPKCIB-CYBMUJFWSA-N 1 0 322.413 0.853 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000428194882 276641842 /nfs/dbraw/zinc/64/18/42/276641842.db2.gz GQDNTCWDLNLTHQ-ZJUUUORDSA-N 1 0 310.358 0.305 20 5 DCBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000178947340 277001864 /nfs/dbraw/zinc/00/18/64/277001864.db2.gz XHVLSMZEFXKIEO-MRVPVSSYSA-N 1 0 303.315 0.716 20 5 DCBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000236750366 277749794 /nfs/dbraw/zinc/74/97/94/277749794.db2.gz QAFOBKYPWLNMMM-LBPRGKRZSA-N 1 0 310.354 0.588 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000262541762 279396244 /nfs/dbraw/zinc/39/62/44/279396244.db2.gz VNXNYDWASPOSES-VIFPVBQESA-N 1 0 322.321 0.174 20 5 DCBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000262452545 279516016 /nfs/dbraw/zinc/51/60/16/279516016.db2.gz KBNBGOGXEAYURC-SECBINFHSA-N 1 0 317.367 0.880 20 5 DCBDRO [NH3+]CC[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C(F)(F)F ZINC000564841113 288775284 /nfs/dbraw/zinc/77/52/84/288775284.db2.gz NRRVHEDWFUAMDM-QMMMGPOBSA-N 1 0 309.248 0.577 20 5 DCBDRO COc1ccc(NC(=O)c2cn(CCC[NH3+])nn2)cc1[N+](=O)[O-] ZINC000565769867 288876493 /nfs/dbraw/zinc/87/64/93/288876493.db2.gz VJQQPTPLHWEBMV-UHFFFAOYSA-N 1 0 320.309 0.796 20 5 DCBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc(F)cc1[N+](=O)[O-] ZINC000582024850 333171068 /nfs/dbraw/zinc/17/10/68/333171068.db2.gz OGFFYARAIHNYAS-OAHLLOKOSA-N 1 0 323.324 0.920 20 5 DCBDRO C[NH+](C)CCn1cc(NC(=O)c2c[nH]nc2[N+](=O)[O-])ccc1=O ZINC000571296064 333712425 /nfs/dbraw/zinc/71/24/25/333712425.db2.gz QLFUGCCECVNVJN-UHFFFAOYSA-N 1 0 320.309 0.294 20 5 DCBDRO C[C@H](O)CC(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393623918 337093280 /nfs/dbraw/zinc/09/32/80/337093280.db2.gz UNXYNLIKHNKZNE-JQWIXIFHSA-N 1 0 300.359 0.539 20 5 DCBDRO COc1ccc(CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)cc1[N+](=O)[O-] ZINC000584588390 337370216 /nfs/dbraw/zinc/37/02/16/337370216.db2.gz FTTPZLIOHDNBFF-WDEREUQCSA-N 1 0 309.322 0.597 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577749860 341934366 /nfs/dbraw/zinc/93/43/66/341934366.db2.gz ZEUXOSCBQUQHRJ-OLZOCXBDSA-N 1 0 321.381 0.948 20 5 DCBDRO C[C@@H](CNc1ccc2ncc([N+](=O)[O-])n2n1)N1CC[NH+](C)CC1 ZINC000302008290 534091638 /nfs/dbraw/zinc/09/16/38/534091638.db2.gz VEZFSEROMFKIAY-NSHDSACASA-N 1 0 319.369 0.685 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415865967 534366418 /nfs/dbraw/zinc/36/64/18/534366418.db2.gz JIQIQQYVIAASFM-MNOVXSKESA-N 1 0 318.333 0.601 20 5 DCBDRO CCOC(=O)c1cc(C(=O)N2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000236989681 521429040 /nfs/dbraw/zinc/42/90/40/521429040.db2.gz MKQISGRZEIFLCF-UHFFFAOYSA-N 1 0 307.306 0.817 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000160574508 522501116 /nfs/dbraw/zinc/50/11/16/522501116.db2.gz VBNLUWNLNDFZPZ-JTQLQIEISA-N 1 0 309.322 0.803 20 5 DCBDRO C[N@H+](CCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCC1 ZINC000269749424 522851679 /nfs/dbraw/zinc/85/16/79/522851679.db2.gz ZKYUWMHVMZNLRP-UHFFFAOYSA-N 1 0 322.365 0.747 20 5 DCBDRO COc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237129868 523694728 /nfs/dbraw/zinc/69/47/28/523694728.db2.gz RVDKIKBETKVNFG-UHFFFAOYSA-N 1 0 322.365 0.629 20 5 DCBDRO COCC[N@H+](CCO)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000266555378 523705128 /nfs/dbraw/zinc/70/51/28/523705128.db2.gz VQIMQXPZWBRDDI-UHFFFAOYSA-N 1 0 314.338 0.923 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000267237746 523874366 /nfs/dbraw/zinc/87/43/66/523874366.db2.gz ICEKWOOPJMTWPO-JTQLQIEISA-N 1 0 308.338 0.628 20 5 DCBDRO C[C@H]1CSCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000190422408 524752176 /nfs/dbraw/zinc/75/21/76/524752176.db2.gz LBCVBQURENLKFH-PWSUYJOCSA-N 1 0 300.384 0.837 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@H]1C ZINC000124683623 525345823 /nfs/dbraw/zinc/34/58/23/525345823.db2.gz YOSUGXYFFHVISY-GHMZBOCLSA-N 1 0 320.349 0.533 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1[N+](=O)[O-] ZINC000267157069 525467196 /nfs/dbraw/zinc/46/71/96/525467196.db2.gz YAVNAOPQQPHORZ-LBPRGKRZSA-N 1 0 313.383 0.793 20 5 DCBDRO Cc1c(C(=O)N2CC[NH2+]CC2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000237758890 525585130 /nfs/dbraw/zinc/58/51/30/525585130.db2.gz MTYPZKJZZRGZPN-UHFFFAOYSA-N 1 0 316.321 0.529 20 5 DCBDRO CC(C)(C)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000331329778 526678564 /nfs/dbraw/zinc/67/85/64/526678564.db2.gz QPQSHVFNZDHVML-STQMWFEESA-N 1 0 312.370 0.899 20 5 DCBDRO [NH3+][C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000262565730 527386860 /nfs/dbraw/zinc/38/68/60/527386860.db2.gz CSWOFZCPEUNNPX-CYBMUJFWSA-N 1 0 303.322 0.998 20 5 DCBDRO Nc1c(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000262384267 527424334 /nfs/dbraw/zinc/42/43/34/527424334.db2.gz YELVCURQRRZKGZ-NSHDSACASA-N 1 0 319.365 0.297 20 5 DCBDRO Nc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000238107994 527469988 /nfs/dbraw/zinc/46/99/88/527469988.db2.gz NBIGUGMGPODBHE-UHFFFAOYSA-N 1 0 307.354 0.202 20 5 DCBDRO [NH3+]C[C@H]1CN(c2c(Br)cncc2[N+](=O)[O-])CCO1 ZINC000236186083 545951384 /nfs/dbraw/zinc/95/13/84/545951384.db2.gz XDDZRSANLXBVNQ-ZETCQYMHSA-N 1 0 317.143 0.916 20 5 DCBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1C ZINC000825465733 607821725 /nfs/dbraw/zinc/82/17/25/607821725.db2.gz QIBXQHQOAHJTHV-VIFPVBQESA-N 1 0 318.341 0.700 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000825856203 607737461 /nfs/dbraw/zinc/73/74/61/607737461.db2.gz RIWAFGVDOSXCAT-ZDUSSCGKSA-N 1 0 321.341 0.499 20 5 DCBDRO CC(C)(C)[NH2+]CCNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000819923072 606706456 /nfs/dbraw/zinc/70/64/56/606706456.db2.gz UZQJDJNVFRWZSH-UHFFFAOYSA-N 1 0 306.330 0.970 20 5 DCBDRO CCn1c(C)nnc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063617 658814740 /nfs/dbraw/zinc/81/47/40/658814740.db2.gz GCBSRPJHROFGQL-WRWGMCAJSA-N 1 0 322.369 0.008 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 ZINC000261633459 661337493 /nfs/dbraw/zinc/33/74/93/661337493.db2.gz CPLSACLNLYEMIP-SECBINFHSA-N 1 0 322.321 0.044 20 5 DCBDRO COC(=O)[C@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840500773 661655332 /nfs/dbraw/zinc/65/53/32/661655332.db2.gz XFZAURGWIVMELN-LLVKDONJSA-N 1 0 315.370 0.385 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000841173371 661736400 /nfs/dbraw/zinc/73/64/00/661736400.db2.gz JFUAYBGJGMMJIG-SSDOTTSWSA-N 1 0 312.301 0.786 20 5 DCBDRO O=C(N[C@H]1C[C@H](C[NH2+]Cc2ccc(F)cn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000983652641 661997851 /nfs/dbraw/zinc/99/78/51/661997851.db2.gz DXCYRQIGRGRADP-ICGCDAGXSA-N 1 0 322.340 0.870 20 5 DCBDRO CCc1nn(C)c(N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000895247497 662156151 /nfs/dbraw/zinc/15/61/51/662156151.db2.gz UTZBDABLKWUGQE-ZYHUDNBSSA-N 1 0 310.402 0.937 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@H]3C[C@@H]4COC[C@@H]4O3)C2)c1 ZINC000896855474 662330807 /nfs/dbraw/zinc/33/08/07/662330807.db2.gz MJRSSSUOJLMDBD-CBALZMOYSA-N 1 0 308.338 0.888 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)C1 ZINC000911657315 664099048 /nfs/dbraw/zinc/09/90/48/664099048.db2.gz SKQYCHYZTNRRCG-QMTHXVAHSA-N 1 0 318.333 0.908 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000911723978 664102955 /nfs/dbraw/zinc/10/29/55/664102955.db2.gz JGEUFKSKVWHDBR-YGRLFVJLSA-N 1 0 318.333 0.908 20 5 DCBDRO O=[N+]([O-])c1cc(C[NH2+]C(CO)CO)ccc1Br ZINC000087752100 664613187 /nfs/dbraw/zinc/61/31/87/664613187.db2.gz OTSSSJFUIVXOOD-UHFFFAOYSA-N 1 0 305.128 0.800 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)OCC12CCC[NH+](CCC1)C2 ZINC000861356769 666922550 /nfs/dbraw/zinc/92/25/50/666922550.db2.gz AHFLEYRWJJTOPB-UHFFFAOYSA-N 1 0 309.326 0.606 20 5 DCBDRO COC(=O)C1=CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000863571857 667159470 /nfs/dbraw/zinc/15/94/70/667159470.db2.gz FZOHGJIIOXRPBM-JQWIXIFHSA-N 1 0 310.310 0.004 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC2(CC[N@@H+](CCCO)C2)CC1 ZINC001035186317 667266184 /nfs/dbraw/zinc/26/61/84/667266184.db2.gz ATGVCOFMEHVKAX-CHWSQXEVSA-N 1 0 311.382 0.349 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1 ZINC000871986139 667863095 /nfs/dbraw/zinc/86/30/95/667863095.db2.gz CVJDNGCPVMOTOG-ZDUSSCGKSA-N 1 0 303.322 0.606 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000758124589 668157135 /nfs/dbraw/zinc/15/71/35/668157135.db2.gz OWDFOXPEXSOIPE-SNVBAGLBSA-N 1 0 305.338 0.786 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3(N4CCOCC4)CC3)C2)c1 ZINC000877478744 668622824 /nfs/dbraw/zinc/62/28/24/668622824.db2.gz LAWRNFFSLPDBTQ-UHFFFAOYSA-N 1 0 321.381 0.949 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CCCCN3CCO)C2)c1 ZINC000877558199 668628304 /nfs/dbraw/zinc/62/83/04/668628304.db2.gz AARQQAVYICBFPH-MOKVOYLWSA-N 1 0 323.397 0.931 20 5 DCBDRO CCN1C[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC000877614056 668633375 /nfs/dbraw/zinc/63/33/75/668633375.db2.gz UQAUWOUWUHURJA-VOMCLLRMSA-N 1 0 307.354 0.953 20 5 DCBDRO O=C1OC[C@]2(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000877713887 668641393 /nfs/dbraw/zinc/64/13/93/668641393.db2.gz HJCGIBRXNRGUDI-HNNXBMFYSA-N 1 0 321.333 0.948 20 5 DCBDRO CN(C)C(=O)NCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000777715875 668890599 /nfs/dbraw/zinc/89/05/99/668890599.db2.gz IZMJSLQTVPJJGU-ZDUSSCGKSA-N 1 0 310.354 0.831 20 5 DCBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3nonc32)CC[N@@H+]1CCO ZINC000777832944 668892163 /nfs/dbraw/zinc/89/21/63/668892163.db2.gz XIDBQTOIHJRTOW-SECBINFHSA-N 1 0 307.310 0.634 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccncc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000930622174 669048839 /nfs/dbraw/zinc/04/88/39/669048839.db2.gz ZLROUMBAKQNAFS-YGRLFVJLSA-N 1 0 305.338 0.827 20 5 DCBDRO C[N@@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1CO ZINC000931398742 669190871 /nfs/dbraw/zinc/19/08/71/669190871.db2.gz UDVZXICAVFLDIQ-CQSZACIVSA-N 1 0 309.366 0.972 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000932762123 669414914 /nfs/dbraw/zinc/41/49/14/669414914.db2.gz SUXSFWUHWGHFTQ-UHFFFAOYSA-N 1 0 307.354 0.796 20 5 DCBDRO C[C@H]1CSCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934301083 669592878 /nfs/dbraw/zinc/59/28/78/669592878.db2.gz SSCTVHYPXWXDSS-JQWIXIFHSA-N 1 0 300.384 0.980 20 5 DCBDRO O=C(OCCn1cnc([N+](=O)[O-])n1)c1ccc2c[nH+]cn2c1 ZINC000793159391 669704835 /nfs/dbraw/zinc/70/48/35/669704835.db2.gz LUQNCOGPUSDCQF-UHFFFAOYSA-N 1 0 302.250 0.691 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000808220196 670399605 /nfs/dbraw/zinc/39/96/05/670399605.db2.gz ABHPWKACILDHFE-LLVKDONJSA-N 1 0 311.313 0.920 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@H](CO)C[NH+](C)C)c1F ZINC000854465673 670572252 /nfs/dbraw/zinc/57/22/52/670572252.db2.gz SSJFKIQWEGYPSY-QMMMGPOBSA-N 1 0 317.292 0.834 20 5 DCBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306390 670666077 /nfs/dbraw/zinc/66/60/77/670666077.db2.gz RCFNOTBNOADUOT-DTWKUNHWSA-N 1 0 324.312 0.207 20 5 DCBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848765375 670723899 /nfs/dbraw/zinc/72/38/99/670723899.db2.gz CJEJOUHFDWPMRJ-UONOGXRCSA-N 1 0 307.350 0.996 20 5 DCBDRO CC[N@H+](CCNS(=O)(=O)c1ncccc1[N+](=O)[O-])C(C)C ZINC000849388019 670786007 /nfs/dbraw/zinc/78/60/07/670786007.db2.gz PEPDIBZTTJSVKH-UHFFFAOYSA-N 1 0 316.383 0.998 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000818948407 671079094 /nfs/dbraw/zinc/07/90/94/671079094.db2.gz DHFMSJHFPKLZCL-VXNVDRBHSA-N 1 0 309.153 0.936 20 5 DCBDRO COCCN1CC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819040471 671087877 /nfs/dbraw/zinc/08/78/77/671087877.db2.gz YZBAWHGAPOJSJO-UKRRQHHQSA-N 1 0 309.366 0.939 20 5 DCBDRO CC[S@@](=O)CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819048478 671089162 /nfs/dbraw/zinc/08/91/62/671089162.db2.gz ZNBJGXKDPQHCDQ-XUSGNXJCSA-N 1 0 316.379 0.693 20 5 DCBDRO O=C1CCC(=O)N1CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819065781 671091076 /nfs/dbraw/zinc/09/10/76/671091076.db2.gz UFBRYCNZVRZABZ-LBPRGKRZSA-N 1 0 307.306 0.367 20 5 DCBDRO C[C@@H](O)c1ccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000819129831 671097846 /nfs/dbraw/zinc/09/78/46/671097846.db2.gz BXUXFQNBLGZDSW-ABAIWWIYSA-N 1 0 320.349 0.995 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCCS2(=O)=O)c1 ZINC000819172505 671100340 /nfs/dbraw/zinc/10/03/40/671100340.db2.gz YRQMJOAFYIJPFV-STQMWFEESA-N 1 0 314.363 0.795 20 5 DCBDRO Cn1ncc(CCC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819330836 671112099 /nfs/dbraw/zinc/11/20/99/671112099.db2.gz FVOOWJJOKMMGGL-AWEZNQCLSA-N 1 0 305.338 0.979 20 5 DCBDRO Cn1ncc(CCC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000819331004 671112132 /nfs/dbraw/zinc/11/21/32/671112132.db2.gz HLFIPFNTJAQQLD-CQSZACIVSA-N 1 0 305.338 0.979 20 5 DCBDRO O=C1OC[C@H]2C[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000860165536 671186267 /nfs/dbraw/zinc/18/62/67/671186267.db2.gz XJCXBTDAHHNFIK-IJLUTSLNSA-N 1 0 322.317 0.439 20 5 DCBDRO Cc1cc(C(=O)N2CCOC3(C[NH2+]C3)C2)c(N)c([N+](=O)[O-])c1 ZINC000853246083 671224132 /nfs/dbraw/zinc/22/41/32/671224132.db2.gz RZSIVTWBTNUEAQ-UHFFFAOYSA-N 1 0 306.322 0.300 20 5 DCBDRO CC(C)(O)C[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823151630 671372625 /nfs/dbraw/zinc/37/26/25/671372625.db2.gz AELOBTUKFDUQDY-UHFFFAOYSA-N 1 0 301.387 0.737 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825763669 671471571 /nfs/dbraw/zinc/47/15/71/671471571.db2.gz AQTZKBUKWCMVBM-OCCSQVGLSA-N 1 0 323.349 0.465 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000827191368 671517826 /nfs/dbraw/zinc/51/78/26/671517826.db2.gz CLGXKTSOFITDPY-LBPRGKRZSA-N 1 0 309.370 0.948 20 5 DCBDRO CC[C@@H](CO)[NH+]1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000827411163 671526743 /nfs/dbraw/zinc/52/67/43/671526743.db2.gz KGECEZWQJGNHBB-LBPRGKRZSA-N 1 0 301.387 0.737 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000827598728 671533330 /nfs/dbraw/zinc/53/33/30/671533330.db2.gz UGACGCDBJGMBCT-GASCZTMLSA-N 1 0 321.381 0.900 20 5 DCBDRO CC(C)(CCC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[N+](=O)[O-] ZINC000829687540 671584047 /nfs/dbraw/zinc/58/40/47/671584047.db2.gz LCGNFEREFIEXHE-UHFFFAOYSA-N 1 0 301.387 0.737 20 5 DCBDRO COCC[NH2+]CCNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000834412052 671759043 /nfs/dbraw/zinc/75/90/43/671759043.db2.gz FPPCRPIDBZRRPE-UHFFFAOYSA-N 1 0 321.337 0.297 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000834622869 671773454 /nfs/dbraw/zinc/77/34/54/671773454.db2.gz BEGUBWXNRRTPFD-JTQLQIEISA-N 1 0 308.338 0.508 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CO)CN2CCCC2)c1 ZINC000843118115 672064413 /nfs/dbraw/zinc/06/44/13/672064413.db2.gz WOYBRPGOBFCMFY-HIFRSBDPSA-N 1 0 309.366 0.675 20 5 DCBDRO O=[N+]([O-])c1cnn(CCc2nc(CC3CC[NH2+]CC3)no2)c1 ZINC000843135422 672065630 /nfs/dbraw/zinc/06/56/30/672065630.db2.gz XAQKSAXBZCYEBT-UHFFFAOYSA-N 1 0 306.326 0.959 20 5 DCBDRO O=C(NC1CC2(C1)CC([NH2+]Cc1ccon1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000963788952 689095637 /nfs/dbraw/zinc/09/56/37/689095637.db2.gz UVGIWECWYBRFEY-UBDGZGRMSA-N 1 0 320.349 0.857 20 5 DCBDRO Cc1noc(CCC[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001691315083 1157639126 /nfs/dbraw/zinc/63/91/26/1157639126.db2.gz SQKYBAURYVTYFT-GHMZBOCLSA-N 1 0 311.342 0.024 20 5 DCBDRO CN(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC001120520609 1159057482 /nfs/dbraw/zinc/05/74/82/1159057482.db2.gz YFICNNIKCZEFMH-RWMBFGLXSA-N 1 0 311.386 0.471 20 5 DCBDRO O=[N+]([O-])c1cc(F)cc(OS(=O)(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC001574441057 1163725199 /nfs/dbraw/zinc/72/51/99/1163725199.db2.gz LOQXEMLYSSGCHQ-NSHDSACASA-N 1 0 320.298 0.431 20 5 DCBDRO CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC001575018447 1163850680 /nfs/dbraw/zinc/85/06/80/1163850680.db2.gz KKSQXNJUHBNZLI-QMMMGPOBSA-N 1 0 310.285 0.784 20 5 DCBDRO C[C@]1(NC(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]C1 ZINC001576534625 1164382681 /nfs/dbraw/zinc/38/26/81/1164382681.db2.gz HNKYOLBBYNUXST-ZFWWWQNUSA-N 1 0 318.333 0.956 20 5 DCBDRO CN([C@H](C[NH3+])C1CC1)S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC001578396268 1164998446 /nfs/dbraw/zinc/99/84/46/1164998446.db2.gz GDWZKESQDOYBPS-SNVBAGLBSA-N 1 0 300.340 0.348 20 5 DCBDRO CN(C[C@H]1C[C@@H](O)C1)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC001578485741 1165032552 /nfs/dbraw/zinc/03/25/52/1165032552.db2.gz DXOCJDPGLYJGSO-RIEGTJTDSA-N 1 0 307.350 0.998 20 5 DCBDRO C[NH2+]C[C@@H](O)[C@H](C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001578641532 1165074779 /nfs/dbraw/zinc/07/47/79/1165074779.db2.gz UFZDKRWDMGWXTK-IINYFYTJSA-N 1 0 323.349 0.401 20 5 DCBDRO COC(=O)[C@@H]1CN(c2ncc([N+](=O)[O-])cc2F)CC12C[NH2+]C2 ZINC001578796971 1165116549 /nfs/dbraw/zinc/11/65/49/1165116549.db2.gz LKUPXQGAGYEZIP-VIFPVBQESA-N 1 0 310.285 0.328 20 5 DCBDRO Cc1cc(OCC(=O)NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC001579639511 1165367973 /nfs/dbraw/zinc/36/79/73/1165367973.db2.gz NJACTOUGBFYWBB-ITGUQSILSA-N 1 0 305.334 0.864 20 5 DCBDRO [NH3+][C@H]1C[C@@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001580167192 1165524803 /nfs/dbraw/zinc/52/48/03/1165524803.db2.gz VLMIKXQALVEYKT-LXTVHRRPSA-N 1 0 321.377 0.849 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CCO)CC1 ZINC001580562484 1165639977 /nfs/dbraw/zinc/63/99/77/1165639977.db2.gz SECCVILWNMDVDG-UHFFFAOYSA-N 1 0 323.349 0.547 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001580561899 1165640259 /nfs/dbraw/zinc/64/02/59/1165640259.db2.gz DYMUJMUEGADCSE-SNVBAGLBSA-N 1 0 307.306 0.221 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001580578856 1165643285 /nfs/dbraw/zinc/64/32/85/1165643285.db2.gz OSWMZHVYUBKCGC-NSHDSACASA-N 1 0 323.353 0.066 20 5 DCBDRO O=C(NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1(O)C[NH2+]C1 ZINC001580712101 1165697059 /nfs/dbraw/zinc/69/70/59/1165697059.db2.gz VSCAADFLDKHVOQ-UHFFFAOYSA-N 1 0 319.239 0.564 20 5 DCBDRO O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001580755232 1165710167 /nfs/dbraw/zinc/71/01/67/1165710167.db2.gz LTLVWNLCERQXCF-UTLUCORTSA-N 1 0 305.290 0.946 20 5 DCBDRO Nc1ncc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC001583990106 1166298571 /nfs/dbraw/zinc/29/85/71/1166298571.db2.gz XJDLDIJIDHXBPS-WDEREUQCSA-N 1 0 321.337 0.165 20 5 DCBDRO CN(CC[N@H+](C)CCO)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591108113 1167106756 /nfs/dbraw/zinc/10/67/56/1167106756.db2.gz ZZXQACMTBXNYHM-UHFFFAOYSA-N 1 0 321.341 0.135 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1cc(-c2nn[nH]n2)ccc1[N+](=O)[O-] ZINC001591168562 1167121173 /nfs/dbraw/zinc/12/11/73/1167121173.db2.gz PCYUEGLLNKLMIY-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO CO[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001591474740 1167306171 /nfs/dbraw/zinc/30/61/71/1167306171.db2.gz PLCJXTMKPKQLCV-VIFPVBQESA-N 1 0 304.310 0.996 20 5 DCBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CSCC[NH2+]1 ZINC001593465475 1167851951 /nfs/dbraw/zinc/85/19/51/1167851951.db2.gz PWBNDZHOKQCKJX-ZETCQYMHSA-N 1 0 322.354 0.287 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC001596047914 1167986640 /nfs/dbraw/zinc/98/66/40/1167986640.db2.gz HQJXUKYXBWIZQU-UHFFFAOYSA-N 1 0 320.349 0.659 20 5 DCBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609191104 1170861148 /nfs/dbraw/zinc/86/11/48/1170861148.db2.gz HMGRHHWWOQTSOP-LLVKDONJSA-N 1 0 306.326 0.978 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001609602345 1171039644 /nfs/dbraw/zinc/03/96/44/1171039644.db2.gz KBAZDXRDQLBEGY-GFCCVEGCSA-N 1 0 316.321 0.732 20 5 DCBDRO [NH3+]C[C@@H]1CCN(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)C1 ZINC001610644455 1171279273 /nfs/dbraw/zinc/27/92/73/1171279273.db2.gz PKCLHUHOSQSNHL-NSHDSACASA-N 1 0 309.322 0.839 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001611905037 1171358672 /nfs/dbraw/zinc/35/86/72/1171358672.db2.gz CJLPOBNEZKVKHQ-JTQLQIEISA-N 1 0 310.358 0.328 20 5 DCBDRO Cc1noc(C[N@@H+]2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)c1[N+](=O)[O-] ZINC001620487816 1171403994 /nfs/dbraw/zinc/40/39/94/1171403994.db2.gz FRLCAIMYCWOSDX-BETUJISGSA-N 1 0 308.294 0.376 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC2(C3(O)CCC3)CCC2)c1 ZINC001620571980 1171404570 /nfs/dbraw/zinc/40/45/70/1171404570.db2.gz MYCDDTUDZNACMQ-CYBMUJFWSA-N 1 0 324.381 0.827 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001629833621 1171559231 /nfs/dbraw/zinc/55/92/31/1171559231.db2.gz FVMDJCNVJQQXGF-HIFRSBDPSA-N 1 0 322.365 0.578 20 5 DCBDRO CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC001633524974 1171645367 /nfs/dbraw/zinc/64/53/67/1171645367.db2.gz ZLPWIJSQLLDALB-VIFPVBQESA-N 1 0 323.334 0.467 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001634899571 1171687633 /nfs/dbraw/zinc/68/76/33/1171687633.db2.gz VFFRNDABRUSMHF-JTQLQIEISA-N 1 0 318.337 0.855 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001637318500 1171761724 /nfs/dbraw/zinc/76/17/24/1171761724.db2.gz ZTHQLOBCLVLYSP-QWRGUYRKSA-N 1 0 311.317 0.354 20 5 DCBDRO COC(=O)[C@]1(O)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001644291294 1172001120 /nfs/dbraw/zinc/00/11/20/1172001120.db2.gz CPGMWSTVNXFYDX-AWEZNQCLSA-N 1 0 310.306 0.583 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]2C1 ZINC001652002379 1173760436 /nfs/dbraw/zinc/76/04/36/1173760436.db2.gz WDAJTDAFDGMRAP-ZJUUUORDSA-N 1 0 305.338 0.477 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])ccc1F)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001652690860 1173774892 /nfs/dbraw/zinc/77/48/92/1173774892.db2.gz NZUJHQJMJPOXFK-VIFPVBQESA-N 1 0 309.297 0.937 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001653830407 1173795272 /nfs/dbraw/zinc/79/52/72/1173795272.db2.gz NVILNFCNEJAOPT-MXWKQRLJSA-N 1 0 302.281 0.739 20 5 DCBDRO NC(=O)Cn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])nn1 ZINC001657287909 1173910427 /nfs/dbraw/zinc/91/04/27/1173910427.db2.gz YLALGZAYXVEQGR-UHFFFAOYSA-N 1 0 304.310 0.004 20 5 DCBDRO COC(=O)[C@@]1(O)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001659929076 1173936190 /nfs/dbraw/zinc/93/61/90/1173936190.db2.gz LVFJZVDSUVEIPR-CQSZACIVSA-N 1 0 310.306 0.583 20 5 DCBDRO C[C@@](Cn1cccn1)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001660572129 1174014122 /nfs/dbraw/zinc/01/41/22/1174014122.db2.gz GEPUDTOUJCIDDB-HNNXBMFYSA-N 1 0 317.349 0.868 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]CCOc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001690336592 1177216945 /nfs/dbraw/zinc/21/69/45/1177216945.db2.gz LCKUOBZRGPLDIO-AYRXBEOTSA-N 1 0 319.361 0.967 20 5 DCBDRO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cn[nH]n1 ZINC001698990868 1177753617 /nfs/dbraw/zinc/75/36/17/1177753617.db2.gz LRHXSPKDTJEASG-UHFFFAOYSA-N 1 0 318.337 0.917 20 5 DCBDRO C[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC(C)(C)C ZINC001712945342 1180574795 /nfs/dbraw/zinc/57/47/95/1180574795.db2.gz BOSNRBUKFCXFQH-GHMZBOCLSA-N 1 0 314.386 0.004 20 5 DCBDRO NC(=O)CC(=O)NC/C=C\C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001716278341 1182298882 /nfs/dbraw/zinc/29/88/82/1182298882.db2.gz VQMKGFSGKKPOMZ-UPHRSURJSA-N 1 0 306.322 0.232 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](C3CCOCC3)CC2)c1 ZINC000175474012 1184102523 /nfs/dbraw/zinc/10/25/23/1184102523.db2.gz OLCOPTXVSFFYHC-UHFFFAOYSA-N 1 0 309.370 0.588 20 5 DCBDRO O=C(NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1)c1cn[nH]n1 ZINC001723531950 1184325384 /nfs/dbraw/zinc/32/53/84/1184325384.db2.gz UFHMUUITVYVGDF-UHFFFAOYSA-N 1 0 316.321 0.765 20 5 DCBDRO CC(C)CC[NH+]1CCC(CO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001725018384 1184658939 /nfs/dbraw/zinc/65/89/39/1184658939.db2.gz ZNJSTAFMJHBACQ-CHWSQXEVSA-N 1 0 313.398 0.641 20 5 DCBDRO C[N@H+](CCNC(=O)CCNC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC001731793549 1185492453 /nfs/dbraw/zinc/49/24/53/1185492453.db2.gz YPFUHPXPYPDMSW-UHFFFAOYSA-N 1 0 323.353 0.201 20 5 DCBDRO CN(CCC[NH2+]Cc1ccc(F)cn1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733099231 1186137416 /nfs/dbraw/zinc/13/74/16/1186137416.db2.gz LMIRSRAIZCDPLG-CHWSQXEVSA-N 1 0 310.329 0.824 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC001164666309 719375229 /nfs/dbraw/zinc/37/52/29/719375229.db2.gz DVMQZBJBFQRHQA-NEPJUHHUSA-N 1 0 322.321 0.296 20 5 DCBDRO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925628 721868879 /nfs/dbraw/zinc/86/88/79/721868879.db2.gz OXGWENSKAFTQDB-NWDGAFQWSA-N 1 0 320.397 0.787 20 5 DCBDRO COc1cc(C)nc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c1[N+](=O)[O-] ZINC001167185852 747013809 /nfs/dbraw/zinc/01/38/09/747013809.db2.gz OUKSYDOTOLYROG-DHHPTOIESA-N 1 0 308.338 0.717 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1c(C)ncc(C[NH3+])c1=N ZINC001167677100 747533625 /nfs/dbraw/zinc/53/36/25/747533625.db2.gz IKMYKVSPDASAIX-UHFFFAOYSA-N 1 0 318.293 0.209 20 5 DCBDRO COC(=O)c1cc(C)nc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001167692909 747676675 /nfs/dbraw/zinc/67/66/75/747676675.db2.gz OZZULNSGUXGSQJ-UHFFFAOYSA-N 1 0 317.305 0.814 20 5 DCBDRO Cn1ncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1N ZINC001126086239 748211756 /nfs/dbraw/zinc/21/17/56/748211756.db2.gz GVBWEPJJBRMACL-UHFFFAOYSA-N 1 0 318.337 0.430 20 5 DCBDRO CC(C)(C(=O)N1CCNCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC001122204332 751014965 /nfs/dbraw/zinc/01/49/65/751014965.db2.gz BQVVGZFKDZPZLB-UHFFFAOYSA-N 1 0 320.393 0.894 20 5 DCBDRO Cc1nocc1C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C[C@H]2C1 ZINC001048812460 754954996 /nfs/dbraw/zinc/95/49/96/754954996.db2.gz KJKRAMALBIGMIU-ZMJPVWNMSA-N 1 0 320.349 0.538 20 5 DCBDRO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]21 ZINC001097584674 755683374 /nfs/dbraw/zinc/68/33/74/755683374.db2.gz ARNWXMNEYNVJNF-YABSGUDNSA-N 1 0 319.365 0.492 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119382652 757766758 /nfs/dbraw/zinc/76/67/58/757766758.db2.gz NTBHWWWNKDZSMH-CQSZACIVSA-N 1 0 307.354 0.934 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001086363432 760101048 /nfs/dbraw/zinc/10/10/48/760101048.db2.gz TZTHUPWGENIIBA-FPQZTECRSA-N 1 0 308.338 0.633 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363516 760102404 /nfs/dbraw/zinc/10/24/04/760102404.db2.gz YXRLDXYDZXPIPH-FMKGYKFTSA-N 1 0 304.350 0.731 20 5 DCBDRO Cc1ncoc1C(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001156228308 760484711 /nfs/dbraw/zinc/48/47/11/760484711.db2.gz SVKQREOGCXOURL-UHFFFAOYSA-N 1 0 322.325 0.534 20 5 DCBDRO CC(=O)N[C@@H](CCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168977380 760528243 /nfs/dbraw/zinc/52/82/43/760528243.db2.gz BCQWTHPOTJEKSH-UPJWGTAASA-N 1 0 314.386 0.182 20 5 DCBDRO COC(=O)CC(CC(=O)OC)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168983725 760531315 /nfs/dbraw/zinc/53/13/15/760531315.db2.gz KWBKEOOCDYAZAX-VHSXEESVSA-N 1 0 302.327 0.516 20 5 DCBDRO CC(C)NC(=O)CN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169022496 760560581 /nfs/dbraw/zinc/56/05/81/760560581.db2.gz CFUVGHWPSDQQEU-KGLIPLIRSA-N 1 0 312.414 0.574 20 5 DCBDRO O=C1NC(=O)C2(C[C@H]3CC[C@@H](C2)[N@H+]3[C@H]2CC[C@H](C[N+](=O)[O-])C2)N1 ZINC001169048987 760563608 /nfs/dbraw/zinc/56/36/08/760563608.db2.gz VQYRSPQGQXRPIM-VQHIRFFYSA-N 1 0 322.365 0.637 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ccc2c([N+](=O)[O-])c[nH]c2n1 ZINC001169066503 760568304 /nfs/dbraw/zinc/56/83/04/760568304.db2.gz GDZLZWZODISEFH-MRVPVSSYSA-N 1 0 302.294 0.519 20 5 DCBDRO COc1cc(C)c([N+](=O)[O-])cc1-n1cncc1C[C@@H]([NH3+])CO ZINC001169073969 760573467 /nfs/dbraw/zinc/57/34/67/760573467.db2.gz OPDVCZBXSPXPOW-SNVBAGLBSA-N 1 0 306.322 0.960 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@H]2CCCC[NH2+]2)ncnc1N1CCOCC1 ZINC001171329480 767966517 /nfs/dbraw/zinc/96/65/17/767966517.db2.gz JITPMDZWLUOTOP-LLVKDONJSA-N 1 0 322.369 0.775 20 5 DCBDRO CSc1nc(Cl)nc(-n2nnc(CC[NH3+])n2)c1[N+](=O)[O-] ZINC001156984792 761634951 /nfs/dbraw/zinc/63/49/51/761634951.db2.gz MMJYJMWJFFKXQQ-UHFFFAOYSA-N 1 0 316.734 0.237 20 5 DCBDRO COC(=O)c1cc(C)nc(NC[C@@H]2COCC[NH2+]2)c1[N+](=O)[O-] ZINC001170040720 761658254 /nfs/dbraw/zinc/65/82/54/761658254.db2.gz AVHPRYBVQMRTTP-SECBINFHSA-N 1 0 310.310 0.485 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cn[nH]c(=O)c1 ZINC001129992752 763082169 /nfs/dbraw/zinc/08/21/69/763082169.db2.gz UOOQAFADFYWIOC-UHFFFAOYSA-N 1 0 317.305 0.610 20 5 DCBDRO CCOC(=O)c1cnc(N[C@H](C)[C@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001170564319 763839693 /nfs/dbraw/zinc/83/96/93/763839693.db2.gz PVVNEGOGTZQHFK-BXKDBHETSA-N 1 0 324.337 0.955 20 5 DCBDRO CO[C@@H]1CN(c2nc(Cl)nc(SC)c2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC001158712029 764656045 /nfs/dbraw/zinc/65/60/45/764656045.db2.gz ZLDUGKGKSASGMP-NTSWFWBYSA-N 1 0 319.774 0.922 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccnnc1 ZINC001134283650 765457121 /nfs/dbraw/zinc/45/71/21/765457121.db2.gz KBKTUJKWBLHFSM-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)n1 ZINC001135244446 765850134 /nfs/dbraw/zinc/85/01/34/765850134.db2.gz ABFBNKQDFIXKPG-GMTAPVOTSA-N 1 0 307.354 0.881 20 5 DCBDRO Cn1ncc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001135283389 765867712 /nfs/dbraw/zinc/86/77/12/765867712.db2.gz XJKQKSQVYMJHKC-UHFFFAOYSA-N 1 0 304.310 0.243 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1ncc(OCC)cc1[N+](=O)[O-] ZINC001170871006 766171101 /nfs/dbraw/zinc/17/11/01/766171101.db2.gz XJDPVQJOUSWPSM-GHMZBOCLSA-N 1 0 324.337 0.952 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1cc([N+](=O)[O-])cnc1OC ZINC001170874259 766186723 /nfs/dbraw/zinc/18/67/23/766186723.db2.gz SBBNZTDAKIVLCB-MWLCHTKSSA-N 1 0 310.310 0.561 20 5 DCBDRO O=[N+]([O-])c1ccc(C(F)(F)N[C@@H]2C[NH2+]C[C@@H]2CO)nc1Cl ZINC001159672297 766198880 /nfs/dbraw/zinc/19/88/80/766198880.db2.gz ODMMKYWUJOGSCY-RNFRBKRXSA-N 1 0 322.699 0.862 20 5 DCBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@@H]2C[NH2+]C[C@@H]2CO)cnc1Cl ZINC001159672315 766198929 /nfs/dbraw/zinc/19/89/29/766198929.db2.gz OIQNGWRFARIBTQ-HTRCEHHLSA-N 1 0 322.699 0.862 20 5 DCBDRO C[C@@H]([NH3+])CCNc1nc(S(C)(=O)=O)nc(Cl)c1[N+](=O)[O-] ZINC001170889602 766243274 /nfs/dbraw/zinc/24/32/74/766243274.db2.gz RQNJVDPVHBGPET-RXMQYKEDSA-N 1 0 323.762 0.591 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001118920346 766470224 /nfs/dbraw/zinc/47/02/24/766470224.db2.gz WRGQGFDRIHWVNK-UHFFFAOYSA-N 1 0 308.338 0.061 20 5 DCBDRO Cc1cc(F)cc(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)c1[N+](=O)[O-] ZINC001122063499 767708910 /nfs/dbraw/zinc/70/89/10/767708910.db2.gz LEHCBNZGMZPBFE-JTQLQIEISA-N 1 0 309.297 0.903 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(-c2nn[nH]n2)c1 ZINC001231118799 769175281 /nfs/dbraw/zinc/17/52/81/769175281.db2.gz WQHFSDQMLCEHFE-LLVKDONJSA-N 1 0 306.346 0.229 20 5 DCBDRO CCOC(=O)c1ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cn1 ZINC001233491505 769373580 /nfs/dbraw/zinc/37/35/80/769373580.db2.gz HFYJOIXLEAUHKG-LLVKDONJSA-N 1 0 311.358 0.621 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](CO)C(N)=O)c1F ZINC001173184286 769556458 /nfs/dbraw/zinc/55/64/58/769556458.db2.gz PPHLGTGBRHWSTE-CBAPKCEASA-N 1 0 315.301 0.109 20 5 DCBDRO C[C@@H](NC(=O)c1cnc(N)c([N+](=O)[O-])c1)C1=CC[N@H+](C)CC1 ZINC001154043167 770055719 /nfs/dbraw/zinc/05/57/19/770055719.db2.gz RYJNFXPVMUYSGQ-SECBINFHSA-N 1 0 305.338 0.952 20 5 DCBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001154746936 770282520 /nfs/dbraw/zinc/28/25/20/770282520.db2.gz AXCWVTHBTWBCCA-QMMMGPOBSA-N 1 0 300.750 0.744 20 5 DCBDRO Nc1nc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)ccc1[N+](=O)[O-] ZINC001155375474 770481588 /nfs/dbraw/zinc/48/15/88/770481588.db2.gz FDYMGQLRBWVFRW-LLVKDONJSA-N 1 0 306.370 0.431 20 5 DCBDRO COC(=O)c1ccnc(N[C@@H]2COCCC23C[NH2+]C3)c1[N+](=O)[O-] ZINC001155469240 770512768 /nfs/dbraw/zinc/51/27/68/770512768.db2.gz NJTXREQIFQBBTI-SNVBAGLBSA-N 1 0 322.321 0.567 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N[C@@H]2COCCC23C[NH2+]C3)c1 ZINC001155470822 770513994 /nfs/dbraw/zinc/51/39/94/770513994.db2.gz WYJDIQATSKQNEN-SECBINFHSA-N 1 0 314.729 0.672 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001155479034 770516657 /nfs/dbraw/zinc/51/66/57/770516657.db2.gz QXDNRYKJGAKEIS-LLVKDONJSA-N 1 0 308.338 0.717 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001155514137 770531649 /nfs/dbraw/zinc/53/16/49/770531649.db2.gz DGCNPNQSFOEMIP-XPTSAGLGSA-N 1 0 322.321 0.424 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cc([N+](=O)[O-])c3cc[nH]c3n2)N1 ZINC001155574472 770551251 /nfs/dbraw/zinc/55/12/51/770551251.db2.gz HMEHLLIITGNDOP-ZANVPECISA-N 1 0 302.294 0.461 20 5 DCBDRO COc1nc(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155619478 770568057 /nfs/dbraw/zinc/56/80/57/770568057.db2.gz PKSKGTPBJCHRIH-NOZJJQNGSA-N 1 0 309.326 0.716 20 5 DCBDRO O=[N+]([O-])c1cnc(Cl)nc1N(c1ncccn1)C1C[NH2+]C1 ZINC001155862646 770641903 /nfs/dbraw/zinc/64/19/03/770641903.db2.gz STLYMSUNDPEMMA-UHFFFAOYSA-N 1 0 307.701 0.938 20 5 DCBDRO COc1nc(N(c2ncccn2)C2C[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155862664 770642166 /nfs/dbraw/zinc/64/21/66/770642166.db2.gz UGDOCTWZOQUBJF-UHFFFAOYSA-N 1 0 303.282 0.293 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N(C)C2CC[NH2+]CC2)n1 ZINC001156180371 770741009 /nfs/dbraw/zinc/74/10/09/770741009.db2.gz FZRZMOMZJKYLCR-UHFFFAOYSA-N 1 0 308.342 0.840 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccnc2CC[NH3+])n1 ZINC001156483751 770831008 /nfs/dbraw/zinc/83/10/08/770831008.db2.gz ZYWAENOULZMUFU-UHFFFAOYSA-N 1 0 305.298 0.339 20 5 DCBDRO NC(=S)C1CCN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001156808319 770930611 /nfs/dbraw/zinc/93/06/11/770930611.db2.gz ITHHFWMYFMCXMW-UHFFFAOYSA-N 1 0 322.394 0.574 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC(=N)NCCCC[NH3+])n1 ZINC001157101481 771535855 /nfs/dbraw/zinc/53/58/55/771535855.db2.gz IRRPOTARUVIGAA-UHFFFAOYSA-N 1 0 310.314 0.452 20 5 DCBDRO O=[N+]([O-])c1c(NC[C@H]2C[C@H](F)C2)ncnc1N1CC[NH2+]CC1 ZINC001157453045 771611963 /nfs/dbraw/zinc/61/19/63/771611963.db2.gz QNCKXUFVDQXCQP-MGCOHNPYSA-N 1 0 310.333 0.954 20 5 DCBDRO CCOC(=O)CN(CCC[NH3+])c1ncc(OC)cc1[N+](=O)[O-] ZINC001157549063 771631100 /nfs/dbraw/zinc/63/11/00/771631100.db2.gz OSFFVSJKIGVNJX-UHFFFAOYSA-N 1 0 312.326 0.717 20 5 DCBDRO C[NH+]1CCN(C(=N)Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001157914522 771692378 /nfs/dbraw/zinc/69/23/78/771692378.db2.gz HEQUWGWTQKVZAL-UHFFFAOYSA-N 1 0 309.286 0.492 20 5 DCBDRO COC(=O)c1ccnc(-n2cc3c(n2)CC[C@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001157988805 771708194 /nfs/dbraw/zinc/70/81/94/771708194.db2.gz ONARTXDZOKIGAW-VIFPVBQESA-N 1 0 317.305 0.778 20 5 DCBDRO [NH3+]Cc1nnnn1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1 ZINC001158074745 771722148 /nfs/dbraw/zinc/72/21/48/771722148.db2.gz KCHVCCLAHODSAH-UHFFFAOYSA-N 1 0 305.632 0.686 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1nc(C)ncc1[N+](=O)[O-])CC2 ZINC001158634621 771796914 /nfs/dbraw/zinc/79/69/14/771796914.db2.gz GJGHAFAUYSEQDX-FZMZJTMJSA-N 1 0 321.337 0.425 20 5 DCBDRO [NH3+][C@H]1CN(c2cnc3ccc([N+](=O)[O-])cc3n2)CC12COC2 ZINC001158763093 771818552 /nfs/dbraw/zinc/81/85/52/771818552.db2.gz FQGWUNDXDKFZIY-LBPRGKRZSA-N 1 0 301.306 0.702 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([NH3+])C2(COC2)C1 ZINC001158765683 771819371 /nfs/dbraw/zinc/81/93/71/771819371.db2.gz IEWWIISJSVNTDV-NSHDSACASA-N 1 0 322.321 0.330 20 5 DCBDRO COc1cc2ncnc(NCCN(C)CC[NH3+])c2cc1[N+](=O)[O-] ZINC001159439236 771909861 /nfs/dbraw/zinc/90/98/61/771909861.db2.gz OURBVTCQMJICCL-UHFFFAOYSA-N 1 0 320.353 0.849 20 5 DCBDRO COc1nc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)nc(OC)c1[N+](=O)[O-] ZINC001159496591 771919135 /nfs/dbraw/zinc/91/91/35/771919135.db2.gz KJXCDNKXFQOSJE-YUMQZZPRSA-N 1 0 313.314 0.191 20 5 DCBDRO O=C(NCCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cn[nH]n1 ZINC001161691626 772266904 /nfs/dbraw/zinc/26/69/04/772266904.db2.gz UIMLUYOLFZCTTM-UHFFFAOYSA-N 1 0 310.339 0.684 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)n1 ZINC001162803389 772420545 /nfs/dbraw/zinc/42/05/45/772420545.db2.gz RFUCILQZJVWDLK-LPEHRKFASA-N 1 0 304.306 0.962 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2[NH3+])cc1OC ZINC001162925231 772432495 /nfs/dbraw/zinc/43/24/95/772432495.db2.gz UFGASVLLFPVHKA-WCBMZHEXSA-N 1 0 311.294 0.528 20 5 DCBDRO COC(=O)[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2c1)C(C)(C)[NH3+] ZINC001162947502 772434748 /nfs/dbraw/zinc/43/47/48/772434748.db2.gz KVLYBUFJMPDYAI-LLVKDONJSA-N 1 0 307.310 0.933 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])cc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163064312 772451821 /nfs/dbraw/zinc/45/18/21/772451821.db2.gz AMIQJIXTCVBQOZ-SNVBAGLBSA-N 1 0 314.729 0.672 20 5 DCBDRO O=[N+]([O-])c1cc(N[C@@H]2COCCC23C[NH2+]C3)cn2cnnc12 ZINC001163079039 772455333 /nfs/dbraw/zinc/45/53/33/772455333.db2.gz KCZSVVLHCWTLTH-LLVKDONJSA-N 1 0 304.310 0.428 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)n1 ZINC001163138107 772470270 /nfs/dbraw/zinc/47/02/70/772470270.db2.gz YATCDEGHEDEWQB-FBIMIBRVSA-N 1 0 308.294 0.175 20 5 DCBDRO COC(=O)c1cc(C)nc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)c1[N+](=O)[O-] ZINC001163141813 772471183 /nfs/dbraw/zinc/47/11/83/772471183.db2.gz YRMJFVYWMKEGGB-GMTAPVOTSA-N 1 0 322.321 0.484 20 5 DCBDRO CC(=O)Nc1ccc(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)cc1[N+](=O)[O-] ZINC001163146066 772471815 /nfs/dbraw/zinc/47/18/15/772471815.db2.gz GOOHJVNRGBYRJB-RAIGVLPGSA-N 1 0 306.322 0.952 20 5 DCBDRO COc1nc(C)c(NC[C@]23C[NH2+]C[C@H]2COC3)cc1[N+](=O)[O-] ZINC001163154519 772473388 /nfs/dbraw/zinc/47/33/88/772473388.db2.gz PCJCJEFELICVFG-HZMBPMFUSA-N 1 0 308.338 0.955 20 5 DCBDRO Cn1cc(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1=O ZINC001163325755 772506777 /nfs/dbraw/zinc/50/67/77/772506777.db2.gz YGTRBUYDBBMRPX-YGRLFVJLSA-N 1 0 308.338 0.617 20 5 DCBDRO O=[N+]([O-])c1cnc(N2C[C@H](F)C[C@@H](CO)C2)nc1C1C[NH2+]C1 ZINC001164048257 772609044 /nfs/dbraw/zinc/60/90/44/772609044.db2.gz MYBBVIVRGPZOBS-PSASIEDQSA-N 1 0 311.317 0.228 20 5 DCBDRO Cn1nnc(C(=O)NCCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC001164153619 772617672 /nfs/dbraw/zinc/61/76/72/772617672.db2.gz QNGQUNHZTYCPTB-UHFFFAOYSA-N 1 0 319.325 0.028 20 5 DCBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCC[C@H]1O ZINC001164226973 772628150 /nfs/dbraw/zinc/62/81/50/772628150.db2.gz FGDFYFDFIIRNNQ-BXKDBHETSA-N 1 0 307.354 0.669 20 5 DCBDRO Cn1ccnc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490246 772667571 /nfs/dbraw/zinc/66/75/71/772667571.db2.gz FPOWFSNEODXJOV-VXGBXAGGSA-N 1 0 321.381 0.461 20 5 DCBDRO Cc1cnc(N2CC(=O)NC3(CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC001165253203 772711510 /nfs/dbraw/zinc/71/15/10/772711510.db2.gz YFWJCDHGNGUSNH-UHFFFAOYSA-N 1 0 305.338 0.357 20 5 DCBDRO O=[N+]([O-])c1ccnc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)c1 ZINC001165310159 772722420 /nfs/dbraw/zinc/72/24/20/772722420.db2.gz LILFJPGBVPSTDL-UHFFFAOYSA-N 1 0 315.337 0.680 20 5 DCBDRO CCOc1nc(N2CC[NH2+]C[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC001165443729 772739207 /nfs/dbraw/zinc/73/92/07/772739207.db2.gz YSROPFWMHMCDIV-JTQLQIEISA-N 1 0 310.310 0.340 20 5 DCBDRO COC(=O)Cc1ccc(-n2ccnc2CC[NH3+])cc1[N+](=O)[O-] ZINC001166369686 772805575 /nfs/dbraw/zinc/80/55/75/772805575.db2.gz HUWUOOCSYQENON-UHFFFAOYSA-N 1 0 304.306 0.997 20 5 DCBDRO O=C1C[C@@H]2COC[C@H](C1)N2c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001166973800 772895830 /nfs/dbraw/zinc/89/58/30/772895830.db2.gz CSXFQWFMGSBXSB-AOOOYVTPSA-N 1 0 319.321 0.008 20 5 DCBDRO C[C@@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]C[C@@H]1O ZINC001204856360 772965967 /nfs/dbraw/zinc/96/59/67/772965967.db2.gz FXJUEGQZSCDAGT-QPUJVOFHSA-N 1 0 309.257 0.401 20 5 DCBDRO C[C@]1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)C[NH2+]C[C@@H]1O ZINC001204856364 772965993 /nfs/dbraw/zinc/96/59/93/772965993.db2.gz FXJUEGQZSCDAGT-UFBFGSQYSA-N 1 0 309.257 0.401 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001196095095 773538643 /nfs/dbraw/zinc/53/86/43/773538643.db2.gz UOMLBBURGDXTPA-WQAKAFBOSA-N 1 0 320.349 0.483 20 5 DCBDRO Nc1ccc2n(C(=O)[C@@H]3C[NH2+]CCN3)c3ccccc3cc-2c1=O ZINC001219256651 774424776 /nfs/dbraw/zinc/42/47/76/774424776.db2.gz VBQOCXCZLMTCQK-AWEZNQCLSA-N 1 0 322.368 0.890 20 5 DCBDRO CN(CCCNC(=O)Cc1ncc[nH]1)c1ccc([N+](=O)[O-])cn1 ZINC001095617535 775263493 /nfs/dbraw/zinc/26/34/93/775263493.db2.gz JTMATKDWHUWPAP-UHFFFAOYSA-N 1 0 318.337 0.898 20 5 DCBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ncncc3[N+](=O)[O-])C[C@H]1[N@@H+]2C ZINC001228655917 776109286 /nfs/dbraw/zinc/10/92/86/776109286.db2.gz XMJXVOWXNVZPOM-KQXIARHKSA-N 1 0 322.321 0.930 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc2nc(N)sc2n1 ZINC001229990862 776241525 /nfs/dbraw/zinc/24/15/25/776241525.db2.gz RTZAIGISZBYEQM-MRVPVSSYSA-N 1 0 311.387 0.636 20 5 DCBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)c1cnn(C)n1 ZINC001266898026 939270172 /nfs/dbraw/zinc/27/01/72/939270172.db2.gz WVPHSSTWYUWSCE-UHFFFAOYSA-N 1 0 324.366 0.647 20 5 DCBDRO CNC(=O)NCC(=O)N(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001267380487 939442236 /nfs/dbraw/zinc/44/22/36/939442236.db2.gz XOZQQKPJOIXKLR-UHFFFAOYSA-N 1 0 323.353 0.072 20 5 DCBDRO NC(=O)C(=O)NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC001273147808 945354620 /nfs/dbraw/zinc/35/46/20/945354620.db2.gz XRAGSKBECAGUTO-UHFFFAOYSA-N 1 0 306.322 0.209 20 5 DCBDRO COc1cc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001483463986 942372097 /nfs/dbraw/zinc/37/20/97/942372097.db2.gz BVRJABVLBYRDGZ-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)nn1C ZINC001484633794 943483458 /nfs/dbraw/zinc/48/34/58/943483458.db2.gz AZNMYROHARBPEQ-CHWSQXEVSA-N 1 0 321.381 0.522 20 5 DCBDRO NC(=O)C(=O)NCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001316922546 944649667 /nfs/dbraw/zinc/64/96/67/944649667.db2.gz YUFHKEVCPCFMNZ-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO C[NH+](C)[C@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001318671071 945424913 /nfs/dbraw/zinc/42/49/13/945424913.db2.gz MQGZHXMIIODNQS-STQMWFEESA-N 1 0 322.365 0.746 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(CN[C@H]2CC[NH2+]C2)n1 ZINC001247696956 945568618 /nfs/dbraw/zinc/56/86/18/945568618.db2.gz ASWJTIFNJQCZDE-QMMMGPOBSA-N 1 0 308.273 0.630 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc([C@]23C[NH2+]C[C@H]2CCN3)n1 ZINC001247838048 945575770 /nfs/dbraw/zinc/57/57/70/945575770.db2.gz RPVUKILTCMYWCV-UHLUBPPHSA-N 1 0 320.284 0.587 20 5 DCBDRO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001319474286 945597034 /nfs/dbraw/zinc/59/70/34/945597034.db2.gz NKDBQXVOHMAKCI-VXGBXAGGSA-N 1 0 322.365 0.746 20 5 DCBDRO C[NH+](C)CC1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001319475330 945598346 /nfs/dbraw/zinc/59/83/46/945598346.db2.gz UMEQXUXLWKMHAK-UHFFFAOYSA-N 1 0 322.365 0.557 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N[C@@H](C)C(N)=O ZINC001254548112 946408779 /nfs/dbraw/zinc/40/87/79/946408779.db2.gz GOPYIUBVMVLLOO-VWYCJHECSA-N 1 0 322.365 0.494 20 5 DCBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])n1cnc(C[C@H]([NH3+])C(N)=O)c1 ZINC001254550157 946409902 /nfs/dbraw/zinc/40/99/02/946409902.db2.gz DRGYWAPXDOVMIX-GWCFXTLKSA-N 1 0 317.349 0.950 20 5 DCBDRO COC(=O)C[N@H+](CC(C)C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001323798638 947209588 /nfs/dbraw/zinc/20/95/88/947209588.db2.gz TYFIFEPMLWOCNU-LBPRGKRZSA-N 1 0 314.342 0.283 20 5 DCBDRO C[C@H]1C[C@@H](N(C)C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001324267986 947372156 /nfs/dbraw/zinc/37/21/56/947372156.db2.gz SZCMZCRRZJWRHB-RYUDHWBXSA-N 1 0 322.365 0.698 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001261643190 947382556 /nfs/dbraw/zinc/38/25/56/947382556.db2.gz JVTAZAQPEMUKFL-UONOGXRCSA-N 1 0 305.334 0.843 20 5 DCBDRO Cn1nccc1[C@@H](O)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001462611157 1013077233 /nfs/dbraw/zinc/07/72/33/1013077233.db2.gz HENMYKYRLDVIAF-ZPPKWKGLSA-N 1 0 306.326 0.552 20 5 DCBDRO O=C(NCC[NH2+]C1CC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001325341294 947761908 /nfs/dbraw/zinc/76/19/08/947761908.db2.gz YDXCYVIFIDKRHJ-UHFFFAOYSA-N 1 0 320.349 0.122 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001326038146 948030733 /nfs/dbraw/zinc/03/07/33/948030733.db2.gz ZPPRTBITUCBJRS-JTQLQIEISA-N 1 0 318.333 0.257 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCc1ccccc1[N+](=O)[O-] ZINC001263709191 948737272 /nfs/dbraw/zinc/73/72/72/948737272.db2.gz KGHPQTJQZMDIGY-SMDDNHRTSA-N 1 0 304.350 0.599 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001328489052 948920662 /nfs/dbraw/zinc/92/06/62/948920662.db2.gz KIAJGGOBWYEJCD-LBPRGKRZSA-N 1 0 323.353 0.161 20 5 DCBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001329113653 949364223 /nfs/dbraw/zinc/36/42/23/949364223.db2.gz DJUCYORNYIYPBL-CMPLNLGQSA-N 1 0 320.349 0.420 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001330593673 950533801 /nfs/dbraw/zinc/53/38/01/950533801.db2.gz ADCDSYWYOQRVSX-RYUDHWBXSA-N 1 0 323.353 0.319 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH2+]CC1CC(F)(F)C1 ZINC001279711193 950679858 /nfs/dbraw/zinc/67/98/58/950679858.db2.gz LGGBJVIRZSETPG-GHMZBOCLSA-N 1 0 321.324 0.107 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001331612654 951193855 /nfs/dbraw/zinc/19/38/55/951193855.db2.gz MGWHJIDMJZEOCH-GXSJLCMTSA-N 1 0 324.385 0.001 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH2+]CCC12CCC2 ZINC001333235050 951967609 /nfs/dbraw/zinc/96/76/09/951967609.db2.gz GMPXJVVWDCFNTJ-UHFFFAOYSA-N 1 0 307.354 0.926 20 5 DCBDRO O=[N+]([O-])c1ccc(NCC[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC001336724815 952757686 /nfs/dbraw/zinc/75/76/86/952757686.db2.gz XEZGEZYGVRMYDE-CQSZACIVSA-N 1 0 305.338 0.854 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001338462067 953016859 /nfs/dbraw/zinc/01/68/59/953016859.db2.gz KZOBBLMYQYIWTL-DRZSPHRISA-N 1 0 307.354 0.638 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001339791476 953119402 /nfs/dbraw/zinc/11/94/02/953119402.db2.gz YAFGPWAXNNSJEZ-CYBMUJFWSA-N 1 0 307.354 0.027 20 5 DCBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340615482 953183034 /nfs/dbraw/zinc/18/30/34/953183034.db2.gz OKFGFXXEVCFVDE-UXONFWTHSA-N 1 0 303.318 0.855 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001341044679 953208378 /nfs/dbraw/zinc/20/83/78/953208378.db2.gz MCINBSSURPASAG-NEPJUHHUSA-N 1 0 307.354 0.843 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001341492054 953233923 /nfs/dbraw/zinc/23/39/23/953233923.db2.gz GGEIHJSSWARZEX-JTQLQIEISA-N 1 0 313.379 0.969 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@]12CC[NH2+]C2 ZINC001341499154 953234198 /nfs/dbraw/zinc/23/41/98/953234198.db2.gz GZNOLOBABRFLKK-AWEZNQCLSA-N 1 0 306.322 0.111 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)c1[N+](=O)[O-] ZINC001345138843 953598484 /nfs/dbraw/zinc/59/84/84/953598484.db2.gz IXMPSFPVBBCWSN-AWEZNQCLSA-N 1 0 307.354 0.995 20 5 DCBDRO O=C(C[NH+]1CCC(CO)CC1)NCCc1ccc([N+](=O)[O-])cc1 ZINC001346749317 953954136 /nfs/dbraw/zinc/95/41/36/953954136.db2.gz HGSVGSXOEXQGKI-UHFFFAOYSA-N 1 0 321.377 0.958 20 5 DCBDRO C[NH+]1CCN(C(C)(C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC001292956703 957214373 /nfs/dbraw/zinc/21/43/73/957214373.db2.gz QQJBSVCVYDBCGE-UHFFFAOYSA-N 1 0 314.430 0.964 20 5 DCBDRO O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001357939226 957405682 /nfs/dbraw/zinc/40/56/82/957405682.db2.gz SRGBCCLTHURNIF-KWCYVHTRSA-N 1 0 305.334 0.803 20 5 DCBDRO O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001357939230 957405692 /nfs/dbraw/zinc/40/56/92/957405692.db2.gz SRGBCCLTHURNIF-XBFCOCLRSA-N 1 0 305.334 0.803 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001303898374 960070383 /nfs/dbraw/zinc/07/03/83/960070383.db2.gz HJWAFOKYZSQZBA-GFCCVEGCSA-N 1 0 306.322 0.145 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001304524621 960090765 /nfs/dbraw/zinc/09/07/65/960090765.db2.gz KBWKFZZZAUIOAR-CYBMUJFWSA-N 1 0 321.381 0.948 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(O)(C3CCC3)CC2)c1 ZINC001308129989 960167624 /nfs/dbraw/zinc/16/76/24/960167624.db2.gz XEBMDEAAUMWKLQ-CQSZACIVSA-N 1 0 324.381 0.779 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(Cc2nn[nH]n2)CC1 ZINC001473764715 1016963453 /nfs/dbraw/zinc/96/34/53/1016963453.db2.gz RCGMJKUSPPCIGQ-UHFFFAOYSA-N 1 0 320.357 0.568 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C1 ZINC001454608493 1009225062 /nfs/dbraw/zinc/22/50/62/1009225062.db2.gz LROGLVJGISEEOX-JTQLQIEISA-N 1 0 323.353 0.147 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2c(N)cccc2[N+](=O)[O-])C1 ZINC001557883612 1012303607 /nfs/dbraw/zinc/30/36/07/1012303607.db2.gz NAKWWZOSBAIEHL-JTQLQIEISA-N 1 0 322.365 0.752 20 5 DCBDRO C[C@@H]1[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001558424812 1012357088 /nfs/dbraw/zinc/35/70/88/1012357088.db2.gz BKZBFOLSGYKCGX-PWSUYJOCSA-N 1 0 321.333 0.995 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001558679420 1012378291 /nfs/dbraw/zinc/37/82/91/1012378291.db2.gz NRHRTXJXYGPIKM-GFCCVEGCSA-N 1 0 307.354 0.639 20 5 DCBDRO CC(C)(O)[C@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001460753634 1012964319 /nfs/dbraw/zinc/96/43/19/1012964319.db2.gz YMCDLOQMSSNWJM-WCQYABFASA-N 1 0 312.370 0.635 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)C2C[NH2+]C2)cc1[N+](=O)[O-] ZINC000090289904 185289535 /nfs/dbraw/zinc/28/95/35/185289535.db2.gz OUKJLVUQZLJZIA-UHFFFAOYSA-N 1 0 301.324 0.196 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000286738635 219139051 /nfs/dbraw/zinc/13/90/51/219139051.db2.gz OJUDIKBBFAKARP-VIFPVBQESA-N 1 0 317.367 0.832 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000269139070 290815784 /nfs/dbraw/zinc/81/57/84/290815784.db2.gz TXNQVMYDZHHIQW-SECBINFHSA-N 1 0 307.306 0.800 20 5 DCBDRO C[C@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C[NH3+] ZINC000156913124 237055151 /nfs/dbraw/zinc/05/51/51/237055151.db2.gz HHYKCNTWJYWCFV-CMPLNLGQSA-N 1 0 308.338 0.342 20 5 DCBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000272135850 209505265 /nfs/dbraw/zinc/50/52/65/209505265.db2.gz CRAIWBGBNVJQJR-LLVKDONJSA-N 1 0 309.370 0.980 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000566005159 291263436 /nfs/dbraw/zinc/26/34/36/291263436.db2.gz VQKRBLDHPBTGBC-CMPLNLGQSA-N 1 0 306.326 0.022 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCOC3(CCC3)C2)c1 ZINC000566114633 291271387 /nfs/dbraw/zinc/27/13/87/291271387.db2.gz CSVFHWYKKNQKOB-WCQYABFASA-N 1 0 310.354 0.844 20 5 DCBDRO C[C@@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000566123698 291272338 /nfs/dbraw/zinc/27/23/38/291272338.db2.gz CZTJNXRWSZRFJH-PWSUYJOCSA-N 1 0 321.337 0.814 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000566190861 291279394 /nfs/dbraw/zinc/27/93/94/291279394.db2.gz SOSNLIVGOSYAHL-AWEZNQCLSA-N 1 0 315.333 0.795 20 5 DCBDRO Cc1c(CC(=O)NCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000422743475 240181963 /nfs/dbraw/zinc/18/19/63/240181963.db2.gz ISJSPMIPDGJRKY-UHFFFAOYSA-N 1 0 306.366 0.467 20 5 DCBDRO COCC[NH2+]CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000567826202 291381629 /nfs/dbraw/zinc/38/16/29/291381629.db2.gz VEZPRSYEZOHOOV-UHFFFAOYSA-N 1 0 311.342 0.191 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1 ZINC000567873549 291386202 /nfs/dbraw/zinc/38/62/02/291386202.db2.gz YGNYCFOIMPWJGO-QLFBSQMISA-N 1 0 324.381 0.539 20 5 DCBDRO CN(CCC[NH3+])C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000569471672 291481078 /nfs/dbraw/zinc/48/10/78/291481078.db2.gz CEBOYXJEHRYSHG-UHFFFAOYSA-N 1 0 308.338 0.061 20 5 DCBDRO Cc1cnc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000569569236 291484830 /nfs/dbraw/zinc/48/48/30/291484830.db2.gz TVYMNOALGUAXAS-CYBMUJFWSA-N 1 0 306.326 0.083 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264706865 204093211 /nfs/dbraw/zinc/09/32/11/204093211.db2.gz FBJOCPDJGNGCTA-AWEZNQCLSA-N 1 0 306.366 0.499 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](C2CCC2)CC1 ZINC000265046946 204363832 /nfs/dbraw/zinc/36/38/32/204363832.db2.gz ZPCFGVAIEYOABA-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO Nc1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000265478466 204642092 /nfs/dbraw/zinc/64/20/92/204642092.db2.gz GIIVXXLUKLWYFF-SNVBAGLBSA-N 1 0 322.369 0.880 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H](CO)C1CC1 ZINC000574204767 291680890 /nfs/dbraw/zinc/68/08/90/291680890.db2.gz MPDVESAGKCFISI-CHWSQXEVSA-N 1 0 310.350 0.943 20 5 DCBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000339693349 253127940 /nfs/dbraw/zinc/12/79/40/253127940.db2.gz DXSCIPUMUVZUCS-LBPRGKRZSA-N 1 0 307.350 0.974 20 5 DCBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000272987487 210367241 /nfs/dbraw/zinc/36/72/41/210367241.db2.gz FATWFTNERMCGLU-SNVBAGLBSA-N 1 0 316.321 0.515 20 5 DCBDRO C[C@H](C[NH+](C)C)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000346256102 254028342 /nfs/dbraw/zinc/02/83/42/254028342.db2.gz IGPCEVKXVDZVLI-SNVBAGLBSA-N 1 0 308.338 0.391 20 5 DCBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1C ZINC000346695071 254083758 /nfs/dbraw/zinc/08/37/58/254083758.db2.gz YCVXWFFGKMNFEE-YUSALJHKSA-N 1 0 312.326 0.036 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CCC[C@@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000347486746 254161259 /nfs/dbraw/zinc/16/12/59/254161259.db2.gz APWGJTDDPQGQLG-LLVKDONJSA-N 1 0 307.306 0.945 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc2c(c1)C[NH2+]C2 ZINC000347540672 254166601 /nfs/dbraw/zinc/16/66/01/254166601.db2.gz UUEWOECALHKGRZ-UHFFFAOYSA-N 1 0 301.306 0.825 20 5 DCBDRO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCc1ccccc1[N+](=O)[O-] ZINC000351527132 254343990 /nfs/dbraw/zinc/34/39/90/254343990.db2.gz YDZYBEGXOFFWCG-GFCCVEGCSA-N 1 0 320.349 0.122 20 5 DCBDRO COC(=O)c1cn(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1 ZINC000284034032 131042228 /nfs/dbraw/zinc/04/22/28/131042228.db2.gz OKFVCDFICRONJD-UHFFFAOYSA-N 1 0 305.294 0.763 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115438701 395839945 /nfs/dbraw/zinc/83/99/45/395839945.db2.gz NLYAXFIQHWCLEO-LBPRGKRZSA-N 1 0 309.370 0.900 20 5 DCBDRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053711788 395888508 /nfs/dbraw/zinc/88/85/08/395888508.db2.gz KUXTWKUOSCMFEF-DTORHVGOSA-N 1 0 314.367 0.429 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C)(C)CC(N)=O ZINC000273414298 395919855 /nfs/dbraw/zinc/91/98/55/395919855.db2.gz ITVLNXOFOLKIEB-UHFFFAOYSA-N 1 0 324.337 0.786 20 5 DCBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](Cn3ccnn3)C2)n1 ZINC000119410615 395870861 /nfs/dbraw/zinc/87/08/61/395870861.db2.gz KFGSGWRVKADKJC-LBPRGKRZSA-N 1 0 305.342 0.795 20 5 DCBDRO COC(=O)[C@]1(C)CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246296911 395946043 /nfs/dbraw/zinc/94/60/43/395946043.db2.gz BSLZUQSPYUSFLY-DGCLKSJQSA-N 1 0 312.326 0.037 20 5 DCBDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000150917066 395975754 /nfs/dbraw/zinc/97/57/54/395975754.db2.gz LWNPPYALZJISAR-NSHDSACASA-N 1 0 312.374 0.821 20 5 DCBDRO Cc1c(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000261628010 396050267 /nfs/dbraw/zinc/05/02/67/396050267.db2.gz CRIUNTSIORWETB-AWEZNQCLSA-N 1 0 322.365 0.619 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3C[C@H](O)[C@@H](O)C3)o2)c1 ZINC000278543580 396130460 /nfs/dbraw/zinc/13/04/60/396130460.db2.gz AKRARCMHEITYBU-STQMWFEESA-N 1 0 319.317 0.830 20 5 DCBDRO NC(=O)c1ccc(SCC(=O)N2CC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000262484133 396145370 /nfs/dbraw/zinc/14/53/70/396145370.db2.gz WAYOLXZEOVDWPY-SECBINFHSA-N 1 0 324.362 0.345 20 5 DCBDRO Cn1c(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000262485839 396145908 /nfs/dbraw/zinc/14/59/08/396145908.db2.gz KKRQXDCQUHLZRY-NSHDSACASA-N 1 0 307.354 0.053 20 5 DCBDRO COC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCO1 ZINC000279102075 396153029 /nfs/dbraw/zinc/15/30/29/396153029.db2.gz RDHWIPSGIAKBMW-STQMWFEESA-N 1 0 311.338 0.540 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000073997160 396154709 /nfs/dbraw/zinc/15/47/09/396154709.db2.gz KXHMDICMHITDSN-NWDGAFQWSA-N 1 0 307.354 0.795 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000262559412 396155588 /nfs/dbraw/zinc/15/55/88/396155588.db2.gz UZMIDWOJBAVMFX-YPMHNXCESA-N 1 0 304.350 0.735 20 5 DCBDRO C[C@H]1CCSCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000279322874 396165838 /nfs/dbraw/zinc/16/58/38/396165838.db2.gz SMEUYUPFPFISEH-JQWIXIFHSA-N 1 0 300.384 0.980 20 5 DCBDRO CC(C)([NH3+])CNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000262639354 396166093 /nfs/dbraw/zinc/16/60/93/396166093.db2.gz PRWQBJUXBKGUGA-UHFFFAOYSA-N 1 0 322.321 0.174 20 5 DCBDRO CO[C@@H](C[NH3+])CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262835630 396186142 /nfs/dbraw/zinc/18/61/42/396186142.db2.gz IIKKUXNUXHUNGV-CMPLNLGQSA-N 1 0 323.353 0.366 20 5 DCBDRO COc1cc(S(=O)(=O)NCC[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000178910848 396214502 /nfs/dbraw/zinc/21/45/02/396214502.db2.gz NYNUPCSBAHRFRO-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C ZINC000183987106 396280187 /nfs/dbraw/zinc/28/01/87/396280187.db2.gz XVWBAZHANCWUKY-UHFFFAOYSA-N 1 0 324.381 0.705 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000264476880 396283742 /nfs/dbraw/zinc/28/37/42/396283742.db2.gz MONWBDSEHKJUKG-SECBINFHSA-N 1 0 310.310 0.146 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000264540098 396288817 /nfs/dbraw/zinc/28/88/17/396288817.db2.gz NLQIZVBSZMDFHQ-ZDUSSCGKSA-N 1 0 307.350 0.974 20 5 DCBDRO CN1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000265667659 396335499 /nfs/dbraw/zinc/33/54/99/396335499.db2.gz WESGASPFBIJTDK-JSGCOSHPSA-N 1 0 323.349 0.497 20 5 DCBDRO C[NH+](C)[C@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCSC1 ZINC000267116488 396354629 /nfs/dbraw/zinc/35/46/29/396354629.db2.gz ONPIHRJKXDKXJJ-LBPRGKRZSA-N 1 0 313.383 0.345 20 5 DCBDRO Cc1nn(CCC(=O)N2CCC(C[NH3+])CC2)c(C)c1[N+](=O)[O-] ZINC000269184454 396392732 /nfs/dbraw/zinc/39/27/32/396392732.db2.gz KQXBXHGCMZSLHC-UHFFFAOYSA-N 1 0 309.370 0.996 20 5 DCBDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000290759433 396471848 /nfs/dbraw/zinc/47/18/48/396471848.db2.gz ZNZBYFDOXYVBEB-UHFFFAOYSA-N 1 0 312.374 0.273 20 5 DCBDRO C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171754 396491234 /nfs/dbraw/zinc/49/12/34/396491234.db2.gz VMVAHZOCEDOEHA-FZMZJTMJSA-N 1 0 321.381 0.940 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC000595034517 396546330 /nfs/dbraw/zinc/54/63/30/396546330.db2.gz WRRYHSZZLYBYMO-SECBINFHSA-N 1 0 322.321 0.806 20 5 DCBDRO C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000595104045 396548532 /nfs/dbraw/zinc/54/85/32/396548532.db2.gz DAISHZKFPBOACT-NXEZZACHSA-N 1 0 314.367 0.656 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H](O)C2CCCCC2)c1 ZINC000581548351 396564070 /nfs/dbraw/zinc/56/40/70/396564070.db2.gz FDPSGZSFUFXODH-KBPBESRZSA-N 1 0 312.370 0.683 20 5 DCBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000293935081 396642577 /nfs/dbraw/zinc/64/25/77/396642577.db2.gz QTCYDALSWRXKCA-CQSZACIVSA-N 1 0 307.354 0.736 20 5 DCBDRO CNS(=O)(=O)[C@@H]1CCN(Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595395873 396601456 /nfs/dbraw/zinc/60/14/56/396601456.db2.gz QAIBMBASVLJACS-MRVPVSSYSA-N 1 0 304.328 0.015 20 5 DCBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC2)N1 ZINC000595397937 396601870 /nfs/dbraw/zinc/60/18/70/396601870.db2.gz NBTMGPXFRIBOKR-UHFFFAOYSA-N 1 0 322.296 0.908 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000595588127 396635146 /nfs/dbraw/zinc/63/51/46/396635146.db2.gz LBVZWUBOUVIQMM-AWEZNQCLSA-N 1 0 324.381 0.949 20 5 DCBDRO O=C1CCCN1C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000595827282 396667858 /nfs/dbraw/zinc/66/78/58/396667858.db2.gz BHHMUTKCKJVFLV-LBPRGKRZSA-N 1 0 307.354 0.736 20 5 DCBDRO O=C(N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1(O)C[NH2+]C1 ZINC000595940453 396687965 /nfs/dbraw/zinc/68/79/65/396687965.db2.gz RFTCHVIKJWECLR-UHFFFAOYSA-N 1 0 321.333 0.299 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588863560 396695894 /nfs/dbraw/zinc/69/58/94/396695894.db2.gz QBRACHCNBULZLO-ZIAGYGMSSA-N 1 0 305.334 0.876 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000588866141 396696630 /nfs/dbraw/zinc/69/66/30/396696630.db2.gz BTZXRNSPHOKSGN-MRVPVSSYSA-N 1 0 307.310 0.123 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000563090383 396701104 /nfs/dbraw/zinc/70/11/04/396701104.db2.gz OUELDYOKGPZUCB-VIFPVBQESA-N 1 0 319.325 0.021 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H](CO)c2ccccc2)c1 ZINC000563144475 396707955 /nfs/dbraw/zinc/70/79/55/396707955.db2.gz WTEPYCIGZTZFTE-DZGCQCFKSA-N 1 0 320.349 0.518 20 5 DCBDRO [NH3+]C[C@H](NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000563156257 396709853 /nfs/dbraw/zinc/70/98/53/396709853.db2.gz KCXIPGWIEWYDOE-LBPRGKRZSA-N 1 0 322.365 0.780 20 5 DCBDRO O=c1[nH]ccc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596153347 396724936 /nfs/dbraw/zinc/72/49/36/396724936.db2.gz YMMKQCWKRQUSBJ-NSHDSACASA-N 1 0 308.338 0.854 20 5 DCBDRO Cc1cnc(N(CC[NH+](C)C)CC(=O)N(C)C)c([N+](=O)[O-])c1 ZINC000596461706 396781902 /nfs/dbraw/zinc/78/19/02/396781902.db2.gz IMJGYCZUXXJTBU-UHFFFAOYSA-N 1 0 309.370 0.754 20 5 DCBDRO COc1ccc(C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000316414328 396795750 /nfs/dbraw/zinc/79/57/50/396795750.db2.gz BDRORXZFUVNBGJ-TVQRCGJNSA-N 1 0 309.322 0.792 20 5 DCBDRO COC(=O)[C@@H]1CN(c2ccc(N)c([N+](=O)[O-])n2)CC[N@H+](C)C1 ZINC000596274106 396750640 /nfs/dbraw/zinc/75/06/40/396750640.db2.gz ZBHUMEWNGURCNC-VIFPVBQESA-N 1 0 309.326 0.113 20 5 DCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2c([N+](=O)[O-])cnn2C)C1 ZINC000611235191 396841976 /nfs/dbraw/zinc/84/19/76/396841976.db2.gz FOTMFERUUQKUND-JTQLQIEISA-N 1 0 311.342 0.169 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000320712052 396813963 /nfs/dbraw/zinc/81/39/63/396813963.db2.gz KMOPAIIGIBWIPL-HIFRSBDPSA-N 1 0 320.349 0.345 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000331639538 396873051 /nfs/dbraw/zinc/87/30/51/396873051.db2.gz PIEPCKZVRVHHBF-QWRGUYRKSA-N 1 0 307.354 0.819 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600527380 396882926 /nfs/dbraw/zinc/88/29/26/396882926.db2.gz OTRMUOYKYAIPHE-LLVKDONJSA-N 1 0 309.322 0.400 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000600669204 396911425 /nfs/dbraw/zinc/91/14/25/396911425.db2.gz JIYTVRWFDREPHN-ITGUQSILSA-N 1 0 311.363 0.775 20 5 DCBDRO COc1cc(CNC[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000600677022 396914111 /nfs/dbraw/zinc/91/41/11/396914111.db2.gz AOZZKRSTUUUQTI-LLVKDONJSA-N 1 0 311.338 0.690 20 5 DCBDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000618375043 396973370 /nfs/dbraw/zinc/97/33/70/396973370.db2.gz ZUBZLGBJAKUSGB-NSHDSACASA-N 1 0 306.322 0.910 20 5 DCBDRO Cc1cc(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c(C)cc1[N+](=O)[O-] ZINC000601346558 397071061 /nfs/dbraw/zinc/07/10/61/397071061.db2.gz RWMMSNSLONYYSK-QWRGUYRKSA-N 1 0 311.363 0.946 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000592308007 397149337 /nfs/dbraw/zinc/14/93/37/397149337.db2.gz LHAWWRTXXAJJCJ-ZANVPECISA-N 1 0 309.322 0.792 20 5 DCBDRO CN1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@H](C[NH3+])C1 ZINC000592308180 397149751 /nfs/dbraw/zinc/14/97/51/397149751.db2.gz ADKOACTYHBHBTQ-GFCCVEGCSA-N 1 0 308.338 0.075 20 5 DCBDRO C[C@@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000592370575 397163069 /nfs/dbraw/zinc/16/30/69/397163069.db2.gz SJFKSHDNUMPBMN-ZJUUUORDSA-N 1 0 314.367 0.738 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](C)C[NH3+] ZINC000592381574 397164166 /nfs/dbraw/zinc/16/41/66/397164166.db2.gz WSWZVRVQBBNSBQ-MRVPVSSYSA-N 1 0 303.340 0.477 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000592469414 397184101 /nfs/dbraw/zinc/18/41/01/397184101.db2.gz NWDVNDAIQZMZEC-UHFFFAOYSA-N 1 0 307.354 0.154 20 5 DCBDRO CS(=O)(=O)NC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000619747954 397188266 /nfs/dbraw/zinc/18/82/66/397188266.db2.gz HOHLZABVCJLONM-UHFFFAOYSA-N 1 0 317.342 0.904 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364082231 397180500 /nfs/dbraw/zinc/18/05/00/397180500.db2.gz ZTBNRTQYQLSFBJ-GFCCVEGCSA-N 1 0 320.349 0.453 20 5 DCBDRO [NH3+][C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000598913272 397306756 /nfs/dbraw/zinc/30/67/56/397306756.db2.gz HQSUQASPLBDELR-NEPJUHHUSA-N 1 0 318.333 0.919 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000599097257 397334952 /nfs/dbraw/zinc/33/49/52/397334952.db2.gz CGFSRWCIGLEJQR-UHFFFAOYSA-N 1 0 305.382 0.982 20 5 DCBDRO CCN(CC[NH3+])S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000599098529 397336124 /nfs/dbraw/zinc/33/61/24/397336124.db2.gz LROJJVVXJDGBTN-UHFFFAOYSA-N 1 0 301.368 0.748 20 5 DCBDRO COC(=O)c1cnc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175725 397353391 /nfs/dbraw/zinc/35/33/91/397353391.db2.gz JPRBADKTSUUELZ-SNVBAGLBSA-N 1 0 310.310 0.255 20 5 DCBDRO CN(C)C(=O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602593061 397445417 /nfs/dbraw/zinc/44/54/17/397445417.db2.gz HERLRPABEPLLKV-UHFFFAOYSA-N 1 0 307.354 0.636 20 5 DCBDRO CN(CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1[N+](=O)[O-] ZINC000602593342 397445866 /nfs/dbraw/zinc/44/58/66/397445866.db2.gz ZNDNEBVLDZNFQZ-TXEJJXNPSA-N 1 0 304.350 0.994 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000369998408 397447193 /nfs/dbraw/zinc/44/71/93/397447193.db2.gz RVFXQXFFJWDIDM-ZIAGYGMSSA-N 1 0 309.370 0.322 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000593604648 397406695 /nfs/dbraw/zinc/40/66/95/397406695.db2.gz CYANVVGOHYVEIE-AWEZNQCLSA-N 1 0 311.313 0.459 20 5 DCBDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000578865761 397494610 /nfs/dbraw/zinc/49/46/10/397494610.db2.gz OZLNMACLMRSPHQ-GFCCVEGCSA-N 1 0 322.365 0.845 20 5 DCBDRO C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000599919402 397540720 /nfs/dbraw/zinc/54/07/20/397540720.db2.gz VUKGMSWANOJELY-QWRGUYRKSA-N 1 0 308.338 0.943 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000579831582 397594107 /nfs/dbraw/zinc/59/41/07/397594107.db2.gz AWPMLBAHMQSCIX-LBPRGKRZSA-N 1 0 312.351 0.364 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833508 397623442 /nfs/dbraw/zinc/62/34/42/397623442.db2.gz QEMJFDCCPPWEDE-SCRDCRAPSA-N 1 0 307.350 0.486 20 5 DCBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000609833215 397793527 /nfs/dbraw/zinc/79/35/27/397793527.db2.gz BFJLYHWWKAJVIO-LBPRGKRZSA-N 1 0 322.365 0.747 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000087384105 158092147 /nfs/dbraw/zinc/09/21/47/158092147.db2.gz JOLNCNHVXTYJBW-JTQLQIEISA-N 1 0 315.351 0.619 20 5 DCBDRO CC[N@H+](C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000112926301 158143758 /nfs/dbraw/zinc/14/37/58/158143758.db2.gz XHAFFEWZJGLUQX-UHFFFAOYSA-N 1 0 318.337 0.857 20 5 DCBDRO O=[N+]([O-])c1cccnc1NCCCC[NH+]1CCN(CCO)CC1 ZINC000114450764 158152909 /nfs/dbraw/zinc/15/29/09/158152909.db2.gz QUSILZTZDFRGQN-UHFFFAOYSA-N 1 0 323.397 0.792 20 5 DCBDRO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[NH+]1CCC(C)CC1 ZINC000124289564 158239871 /nfs/dbraw/zinc/23/98/71/158239871.db2.gz CQFJXKWTTQGZRJ-NSHDSACASA-N 1 0 310.358 0.423 20 5 DCBDRO C[NH2+]CCCN(C)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000127096025 158270420 /nfs/dbraw/zinc/27/04/20/158270420.db2.gz SXSKVUOGZJXARA-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261892728 158751403 /nfs/dbraw/zinc/75/14/03/158751403.db2.gz NXSGMAWPHPVXPD-OAHLLOKOSA-N 1 0 318.377 0.643 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368050081 159371984 /nfs/dbraw/zinc/37/19/84/159371984.db2.gz YPOHUGKVNFLIHK-GHMZBOCLSA-N 1 0 320.349 0.770 20 5 DCBDRO C[C@H](C[NH3+])N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420291881 287286519 /nfs/dbraw/zinc/28/65/19/287286519.db2.gz OGSCGMOLZZYUIQ-SNVBAGLBSA-N 1 0 301.368 0.648 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-] ZINC000269504570 415252826 /nfs/dbraw/zinc/25/28/26/415252826.db2.gz ZPQOGBLITQNWRZ-UHFFFAOYSA-N 1 0 313.358 0.749 20 5 DCBDRO C[NH+]1CCC([C@@H]2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)CC1 ZINC000332139849 415264283 /nfs/dbraw/zinc/26/42/83/415264283.db2.gz NBGMJDARQXLHRY-GFCCVEGCSA-N 1 0 322.369 0.377 20 5 DCBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352678071 415274466 /nfs/dbraw/zinc/27/44/66/415274466.db2.gz WZYPMDZWNVNHII-VZAFDTFASA-N 1 0 322.365 0.507 20 5 DCBDRO [NH3+]C1(CNC(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000342595477 415221988 /nfs/dbraw/zinc/22/19/88/415221988.db2.gz BTKPPLFJNXCFRX-UHFFFAOYSA-N 1 0 321.333 0.906 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353402192 415530475 /nfs/dbraw/zinc/53/04/75/415530475.db2.gz QJYHFLQEBMXNOM-RYUDHWBXSA-N 1 0 307.354 0.558 20 5 DCBDRO Cc1nn(CCC(=O)NC[C@@H]2CC[N@@H+](C)C2)c(C)c1[N+](=O)[O-] ZINC000104185211 415623817 /nfs/dbraw/zinc/62/38/17/415623817.db2.gz DXVOVYVEPBKCSW-LBPRGKRZSA-N 1 0 309.370 0.866 20 5 DCBDRO CN(CC[N@H+](C)C1CC1)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000354084778 415750067 /nfs/dbraw/zinc/75/00/67/415750067.db2.gz ZXHUTBCSPFXZSH-UHFFFAOYSA-N 1 0 308.338 0.309 20 5 DCBDRO CNc1c(C(=O)NCC[N@H+](C)CCOC)cccc1[N+](=O)[O-] ZINC000336860286 415842906 /nfs/dbraw/zinc/84/29/06/415842906.db2.gz PLZDRJQJKICUSM-UHFFFAOYSA-N 1 0 310.354 0.945 20 5 DCBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000344431315 415915303 /nfs/dbraw/zinc/91/53/03/415915303.db2.gz BHGOQNPSYGGDID-RISCZKNCSA-N 1 0 322.365 0.483 20 5 DCBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000297018425 415946945 /nfs/dbraw/zinc/94/69/45/415946945.db2.gz GVFLNEGEJKOYID-CMPLNLGQSA-N 1 0 309.370 0.975 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000356738898 415979643 /nfs/dbraw/zinc/97/96/43/415979643.db2.gz FRFUMAKZVGLXBO-MNOVXSKESA-N 1 0 307.354 0.885 20 5 DCBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])cc(C(N)=O)c1=O ZINC000298523879 416012716 /nfs/dbraw/zinc/01/27/16/416012716.db2.gz VINSZRSEFFSKDX-SNVBAGLBSA-N 1 0 308.338 0.730 20 5 DCBDRO C[N@H+](CCCS(N)(=O)=O)CCc1cccc([N+](=O)[O-])c1 ZINC000338363362 416084680 /nfs/dbraw/zinc/08/46/80/416084680.db2.gz UXBKHKDXDQEDNP-UHFFFAOYSA-N 1 0 301.368 0.748 20 5 DCBDRO [NH3+]CCCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000357814274 416136277 /nfs/dbraw/zinc/13/62/77/416136277.db2.gz KFGAGBOXDNEUJC-UHFFFAOYSA-N 1 0 309.322 0.764 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)C1 ZINC000358043833 416177036 /nfs/dbraw/zinc/17/70/36/416177036.db2.gz AWRXVHGETFYJAJ-OAHLLOKOSA-N 1 0 318.333 0.873 20 5 DCBDRO [NH3+]C[C@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000358123857 416196718 /nfs/dbraw/zinc/19/67/18/416196718.db2.gz JUWLPZBWEIDQCZ-UONOGXRCSA-N 1 0 320.349 0.360 20 5 DCBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330668793 416226456 /nfs/dbraw/zinc/22/64/56/416226456.db2.gz ZFDMRAQPUQZDNC-UTUOFQBUSA-N 1 0 324.385 0.669 20 5 DCBDRO COCC1(O)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000341748895 416230044 /nfs/dbraw/zinc/23/00/44/416230044.db2.gz CNRQDZDDAGYZTJ-UHFFFAOYSA-N 1 0 311.338 0.230 20 5 DCBDRO CCS(=O)(=O)N1CC(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000190288346 416278066 /nfs/dbraw/zinc/27/80/66/416278066.db2.gz WYWCLZOBIFHUJW-UHFFFAOYSA-N 1 0 313.379 0.966 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467855 416317654 /nfs/dbraw/zinc/31/76/54/416317654.db2.gz HTOFUTBTIDQAJV-UFBFGSQYSA-N 1 0 305.338 0.785 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000358897906 416291267 /nfs/dbraw/zinc/29/12/67/416291267.db2.gz FDYXLBLXMZVFBW-UHFFFAOYSA-N 1 0 307.354 0.784 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359325639 416341483 /nfs/dbraw/zinc/34/14/83/416341483.db2.gz VNVRHWPGEKKIPZ-QWRGUYRKSA-N 1 0 320.349 0.693 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])cccc1[N+](=O)[O-] ZINC000419756599 416408873 /nfs/dbraw/zinc/40/88/73/416408873.db2.gz GZMJIUXVNQJQHN-SECBINFHSA-N 1 0 308.338 0.325 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cccc1[N+](=O)[O-] ZINC000419763093 416409730 /nfs/dbraw/zinc/40/97/30/416409730.db2.gz UGZWIPXAMMHNKH-SNVBAGLBSA-N 1 0 320.349 0.340 20 5 DCBDRO CC(C)(C[NH+]1CCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000458549444 416480008 /nfs/dbraw/zinc/48/00/08/416480008.db2.gz CQVRXZANDRVADC-UHFFFAOYSA-N 1 0 324.385 0.965 20 5 DCBDRO COC[C@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000423717366 416545730 /nfs/dbraw/zinc/54/57/30/416545730.db2.gz AVLNWZLCFACWRX-AWEZNQCLSA-N 1 0 319.321 1.036 20 5 DCBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])C2 ZINC000597709729 416596497 /nfs/dbraw/zinc/59/64/97/416596497.db2.gz ANNPRQQBBWUGBH-OAHLLOKOSA-N 1 0 319.365 1.130 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000597699577 416596918 /nfs/dbraw/zinc/59/69/18/416596918.db2.gz KFOKFOWATQFIQC-ONGXEEELSA-N 1 0 307.354 1.196 20 5 DCBDRO CN(CC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC000423996033 416602551 /nfs/dbraw/zinc/60/25/51/416602551.db2.gz VYBPFBRDVZNSIZ-NSHDSACASA-N 1 0 308.338 0.136 20 5 DCBDRO CC(C)C[NH2+]C1(CO)CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000596252970 416579602 /nfs/dbraw/zinc/57/96/02/416579602.db2.gz PFGJXZZEHYABKP-UHFFFAOYSA-N 1 0 324.385 0.544 20 5 DCBDRO COc1ccc(CC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000514937538 416682865 /nfs/dbraw/zinc/68/28/65/416682865.db2.gz QAHGYKAWDPZFAD-GFCCVEGCSA-N 1 0 322.365 0.247 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)s1 ZINC000440344312 416629931 /nfs/dbraw/zinc/62/99/31/416629931.db2.gz WOBGKFSMWKFUEM-MRVPVSSYSA-N 1 0 305.381 0.934 20 5 DCBDRO C[C@H]1C[NH2+]CC[C@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000440806014 416650101 /nfs/dbraw/zinc/65/01/01/416650101.db2.gz GWFJHWKOQYAINH-JGVFFNPUSA-N 1 0 305.381 0.933 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000425505745 416711322 /nfs/dbraw/zinc/71/13/22/416711322.db2.gz ZBZLVWBSNJJTTC-YPMHNXCESA-N 1 0 321.341 0.081 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(CO)COC2)n1 ZINC000517215503 416786876 /nfs/dbraw/zinc/78/68/76/416786876.db2.gz PFIYTFXHTOGMGS-VXGBXAGGSA-N 1 0 310.354 0.874 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000429102105 287334669 /nfs/dbraw/zinc/33/46/69/287334669.db2.gz YTTJFJWBMNXBCP-GHMZBOCLSA-N 1 0 324.385 0.695 20 5 DCBDRO [NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000518962930 416881743 /nfs/dbraw/zinc/88/17/43/416881743.db2.gz PXCRYVGFPYGJJD-RKDXNWHRSA-N 1 0 300.340 0.538 20 5 DCBDRO CCn1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])n1 ZINC000447251050 416975783 /nfs/dbraw/zinc/97/57/83/416975783.db2.gz XNBAJAUISDJNAP-BDAKNGLRSA-N 1 0 317.371 0.169 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CCC(OCCC[NH3+])CC2)c1[N+](=O)[O-] ZINC000429608248 416982566 /nfs/dbraw/zinc/98/25/66/416982566.db2.gz GHDCKWVPGKNMDP-UHFFFAOYSA-N 1 0 311.342 0.596 20 5 DCBDRO CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000521364865 417005650 /nfs/dbraw/zinc/00/56/50/417005650.db2.gz YIZSKMNBHMUJQO-UHFFFAOYSA-N 1 0 322.365 0.845 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])s3)CCN2C1=O ZINC000521462869 417012763 /nfs/dbraw/zinc/01/27/63/417012763.db2.gz PCSPYSHJEYGTKC-HTQZYQBOSA-N 1 0 310.335 0.040 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447900554 417035978 /nfs/dbraw/zinc/03/59/78/417035978.db2.gz CQACBOGSWHCMQP-KGLIPLIRSA-N 1 0 323.349 0.971 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449583280 417151377 /nfs/dbraw/zinc/15/13/77/417151377.db2.gz AWEOXMFSKMUSRZ-XKSSXDPKSA-N 1 0 312.374 0.679 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000570501661 417359339 /nfs/dbraw/zinc/35/93/39/417359339.db2.gz MMTRRRASGJOGTQ-LLVKDONJSA-N 1 0 322.365 0.888 20 5 DCBDRO COC(=O)COc1ccc(CN[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414862990 417309797 /nfs/dbraw/zinc/30/97/97/417309797.db2.gz AHOFMLBKCOIWHU-LLVKDONJSA-N 1 0 309.322 0.598 20 5 DCBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H](O)C[NH3+] ZINC000415055592 417324265 /nfs/dbraw/zinc/32/42/65/417324265.db2.gz NJZOBUDHVKNUTE-JTQLQIEISA-N 1 0 305.281 0.948 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000574582359 417486741 /nfs/dbraw/zinc/48/67/41/417486741.db2.gz GVKNGTHMBQFYPC-VHSXEESVSA-N 1 0 307.354 1.244 20 5 DCBDRO CNc1nccc(C(=O)N2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1[N+](=O)[O-] ZINC000571819174 417452401 /nfs/dbraw/zinc/45/24/01/417452401.db2.gz RFOQVQVKQKBYQC-WDEREUQCSA-N 1 0 319.365 1.340 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299277059 229023643 /nfs/dbraw/zinc/02/36/43/229023643.db2.gz OJVULQGGMKTWSV-GFCCVEGCSA-N 1 0 307.354 0.878 20 5 DCBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCC(=O)N1CC[NH2+]CC1 ZINC000320323533 261177364 /nfs/dbraw/zinc/17/73/64/261177364.db2.gz FPNVJAUNNZXKMV-UTCJRWHESA-N 1 0 318.333 0.156 20 5 DCBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cnc([N+](=O)[O-])n2)C[C@@H]1C ZINC000354421207 261217590 /nfs/dbraw/zinc/21/75/90/261217590.db2.gz FFZXSRDNIZCHBE-QWRGUYRKSA-N 1 0 310.358 0.518 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363223801 262106299 /nfs/dbraw/zinc/10/62/99/262106299.db2.gz JRPRLNYFROGAJJ-VXGBXAGGSA-N 1 0 323.353 0.079 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363688881 262127663 /nfs/dbraw/zinc/12/76/63/262127663.db2.gz DOSUVAOJQLECOX-GFCCVEGCSA-N 1 0 320.349 0.453 20 5 DCBDRO COc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000394078919 262161641 /nfs/dbraw/zinc/16/16/41/262161641.db2.gz ZKZVMRUAHAEFQK-LLVKDONJSA-N 1 0 308.338 0.237 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCO1 ZINC000417234955 262248396 /nfs/dbraw/zinc/24/83/96/262248396.db2.gz QRRQLVSEEGGZEX-CYBMUJFWSA-N 1 0 308.338 0.425 20 5 DCBDRO COCC[NH2+]CCNC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000417773819 262261803 /nfs/dbraw/zinc/26/18/03/262261803.db2.gz YCQFUIPDPBJEDY-UHFFFAOYSA-N 1 0 310.354 0.673 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000417908038 262265125 /nfs/dbraw/zinc/26/51/25/262265125.db2.gz HXMQNNPZKYMRFU-WCFLWFBJSA-N 1 0 322.369 0.560 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCCO1 ZINC000417950160 262265711 /nfs/dbraw/zinc/26/57/11/262265711.db2.gz VVNDBZWOYVPXBJ-CQSZACIVSA-N 1 0 322.365 0.815 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418376946 262275866 /nfs/dbraw/zinc/27/58/66/262275866.db2.gz IXHRKBAORKWODS-SNVBAGLBSA-N 1 0 306.322 0.729 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418774622 262288614 /nfs/dbraw/zinc/28/86/14/262288614.db2.gz DGCUDRVAIOBFKQ-NOZJJQNGSA-N 1 0 320.349 0.626 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418783607 262289519 /nfs/dbraw/zinc/28/95/19/262289519.db2.gz OUZFBFDFZBFGIA-ZANVPECISA-N 1 0 320.349 0.626 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418788159 262290278 /nfs/dbraw/zinc/29/02/78/262290278.db2.gz VFKZUDJFSSUDPH-NRUUGDAUSA-N 1 0 320.349 0.578 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)CC[NH2+]1 ZINC000418871371 262294251 /nfs/dbraw/zinc/29/42/51/262294251.db2.gz QRNZAILOTFYASW-NSHDSACASA-N 1 0 320.349 0.074 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1[N+](=O)[O-] ZINC000419152935 262313704 /nfs/dbraw/zinc/31/37/04/262313704.db2.gz OVZVFYDSEIVULG-MNOVXSKESA-N 1 0 320.349 0.640 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000419152981 262313743 /nfs/dbraw/zinc/31/37/43/262313743.db2.gz PEAKUJRNSVOPDE-LLVKDONJSA-N 1 0 320.349 0.594 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419239514 262322551 /nfs/dbraw/zinc/32/25/51/262322551.db2.gz ALQWYCBMBPQSPE-NXEZZACHSA-N 1 0 308.338 0.544 20 5 DCBDRO [NH3+][C@H]1CCCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000420400748 262373114 /nfs/dbraw/zinc/37/31/14/262373114.db2.gz FMYDWGVHVOGSTH-LBPRGKRZSA-N 1 0 313.379 0.890 20 5 DCBDRO CN(CC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420468891 262374525 /nfs/dbraw/zinc/37/45/25/262374525.db2.gz HTABXXJOGMBDTK-UHFFFAOYSA-N 1 0 310.335 0.722 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CC[NH2+]C1 ZINC000428651736 262590955 /nfs/dbraw/zinc/59/09/55/262590955.db2.gz QTUYCMQMTAIJAL-NSHDSACASA-N 1 0 306.322 0.193 20 5 DCBDRO COC[C@@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000357273313 271047843 /nfs/dbraw/zinc/04/78/43/271047843.db2.gz OLKHRDNMGIEMHA-ZDUSSCGKSA-N 1 0 311.342 0.066 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000419266177 271280532 /nfs/dbraw/zinc/28/05/32/271280532.db2.gz GROJNBLIDXKBBA-GHMZBOCLSA-N 1 0 322.365 0.805 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420439733 271369487 /nfs/dbraw/zinc/36/94/87/271369487.db2.gz MRMJUTCVUIAPHZ-NXEZZACHSA-N 1 0 301.368 0.792 20 5 DCBDRO COC[C@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000422931209 271393181 /nfs/dbraw/zinc/39/31/81/271393181.db2.gz BACMSNBLXJUYIU-HNNXBMFYSA-N 1 0 322.365 0.749 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000493256161 272177981 /nfs/dbraw/zinc/17/79/81/272177981.db2.gz NZCOPPWASBAGHL-DTRQGZQOSA-N 1 0 309.297 0.933 20 5 DCBDRO CN1C[C@@H](C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)OC1=O ZINC000495650192 272261678 /nfs/dbraw/zinc/26/16/78/272261678.db2.gz HAPNQTQEONJHMV-JQWIXIFHSA-N 1 0 321.337 0.927 20 5 DCBDRO C[C@@H](CN(C)C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000514597382 272399524 /nfs/dbraw/zinc/39/95/24/272399524.db2.gz NGELAOIYMPDSQB-NSHDSACASA-N 1 0 315.395 0.908 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000537545864 287866466 /nfs/dbraw/zinc/86/64/66/287866466.db2.gz ICCQZAKJUDDXED-UHFFFAOYSA-N 1 0 311.338 0.668 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(c3c([N+](=O)[O-])c(C)nn3C)C2)CC1 ZINC000106478503 276201851 /nfs/dbraw/zinc/20/18/51/276201851.db2.gz BGKKWUAMWPKCIB-ZDUSSCGKSA-N 1 0 322.413 0.853 20 5 DCBDRO CO[C@H](C[NH3+])CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000261614544 277328455 /nfs/dbraw/zinc/32/84/55/277328455.db2.gz BKIBEMJKFFJEGO-LBPRGKRZSA-N 1 0 322.365 0.607 20 5 DCBDRO CC1(C)CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000212279430 278343305 /nfs/dbraw/zinc/34/33/05/278343305.db2.gz PNNYUXJOXHWGSE-UHFFFAOYSA-N 1 0 314.367 0.430 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H](C)[NH2+]C ZINC000261759879 280198558 /nfs/dbraw/zinc/19/85/58/280198558.db2.gz OFNBMMSRGPLTFB-PSASIEDQSA-N 1 0 312.374 0.551 20 5 DCBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cn1 ZINC000552208242 288269378 /nfs/dbraw/zinc/26/93/78/288269378.db2.gz HYBTUEQIJNYRIP-AWEZNQCLSA-N 1 0 306.322 0.176 20 5 DCBDRO [NH3+]CCn1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000564669315 288758582 /nfs/dbraw/zinc/75/85/82/288758582.db2.gz FKYQMOIRPXUEOG-UHFFFAOYSA-N 1 0 324.728 0.728 20 5 DCBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151729703 289301482 /nfs/dbraw/zinc/30/14/82/289301482.db2.gz JCOVGFUONUGTEK-VXGBXAGGSA-N 1 0 324.385 0.963 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC3CS(=O)(=O)C3)C2)c1 ZINC001652215915 1173764971 /nfs/dbraw/zinc/76/49/71/1173764971.db2.gz OWGDLMIVRMJIQK-UHFFFAOYSA-N 1 0 314.367 0.519 20 5 DCBDRO CNC(=O)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000029165925 331839312 /nfs/dbraw/zinc/83/93/12/331839312.db2.gz MCZCCCBEDSCJSF-UHFFFAOYSA-N 1 0 320.349 0.652 20 5 DCBDRO CCOc1cc(N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000583704975 337092470 /nfs/dbraw/zinc/09/24/70/337092470.db2.gz XMBOXLMUPOVANM-NEPJUHHUSA-N 1 0 320.349 0.742 20 5 DCBDRO CCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC001577663460 1159264687 /nfs/dbraw/zinc/26/46/87/1159264687.db2.gz UJWCIGPRMKZAJG-SECBINFHSA-N 1 0 317.371 0.184 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000576703812 341859343 /nfs/dbraw/zinc/85/93/43/341859343.db2.gz RQWSTPOJXZDFKR-HUUCEWRRSA-N 1 0 320.349 0.345 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000330903326 533915672 /nfs/dbraw/zinc/91/56/72/533915672.db2.gz LPDAHGZWZLJISH-GHMZBOCLSA-N 1 0 308.338 0.355 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1[N+](=O)[O-] ZINC000366309443 522898596 /nfs/dbraw/zinc/89/85/96/522898596.db2.gz NXEXYRHKPKWUEX-GDGBQDQQSA-N 1 0 313.335 0.100 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2N)C1 ZINC000267237749 523866010 /nfs/dbraw/zinc/86/60/10/523866010.db2.gz ICEKWOOPJMTWPO-SNVBAGLBSA-N 1 0 308.338 0.628 20 5 DCBDRO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)N1CC[NH+](C)CC1 ZINC000129644021 524713611 /nfs/dbraw/zinc/71/36/11/524713611.db2.gz RZCKBVNISZFJTE-JTQLQIEISA-N 1 0 323.353 0.061 20 5 DCBDRO C[C@H]1CSCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000249022963 524751173 /nfs/dbraw/zinc/75/11/73/524751173.db2.gz LBCVBQURENLKFH-ZYHUDNBSSA-N 1 0 300.384 0.837 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[NH2+]CC1 ZINC000237550323 525345425 /nfs/dbraw/zinc/34/54/25/525345425.db2.gz ZVQDVXRDNLONIO-LLVKDONJSA-N 1 0 320.349 0.535 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000237928500 527363018 /nfs/dbraw/zinc/36/30/18/527363018.db2.gz PCPVFOCKNGVOAH-LLVKDONJSA-N 1 0 301.306 0.954 20 5 DCBDRO NS(=O)(=O)c1ccc(OCC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000122471652 545751667 /nfs/dbraw/zinc/75/16/67/545751667.db2.gz AGHFEKNEFJXQFH-VIFPVBQESA-N 1 0 315.351 0.621 20 5 DCBDRO O=C(c1ccc(-n2cncn2)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1 ZINC000237874320 545957824 /nfs/dbraw/zinc/95/78/24/545957824.db2.gz XJTLBHVGYMYMHH-UHFFFAOYSA-N 1 0 316.321 0.611 20 5 DCBDRO CC(C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735856460 598499954 /nfs/dbraw/zinc/49/99/54/598499954.db2.gz HHMVZTCMILHDLS-UHFFFAOYSA-N 1 0 306.330 0.922 20 5 DCBDRO CN(C[C@H]1CC[N@H+](C)C1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736848859 598501799 /nfs/dbraw/zinc/50/17/99/598501799.db2.gz OICUEEGBIFMBJZ-VIFPVBQESA-N 1 0 318.341 0.558 20 5 DCBDRO C[N@@H+]1CC[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821622026 606706568 /nfs/dbraw/zinc/70/65/68/606706568.db2.gz PGJUTIHHUUQVSU-MRVPVSSYSA-N 1 0 304.314 0.534 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891396585 658682378 /nfs/dbraw/zinc/68/23/78/658682378.db2.gz LAIRUCCHJGHACP-JQWIXIFHSA-N 1 0 306.322 0.859 20 5 DCBDRO CCc1cnc(CN[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001022064109 658819989 /nfs/dbraw/zinc/81/99/89/658819989.db2.gz WPUOOGUPGIOTSZ-RBLKWDMZSA-N 1 0 308.338 0.639 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000892602894 658976633 /nfs/dbraw/zinc/97/66/33/658976633.db2.gz GZJZATKYQCPOPR-UHFFFAOYSA-N 1 0 309.370 0.877 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC1 ZINC001025799462 659565870 /nfs/dbraw/zinc/56/58/70/659565870.db2.gz ULPGBNQFANBSAX-IAZYJMLFSA-N 1 0 319.365 0.675 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCNCC[NH2+]CC1 ZINC000925893777 661394841 /nfs/dbraw/zinc/39/48/41/661394841.db2.gz KDWMIPUOJKKWNW-UHFFFAOYSA-N 1 0 307.354 0.930 20 5 DCBDRO COC(=O)[C@H]1[C@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1(F)F ZINC000894343486 661907251 /nfs/dbraw/zinc/90/72/51/661907251.db2.gz CXQBZZVQJXBURM-DTWKUNHWSA-N 1 0 304.253 0.435 20 5 DCBDRO O=C(NCC1C[NH2+]C1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000262032365 661972892 /nfs/dbraw/zinc/97/28/92/661972892.db2.gz PAEIIYQPQKFPPQ-UHFFFAOYSA-N 1 0 302.294 0.125 20 5 DCBDRO C[C@H]1CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000730080341 663044929 /nfs/dbraw/zinc/04/49/29/663044929.db2.gz BXJLTTUSHKEPML-GXTWGEPZSA-N 1 0 309.366 0.970 20 5 DCBDRO NC(=O)CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000990423166 663047382 /nfs/dbraw/zinc/04/73/82/663047382.db2.gz OEIREOJQFYPHEC-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000901217962 663331033 /nfs/dbraw/zinc/33/10/33/663331033.db2.gz JLWMULDUNAAYPK-BLLLJJGKSA-N 1 0 319.361 0.935 20 5 DCBDRO CN1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000911879294 664118552 /nfs/dbraw/zinc/11/85/52/664118552.db2.gz LKRPDDPBQTWIDJ-ZDUSSCGKSA-N 1 0 324.356 0.768 20 5 DCBDRO C[NH2+]C1CC(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000912365595 664166610 /nfs/dbraw/zinc/16/66/10/664166610.db2.gz USQHDZOYPHLBKV-UHFFFAOYSA-N 1 0 319.365 0.636 20 5 DCBDRO CNc1c(C(=O)N(C)CC[N@H+](C)CCO)cccc1[N+](=O)[O-] ZINC000912605206 664192473 /nfs/dbraw/zinc/19/24/73/664192473.db2.gz IRDGWEUKCZBNQG-UHFFFAOYSA-N 1 0 310.354 0.633 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000912610505 664195002 /nfs/dbraw/zinc/19/50/02/664195002.db2.gz GUJUVUAPFQBPCW-UHFFFAOYSA-N 1 0 324.381 0.779 20 5 DCBDRO CN1CCN(C(=O)Cc2cccc(F)c2[N+](=O)[O-])C[C@@H]1CO ZINC000913540958 664343608 /nfs/dbraw/zinc/34/36/08/664343608.db2.gz BPVPBSIXCJLKCC-LLVKDONJSA-N 1 0 311.313 0.411 20 5 DCBDRO Cc1ncc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000917094936 665115478 /nfs/dbraw/zinc/11/54/78/665115478.db2.gz OPRLNTDODIVYBV-HUUCEWRRSA-N 1 0 318.333 0.877 20 5 DCBDRO O=[N+]([O-])c1cnn(CN2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000917463014 665133262 /nfs/dbraw/zinc/13/32/62/665133262.db2.gz MKDQABVEBFEQLV-UHFFFAOYSA-N 1 0 309.370 0.793 20 5 DCBDRO Cn1nccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997768967 665335654 /nfs/dbraw/zinc/33/56/54/665335654.db2.gz LKEOFGGNXZGQNI-ZIAGYGMSSA-N 1 0 321.381 0.414 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923368011 667517952 /nfs/dbraw/zinc/51/79/52/667517952.db2.gz ZKPGNWJKGJNFOE-UONOGXRCSA-N 1 0 309.370 0.228 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886830450 667803934 /nfs/dbraw/zinc/80/39/34/667803934.db2.gz RFPWXOBBMUXTPQ-BNOWGMLFSA-N 1 0 310.354 0.653 20 5 DCBDRO [NH3+]C[C@H]1CN(CCn2ccc([N+](=O)[O-])n2)C[C@H]1C(F)(F)F ZINC000872152170 667869377 /nfs/dbraw/zinc/86/93/77/667869377.db2.gz ZZYROOPDXHONMK-DTWKUNHWSA-N 1 0 307.276 0.860 20 5 DCBDRO Cc1nn(C)c(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1[N+](=O)[O-] ZINC000887934701 667932940 /nfs/dbraw/zinc/93/29/40/667932940.db2.gz REURSRQLQFEOGC-YGRLFVJLSA-N 1 0 307.354 0.660 20 5 DCBDRO COC(=O)C[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000754511500 668046937 /nfs/dbraw/zinc/04/69/37/668046937.db2.gz AWTZKUIPVQIBRH-RYUDHWBXSA-N 1 0 312.326 0.084 20 5 DCBDRO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839667760 668129958 /nfs/dbraw/zinc/12/99/58/668129958.db2.gz YYEGDOYYRGKSNM-BFHYXJOUSA-N 1 0 310.398 0.280 20 5 DCBDRO COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839748891 668140562 /nfs/dbraw/zinc/14/05/62/668140562.db2.gz YLSAMGFAZXRNDE-ZYHUDNBSSA-N 1 0 306.322 0.404 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874843076 668226652 /nfs/dbraw/zinc/22/66/52/668226652.db2.gz LOXJSOWMYJTXKB-NEPJUHHUSA-N 1 0 307.354 0.795 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3COCCO3)CC2)cn1 ZINC000876951113 668541039 /nfs/dbraw/zinc/54/10/39/668541039.db2.gz DQZKFWWZGKPOTL-AWEZNQCLSA-N 1 0 322.365 0.964 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C[C@@H]3CN4CCC[C@H]4CO3)C2)c1 ZINC000877022232 668553676 /nfs/dbraw/zinc/55/36/76/668553676.db2.gz QUPGREFVADXGBH-PQNSMMMDSA-N 1 0 321.381 0.948 20 5 DCBDRO COCCN1CC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877046938 668557253 /nfs/dbraw/zinc/55/72/53/668557253.db2.gz VBDIEXZOLVGRMT-PNESKVBLSA-N 1 0 309.370 0.805 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000877567769 668629628 /nfs/dbraw/zinc/62/96/28/668629628.db2.gz RTIVODTVNFYLCZ-TXEJJXNPSA-N 1 0 303.318 0.916 20 5 DCBDRO CS(=O)(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774155787 668824537 /nfs/dbraw/zinc/82/45/37/668824537.db2.gz DDLQAYMDSXOKBT-QWRGUYRKSA-N 1 0 316.383 0.909 20 5 DCBDRO Cc1cc(C(=O)NCCOCC[NH+](C)C)c(N)c([N+](=O)[O-])c1 ZINC000777782050 668891620 /nfs/dbraw/zinc/89/16/20/668891620.db2.gz OVJDOJIPVRRXAX-UHFFFAOYSA-N 1 0 310.354 0.793 20 5 DCBDRO C[C@H](CCO)[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000779394182 668910523 /nfs/dbraw/zinc/91/05/23/668910523.db2.gz BKEDUAOWWXGDLI-SNVBAGLBSA-N 1 0 317.367 0.234 20 5 DCBDRO CN1C(=O)[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]2C1=O ZINC000879532146 669056230 /nfs/dbraw/zinc/05/62/30/669056230.db2.gz QYAOYBBEDIYZQV-BETUJISGSA-N 1 0 319.317 0.520 20 5 DCBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000802138061 670152183 /nfs/dbraw/zinc/15/21/83/670152183.db2.gz ZJPYRRSTRAQCCX-LBPRGKRZSA-N 1 0 312.326 0.444 20 5 DCBDRO CC(C)[N@@H+]1CCOC2(CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000949365906 670323507 /nfs/dbraw/zinc/32/35/07/670323507.db2.gz LKGKLXOUFMVUJN-CHWSQXEVSA-N 1 0 311.382 0.753 20 5 DCBDRO O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855402303 670705020 /nfs/dbraw/zinc/70/50/20/670705020.db2.gz XFMXNEBKXMSXGB-RRFJBIMHSA-N 1 0 319.361 0.535 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848767902 670724615 /nfs/dbraw/zinc/72/46/15/670724615.db2.gz RSOFOXNDUWMXJF-NWDGAFQWSA-N 1 0 320.349 0.210 20 5 DCBDRO CCCNC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000849018405 670750533 /nfs/dbraw/zinc/75/05/33/670750533.db2.gz RIGVVDNDUPMBFW-UHFFFAOYSA-N 1 0 314.367 0.892 20 5 DCBDRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818362417 671008461 /nfs/dbraw/zinc/00/84/61/671008461.db2.gz WGDXUPLRHAGKTB-KCJUWKMLSA-N 1 0 306.322 0.975 20 5 DCBDRO O=C1CCC(=O)N1CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819025293 671085923 /nfs/dbraw/zinc/08/59/23/671085923.db2.gz LRVQIJQHZITTON-ZDUSSCGKSA-N 1 0 321.333 0.757 20 5 DCBDRO C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819018661 671085994 /nfs/dbraw/zinc/08/59/94/671085994.db2.gz WLYZMDJUWMWTMD-IUODEOHRSA-N 1 0 309.366 0.939 20 5 DCBDRO CC[S@@](=O)CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000819048476 671089716 /nfs/dbraw/zinc/08/97/16/671089716.db2.gz ZNBJGXKDPQHCDQ-LAJNKCICSA-N 1 0 316.379 0.693 20 5 DCBDRO NS(=O)(=O)CCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819333038 671112723 /nfs/dbraw/zinc/11/27/23/671112723.db2.gz ZWEHAURBGPIFIN-LBPRGKRZSA-N 1 0 317.367 0.287 20 5 DCBDRO COC(=O)[C@]1(OC)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859556931 671125829 /nfs/dbraw/zinc/12/58/29/671125829.db2.gz FODLTOWZEXPOGU-HIFRSBDPSA-N 1 0 324.333 0.892 20 5 DCBDRO [NH3+]CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](O)CO ZINC000852753833 671156922 /nfs/dbraw/zinc/15/69/22/671156922.db2.gz JASLDSTWIOGJNI-NSHDSACASA-N 1 0 303.746 0.362 20 5 DCBDRO Nc1ccc(-c2noc(C[C@@H]3COCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822635288 671334978 /nfs/dbraw/zinc/33/49/78/671334978.db2.gz VERQBEVFFBTPOS-SECBINFHSA-N 1 0 305.294 0.758 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000827328266 671522744 /nfs/dbraw/zinc/52/27/44/671522744.db2.gz DKJFOPMLRVCLGG-WCQYABFASA-N 1 0 320.349 0.309 20 5 DCBDRO [NH3+]C[C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000832545054 671724622 /nfs/dbraw/zinc/72/46/22/671724622.db2.gz ZJAWQSTYEUCOKL-SNVBAGLBSA-N 1 0 303.322 0.752 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834525400 671769519 /nfs/dbraw/zinc/76/95/19/671769519.db2.gz PJWYLRDVVOQWLD-SNVBAGLBSA-N 1 0 308.338 0.508 20 5 DCBDRO COC[C@]1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000834765130 671779006 /nfs/dbraw/zinc/77/90/06/671779006.db2.gz QJFGYYWNFBGLEP-CQSZACIVSA-N 1 0 308.338 0.675 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2c(C)c([N+](=O)[O-])ccc2F)C1 ZINC000841149876 671915382 /nfs/dbraw/zinc/91/53/82/671915382.db2.gz NTXROWCWXFGKEO-VIFPVBQESA-N 1 0 324.312 0.801 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841989644 671971297 /nfs/dbraw/zinc/97/12/97/671971297.db2.gz VYLXDDTWLGCNGS-LLVKDONJSA-N 1 0 307.354 0.774 20 5 DCBDRO Cc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000843072088 672058703 /nfs/dbraw/zinc/05/87/03/672058703.db2.gz AAVUTOPCXCKYNI-UKRRQHHQSA-N 1 0 320.349 0.784 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CC[C@@H](O)c2ccccc2)c1 ZINC000843087689 672060566 /nfs/dbraw/zinc/06/05/66/672060566.db2.gz KTYUPXJYABGCDA-HUUCEWRRSA-N 1 0 320.349 0.866 20 5 DCBDRO Cn1nccc1[C@@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843107834 672062633 /nfs/dbraw/zinc/06/26/33/672062633.db2.gz LAEZCHOGTRFYLM-TZMCWYRMSA-N 1 0 306.322 0.685 20 5 DCBDRO C[NH+]1CCN(C[C@H](O)COc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000844944321 672210586 /nfs/dbraw/zinc/21/05/86/672210586.db2.gz AWIMQCHJWMYAHL-LBPRGKRZSA-N 1 0 313.329 0.721 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)Nc2c(C)cncc2[N+](=O)[O-])C1 ZINC001670514458 1157454145 /nfs/dbraw/zinc/45/41/45/1157454145.db2.gz DWBATAGBEDFZEG-NSHDSACASA-N 1 0 323.353 0.562 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C(N)=O)CC1 ZINC001567554120 1160419274 /nfs/dbraw/zinc/41/92/74/1160419274.db2.gz NGNDLMHFHZKMRU-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO C[C@]([NH3+])(C(=O)NC[C@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC001576082001 1164233503 /nfs/dbraw/zinc/23/35/03/1164233503.db2.gz RNSATDWTWKFIAD-GXTWGEPZSA-N 1 0 309.322 0.300 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC001576151730 1164253378 /nfs/dbraw/zinc/25/33/78/1164253378.db2.gz BTWJQNBVAAQNGG-JTQLQIEISA-N 1 0 308.338 0.520 20 5 DCBDRO C[C@]([NH3+])(C(=O)NC[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC001576508195 1164369057 /nfs/dbraw/zinc/36/90/57/1164369057.db2.gz OPTHTJGORNAPPI-HUUCEWRRSA-N 1 0 320.349 0.554 20 5 DCBDRO CCCC[C@@H](C[NH3+])NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001577390225 1164682590 /nfs/dbraw/zinc/68/25/90/1164682590.db2.gz IEZAHSWPMSKWCA-LBPRGKRZSA-N 1 0 322.365 0.958 20 5 DCBDRO COc1c(C(=O)NC[C@@]2(C)C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC001579134844 1165219262 /nfs/dbraw/zinc/21/92/62/1165219262.db2.gz LXOTXNWJBATWED-CQSZACIVSA-N 1 0 309.322 0.712 20 5 DCBDRO COc1cc(OC[C@@H]2CC3(C[NH2+]C3)C(=O)O2)ccc1[N+](=O)[O-] ZINC001579171542 1165230980 /nfs/dbraw/zinc/23/09/80/1165230980.db2.gz YEUZEAMKTSOWER-JTQLQIEISA-N 1 0 308.290 0.887 20 5 DCBDRO O=C(CC1(O)CC[NH2+]CC1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001580501361 1165624085 /nfs/dbraw/zinc/62/40/85/1165624085.db2.gz SQYQNIJLYMRBIF-UHFFFAOYSA-N 1 0 305.334 0.989 20 5 DCBDRO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1C[NH2+]C[C@@H]1O ZINC001580542399 1165633298 /nfs/dbraw/zinc/63/32/98/1165633298.db2.gz PNULPPWZCIDTLU-PWSUYJOCSA-N 1 0 313.741 0.630 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001580561898 1165639894 /nfs/dbraw/zinc/63/98/94/1165639894.db2.gz DYMUJMUEGADCSE-JTQLQIEISA-N 1 0 307.306 0.221 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001580579043 1165643723 /nfs/dbraw/zinc/64/37/23/1165643723.db2.gz SYBBQPVOXHPDIY-ZSBIGDGJSA-N 1 0 320.349 0.403 20 5 DCBDRO O=C(NC[C@H]1CC[NH2+]1)c1cc([N+](=O)[O-])ccc1SCCO ZINC001580662057 1165678128 /nfs/dbraw/zinc/67/81/28/1165678128.db2.gz ZXPDAPQXWDDUAY-SECBINFHSA-N 1 0 311.363 0.771 20 5 DCBDRO O=C1O[C@H](CN2CCc3ccc([N+](=O)[O-])cc32)CC12C[NH2+]C2 ZINC001580853879 1165739510 /nfs/dbraw/zinc/73/95/10/1165739510.db2.gz XMDRMUUDKULCBH-LBPRGKRZSA-N 1 0 303.318 0.862 20 5 DCBDRO O=[N+]([O-])c1cccc(CS(=O)(=O)N2CC3(C2)CC[NH2+]C3)c1 ZINC001580875776 1165748317 /nfs/dbraw/zinc/74/83/17/1165748317.db2.gz QTPGUDCCRVVSCX-UHFFFAOYSA-N 1 0 311.363 0.720 20 5 DCBDRO CC(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001589714522 1166677317 /nfs/dbraw/zinc/67/73/17/1166677317.db2.gz UPYCOZIZHGMGDO-UHFFFAOYSA-N 1 0 318.341 0.700 20 5 DCBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589834597 1166694045 /nfs/dbraw/zinc/69/40/45/1166694045.db2.gz OFBDATHLXKDRMC-SECBINFHSA-N 1 0 306.326 0.978 20 5 DCBDRO CN(CCOCCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001591115617 1167106372 /nfs/dbraw/zinc/10/63/72/1167106372.db2.gz SJIXYIVUWGTZLQ-UHFFFAOYSA-N 1 0 322.325 0.216 20 5 DCBDRO CO[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC001591474117 1167304713 /nfs/dbraw/zinc/30/47/13/1167304713.db2.gz GORFCYSMWTUBGS-NSHDSACASA-N 1 0 304.310 0.996 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001595676287 1167975199 /nfs/dbraw/zinc/97/51/99/1167975199.db2.gz LBIIRXGPZXTRGA-UHFFFAOYSA-N 1 0 319.749 0.669 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC001596787871 1167995884 /nfs/dbraw/zinc/99/58/84/1167995884.db2.gz MNQYXRHLJWRKKU-FOGDFJRCSA-N 1 0 323.353 0.642 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001603084188 1169245998 /nfs/dbraw/zinc/24/59/98/1169245998.db2.gz COISLMDDCGGQNQ-LBPRGKRZSA-N 1 0 307.354 0.558 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605044613 1169794036 /nfs/dbraw/zinc/79/40/36/1169794036.db2.gz ORWIDTSEENFRAG-LBPRGKRZSA-N 1 0 307.314 0.551 20 5 DCBDRO O=[N+]([O-])c1ccc(-c2nn[nH]n2)cc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001607082786 1170383886 /nfs/dbraw/zinc/38/38/86/1170383886.db2.gz SJMJSUVUEIIBBL-NXEZZACHSA-N 1 0 301.310 0.431 20 5 DCBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609114714 1170813701 /nfs/dbraw/zinc/81/37/01/1170813701.db2.gz SUIQKMQHBLLZQZ-BDAKNGLRSA-N 1 0 306.326 0.881 20 5 DCBDRO O=c1cc([C@H]2CC[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)[nH]c(=O)[nH]1 ZINC001619396678 1171401389 /nfs/dbraw/zinc/40/13/89/1171401389.db2.gz OHKJCHYEMRYIBH-VIFPVBQESA-N 1 0 320.309 0.482 20 5 DCBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)[C@@H]1CN(C)CCO1 ZINC001622416690 1171424784 /nfs/dbraw/zinc/42/47/84/1171424784.db2.gz ZWVIOXUFZASNHU-ZANVPECISA-N 1 0 308.338 0.626 20 5 DCBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O)[C@@H]1C[N@H+](C)CCN1C ZINC001641305697 1171911808 /nfs/dbraw/zinc/91/18/08/1171911808.db2.gz CXTWCVUQILZNFD-CABZTGNLSA-N 1 0 323.353 0.060 20 5 DCBDRO CCc1n[nH]c(C(=O)N[C@@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001641853165 1171930943 /nfs/dbraw/zinc/93/09/43/1171930943.db2.gz ZANRQADUQJSQMW-SECBINFHSA-N 1 0 311.342 0.067 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001644666488 1172013329 /nfs/dbraw/zinc/01/33/29/1172013329.db2.gz ZDQHVWIFWYKDHB-LBPRGKRZSA-N 1 0 309.370 0.900 20 5 DCBDRO Cn1ccnc1C1(O)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC001648212048 1173069987 /nfs/dbraw/zinc/06/99/87/1173069987.db2.gz FXKAARXPPIBCBD-UHFFFAOYSA-N 1 0 320.353 0.508 20 5 DCBDRO Nc1ncc(C(=O)NCCNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC001650725183 1173731027 /nfs/dbraw/zinc/73/10/27/1173731027.db2.gz WKIAPDUKEATNBX-UHFFFAOYSA-N 1 0 302.294 0.231 20 5 DCBDRO COC(=O)c1ccnc(N2CC([NH2+][C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001651456855 1173749054 /nfs/dbraw/zinc/74/90/54/1173749054.db2.gz HGLNHWVPYYZSQP-SECBINFHSA-N 1 0 322.321 0.344 20 5 DCBDRO O=c1[nH]ccc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001651495591 1173749550 /nfs/dbraw/zinc/74/95/50/1173749550.db2.gz XATGLNMDMTUIRQ-MNOVXSKESA-N 1 0 308.338 0.731 20 5 DCBDRO Cn1nnc2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)ccc21 ZINC001655842016 1173829429 /nfs/dbraw/zinc/82/94/29/1173829429.db2.gz WCLNWDDNDBCALA-UHFFFAOYSA-N 1 0 301.310 0.863 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(CO)COC(C)(C)OC1 ZINC001658493734 1173922854 /nfs/dbraw/zinc/92/28/54/1173922854.db2.gz ZFAQIOWTRBCYFN-UHFFFAOYSA-N 1 0 314.342 0.203 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)[C@@H]3CCCOC3)C2)c1 ZINC001659452865 1173932679 /nfs/dbraw/zinc/93/26/79/1173932679.db2.gz YVAWVPSZSYCNMU-MLCFOIATSA-N 1 0 310.354 0.872 20 5 DCBDRO Cc1c(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC001680072956 1175777459 /nfs/dbraw/zinc/77/74/59/1175777459.db2.gz IWAFVHWWBDJTFZ-CYBMUJFWSA-N 1 0 322.365 0.769 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cn[nH]n1 ZINC001699280799 1178023999 /nfs/dbraw/zinc/02/39/99/1178023999.db2.gz ZRJXPGAJCZZYAH-ARJAWSKDSA-N 1 0 316.321 0.789 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000158621612 1180564621 /nfs/dbraw/zinc/56/46/21/1180564621.db2.gz VRRNOJRNJHJYJJ-ZDUSSCGKSA-N 1 0 314.363 0.795 20 5 DCBDRO Cc1ccncc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001712945975 1180575984 /nfs/dbraw/zinc/57/59/84/1180575984.db2.gz PNAOBZMFJMZUEO-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO Cn1cc(C[NH2+]CC2(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCCC2)cn1 ZINC001732228232 1185741722 /nfs/dbraw/zinc/74/17/22/1185741722.db2.gz DZKVOTFSHDGMIH-CHWSQXEVSA-N 1 0 321.381 0.604 20 5 DCBDRO COc1cc(C[NH2+]CCCS(C)(=O)=O)c([N+](=O)[O-])cc1O ZINC001620776762 1164285706 /nfs/dbraw/zinc/28/57/06/1164285706.db2.gz QKRHVJPBNYTEOG-UHFFFAOYSA-N 1 0 318.351 0.833 20 5 DCBDRO CCOc1nc(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164669220 719416991 /nfs/dbraw/zinc/41/69/91/719416991.db2.gz LITIGRWHLGCZLQ-VXGBXAGGSA-N 1 0 308.338 0.908 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3OCC[C@H]3C2)nc1C1C[NH2+]C1 ZINC001167219244 747023400 /nfs/dbraw/zinc/02/34/00/747023400.db2.gz BXLMMWWHHXUCFD-JOYOIKCWSA-N 1 0 305.338 0.687 20 5 DCBDRO O=C(CCc1nnc[nH]1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125419498 747125873 /nfs/dbraw/zinc/12/58/73/747125873.db2.gz HOYOIPNHUVHHNZ-UHFFFAOYSA-N 1 0 318.337 0.552 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1ncnc2[nH]cc([N+](=O)[O-])c21 ZINC001167895027 748468650 /nfs/dbraw/zinc/46/86/50/748468650.db2.gz BZBDFYPRYMCXND-SSDOTTSWSA-N 1 0 308.298 0.559 20 5 DCBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC(=O)NC2=O)c([N+](=O)[O-])c1 ZINC001170307451 762613040 /nfs/dbraw/zinc/61/30/40/762613040.db2.gz GACHLEKMULHNER-JOYOIKCWSA-N 1 0 321.333 0.929 20 5 DCBDRO Cc1ncc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001086083142 759692809 /nfs/dbraw/zinc/69/28/09/759692809.db2.gz OSWWHXNOUPXLCF-YXCITZCRSA-N 1 0 319.365 0.435 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2cnns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086084235 759695077 /nfs/dbraw/zinc/69/50/77/759695077.db2.gz IYYOMYRIVNHTAT-JZSSXWJLSA-N 1 0 311.367 0.188 20 5 DCBDRO Cc1nc(C)c(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001086363218 760101301 /nfs/dbraw/zinc/10/13/01/760101301.db2.gz IBPXZXFCXUSGBR-FDYHWXHSSA-N 1 0 322.365 0.941 20 5 DCBDRO O=C(NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnon1 ZINC001168875995 760493017 /nfs/dbraw/zinc/49/30/17/760493017.db2.gz XEEPNTZTLKPCDO-UHFFFAOYSA-N 1 0 305.294 0.888 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013447 760544103 /nfs/dbraw/zinc/54/41/03/760544103.db2.gz VHHBWXQVFVMWBJ-RCWTZXSCSA-N 1 0 312.288 0.792 20 5 DCBDRO CN(C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)S(C)(=O)=O ZINC001169033900 760551733 /nfs/dbraw/zinc/55/17/33/760551733.db2.gz DUACYAZZACQMQS-WCQYABFASA-N 1 0 319.427 0.788 20 5 DCBDRO COC(=O)[C@@H]1COCCC12C[NH+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2 ZINC001169036178 760554909 /nfs/dbraw/zinc/55/49/09/760554909.db2.gz FQMUZSNDVNRAAQ-XQQFMLRXSA-N 1 0 312.366 0.943 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(-n2nncc2C[NH3+])cc1OC ZINC001169312245 760631166 /nfs/dbraw/zinc/63/11/66/760631166.db2.gz UCNLGRCUUDPNQJ-UHFFFAOYSA-N 1 0 307.266 0.429 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1CNCCNC(=O)C1([NH+](C)C)CCC1 ZINC001129351689 760948821 /nfs/dbraw/zinc/94/88/21/760948821.db2.gz MRLSHJAASKLTHY-UHFFFAOYSA-N 1 0 324.385 0.018 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170017978 761524212 /nfs/dbraw/zinc/52/42/12/761524212.db2.gz XOUXGQXJXPVYTG-UHFFFAOYSA-N 1 0 313.277 0.281 20 5 DCBDRO Cc1noc(CCC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001157767713 762770801 /nfs/dbraw/zinc/77/08/01/762770801.db2.gz RZODLCJOXILLNW-GHMZBOCLSA-N 1 0 311.342 0.072 20 5 DCBDRO COc1cnc(NCCOCCOCC[NH3+])cc1[N+](=O)[O-] ZINC001170507404 763398873 /nfs/dbraw/zinc/39/88/73/763398873.db2.gz HYXZSPFFDORWRO-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO [NH3+]CCOCCOCCNc1ccc2ncc([N+](=O)[O-])n2c1 ZINC001170511024 763444258 /nfs/dbraw/zinc/44/42/58/763444258.db2.gz KJDJNMDADIFNCC-UHFFFAOYSA-N 1 0 309.326 0.646 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)n1 ZINC001170566188 763846509 /nfs/dbraw/zinc/84/65/09/763846509.db2.gz XJFAWOFEQCXYJX-KWQFWETISA-N 1 0 310.310 0.565 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnnc1 ZINC001134283297 765457180 /nfs/dbraw/zinc/45/71/80/765457180.db2.gz AYZUJVYRPYYIMX-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO CCOC(=O)c1cnc(N[C@@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001170772074 765670110 /nfs/dbraw/zinc/67/01/10/765670110.db2.gz GUKFOCDKBBJERM-VHSXEESVSA-N 1 0 310.310 0.159 20 5 DCBDRO CCOC(=O)c1ccc(N[C@@H]2C[NH2+]C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC001170783215 765755436 /nfs/dbraw/zinc/75/54/36/765755436.db2.gz QTSXMQFRAQLKFB-ZYHUDNBSSA-N 1 0 309.322 0.764 20 5 DCBDRO COc1nc(N[C@@H](C)[C@H]2C[NH2+]CCO2)nc(OC)c1[N+](=O)[O-] ZINC001159496589 766005133 /nfs/dbraw/zinc/00/51/33/766005133.db2.gz KJXCDNKXFQOSJE-JGVFFNPUSA-N 1 0 313.314 0.191 20 5 DCBDRO CC[C@@]([NH3+])(CO)Nc1cc2c(c([N+](=O)[O-])c1)N(C(C)=O)CC2 ZINC001170865625 766168629 /nfs/dbraw/zinc/16/86/29/766168629.db2.gz GIEOQRUMCNOKTM-AWEZNQCLSA-N 1 0 308.338 0.973 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ncc(OCC)cc1[N+](=O)[O-] ZINC001170991580 766368003 /nfs/dbraw/zinc/36/80/03/766368003.db2.gz ARVBLOULDKDZFN-UHFFFAOYSA-N 1 0 312.326 0.717 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001118861491 766451401 /nfs/dbraw/zinc/45/14/01/766451401.db2.gz JJUPGRKIOTUSLS-GBIKHYSHSA-N 1 0 320.349 0.639 20 5 DCBDRO O=[N+]([O-])c1ccc(OS(=O)(=O)C[C@H]2C[NH2+]CCO2)cc1F ZINC001580875580 1165749395 /nfs/dbraw/zinc/74/93/95/1165749395.db2.gz NRQTXEIXXHLIMZ-SECBINFHSA-N 1 0 320.298 0.431 20 5 DCBDRO CNC(=O)[C@@H](C[NH2+]CC[N+](=O)[O-])Cc1ccc(OC)c(F)c1 ZINC001120607131 767093105 /nfs/dbraw/zinc/09/31/05/767093105.db2.gz BPBLCSXAEFQZRO-LLVKDONJSA-N 1 0 313.329 0.605 20 5 DCBDRO C[C@@H]1CN(c2nnc(C[N+](=O)[O-])n2C)CCN1c1cc[nH+]cc1 ZINC001121299964 767503758 /nfs/dbraw/zinc/50/37/58/767503758.db2.gz STIVGPKTMIQRKU-LLVKDONJSA-N 1 0 317.353 0.702 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCNCC[NH2+]CC1 ZINC001122288262 767760960 /nfs/dbraw/zinc/76/09/60/767760960.db2.gz PQKFNBIWSUKYDH-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001138718404 768434238 /nfs/dbraw/zinc/43/42/38/768434238.db2.gz MJRFTSQFSOHGGC-UHFFFAOYSA-N 1 0 305.722 0.015 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(NCCNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001093769060 768719825 /nfs/dbraw/zinc/71/98/25/768719825.db2.gz VPWRJJDKLLEVAY-UHFFFAOYSA-N 1 0 319.365 0.922 20 5 DCBDRO C[NH+](C)C1(C(=O)NCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CCC1 ZINC001093926976 768772191 /nfs/dbraw/zinc/77/21/91/768772191.db2.gz SETNSZWFKBFVGU-UHFFFAOYSA-N 1 0 323.353 0.708 20 5 DCBDRO CC(=O)NCC(=O)NCCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC001231259357 769211637 /nfs/dbraw/zinc/21/16/37/769211637.db2.gz XPOXWZMJDVASTL-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC([NH2+]C2CCOCC2)CC1 ZINC001175493405 769908857 /nfs/dbraw/zinc/90/88/57/769908857.db2.gz SUVMAPXLRZRIDK-UHFFFAOYSA-N 1 0 323.353 0.691 20 5 DCBDRO CC(F)(F)CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001154855647 770316739 /nfs/dbraw/zinc/31/67/39/770316739.db2.gz YYKTWGNGJNMQAM-UHFFFAOYSA-N 1 0 302.285 0.862 20 5 DCBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])C(C)(C)[NH3+] ZINC001155368204 770478290 /nfs/dbraw/zinc/47/82/90/770478290.db2.gz DMPAMKSMTOKSGZ-SECBINFHSA-N 1 0 318.717 0.572 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(NCc2nnn3c2C[NH2+]CCC3)n1 ZINC001155394507 770490328 /nfs/dbraw/zinc/49/03/28/770490328.db2.gz YAPSDAMNABKGEU-UHFFFAOYSA-N 1 0 304.314 0.390 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(NCc2nnc3n2CCC[NH2+]C3)n1 ZINC001155430721 770499964 /nfs/dbraw/zinc/49/99/64/770499964.db2.gz OKOZZUPSBQTNPA-UHFFFAOYSA-N 1 0 304.314 0.390 20 5 DCBDRO O=[N+]([O-])c1cnc(N[C@@H]2COCCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001155460996 770510060 /nfs/dbraw/zinc/51/00/60/770510060.db2.gz GIPAOQYLSDNIEE-SNVBAGLBSA-N 1 0 309.282 0.688 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1NCc1noc2c1C[NH2+]CC2 ZINC001155498070 770524924 /nfs/dbraw/zinc/52/49/24/770524924.db2.gz QZWAGJLWTSLXKQ-UHFFFAOYSA-N 1 0 305.294 0.782 20 5 DCBDRO COc1cc(C)nc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155571368 770548617 /nfs/dbraw/zinc/54/86/17/770548617.db2.gz SEIDYHUAMMUDOH-RNCFNFMXSA-N 1 0 307.310 0.297 20 5 DCBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)n1 ZINC001155571414 770548816 /nfs/dbraw/zinc/54/88/16/770548816.db2.gz SPPRAXZYRAMCNZ-PELKAZGASA-N 1 0 311.729 0.942 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N2CC[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001156229254 770756644 /nfs/dbraw/zinc/75/66/44/770756644.db2.gz WLJCMZJRMXENRY-YFKPBYRVSA-N 1 0 301.690 0.362 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(-n2c(C)ncc(C[NH3+])c2=N)n1 ZINC001156826231 770937063 /nfs/dbraw/zinc/93/70/63/770937063.db2.gz WNGUSUOHMCKVBA-UHFFFAOYSA-N 1 0 309.717 0.779 20 5 DCBDRO O=C1SCC[C@@H]1Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001157175836 771551334 /nfs/dbraw/zinc/55/13/34/771551334.db2.gz JLMPPVDJKASVQQ-QMMMGPOBSA-N 1 0 324.366 0.238 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(-n2cc3c(n2)CC[C@@H]([NH3+])C3)n1 ZINC001157989461 771707952 /nfs/dbraw/zinc/70/79/52/771707952.db2.gz QGJFDJBAJCBAHX-SECBINFHSA-N 1 0 304.310 0.704 20 5 DCBDRO COC(=O)c1cnc(-n2nc(CC[NH3+])nc2C)c([N+](=O)[O-])c1 ZINC001158129588 771729527 /nfs/dbraw/zinc/72/95/27/771729527.db2.gz ZAVVCNGQBQOBDQ-UHFFFAOYSA-N 1 0 306.282 0.167 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2Cl)CN1 ZINC001158253764 771745585 /nfs/dbraw/zinc/74/55/85/771745585.db2.gz AUGBYFCPDZHPAM-MUWHJKNJSA-N 1 0 300.702 0.959 20 5 DCBDRO Nc1nc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001158262726 771749620 /nfs/dbraw/zinc/74/96/20/771749620.db2.gz UYLUZXSTTCWQLL-SNVBAGLBSA-N 1 0 306.370 0.574 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001158635336 771797671 /nfs/dbraw/zinc/79/76/71/771797671.db2.gz GRBWQYDYYVJOBR-SMDDNHRTSA-N 1 0 306.322 0.721 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ncc([N+](=O)[O-])cc1F)CC2 ZINC001158638577 771799186 /nfs/dbraw/zinc/79/91/86/771799186.db2.gz STNOSTUNPRSDJS-BXUZGUMPSA-N 1 0 324.312 0.860 20 5 DCBDRO CN(C)/C=C/c1cc(N2C[C@H]([NH3+])C3(COC3)C2)ncc1[N+](=O)[O-] ZINC001158765727 771819243 /nfs/dbraw/zinc/81/92/43/771819243.db2.gz JHJCJYVDAGFABY-OOPCZODUSA-N 1 0 319.365 0.686 20 5 DCBDRO CC1(C)OC[C@@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)O1 ZINC001158931336 771836337 /nfs/dbraw/zinc/83/63/37/771836337.db2.gz JQFOBEVIKOYXLO-SECBINFHSA-N 1 0 309.326 0.635 20 5 DCBDRO COC(=O)[C@@H]1C[C@H]1CNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001161048602 772158586 /nfs/dbraw/zinc/15/85/86/772158586.db2.gz KSUVZDYPDIDGHJ-IONNQARKSA-N 1 0 307.310 0.293 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(NCc2nnc3n2CCC[NH2+]C3)n1 ZINC001163010722 772442786 /nfs/dbraw/zinc/44/27/86/772442786.db2.gz CQEKKIYBHCHQAK-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO Cc1cc(NCc2nnc3n2CCC[NH2+]C3)ncc1[N+](=O)[O-] ZINC001163017535 772444603 /nfs/dbraw/zinc/44/46/03/772444603.db2.gz JGBNRSGYBSGICH-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ncnc3sc([N+](=O)[O-])cc32)N1 ZINC001163239387 772487374 /nfs/dbraw/zinc/48/73/74/772487374.db2.gz FMBPSYIZKSICHK-KRTXAFLBSA-N 1 0 320.334 0.590 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2ccc3nc[nH]c3c2[N+](=O)[O-])N1 ZINC001163253994 772493872 /nfs/dbraw/zinc/49/38/72/772493872.db2.gz OJXYXZUMXJSCSI-NOZJJQNGSA-N 1 0 302.294 0.461 20 5 DCBDRO CC(=O)Nc1ccc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163255365 772494821 /nfs/dbraw/zinc/49/48/21/772494821.db2.gz YQXLJVMQEFCHDD-OCCSQVGLSA-N 1 0 319.321 0.543 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCOCC(F)(F)C2)nc1C1C[NH2+]C1 ZINC001163976908 772601247 /nfs/dbraw/zinc/60/12/47/772601247.db2.gz FOSYRWOPTFLQHX-UHFFFAOYSA-N 1 0 315.280 0.544 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](F)[C@@H](O)CC2)nc1C1C[NH2+]C1 ZINC001164241894 772629890 /nfs/dbraw/zinc/62/98/90/772629890.db2.gz GLWQFMKTWLBXLD-KOLCDFICSA-N 1 0 311.317 0.371 20 5 DCBDRO CN(c1ncnc2sc([N+](=O)[O-])cc21)S(=O)(=O)CC[NH3+] ZINC001164292434 772638590 /nfs/dbraw/zinc/63/85/90/772638590.db2.gz LNCPULZBRKVTQW-UHFFFAOYSA-N 1 0 317.352 0.324 20 5 DCBDRO COc1cc(N(C)S(=O)(=O)CC[NH3+])cc([N+](=O)[O-])c1C ZINC001164297537 772640622 /nfs/dbraw/zinc/64/06/22/772640622.db2.gz XLORXYPWFKNTCR-UHFFFAOYSA-N 1 0 303.340 0.637 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCO[C@@]2(C[NH2+]CCOC2)C1 ZINC001165343524 772725255 /nfs/dbraw/zinc/72/52/55/772725255.db2.gz GIOQVWWIPYSGMS-HNNXBMFYSA-N 1 0 322.365 0.884 20 5 DCBDRO Cc1nc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)ccc1[N+](=O)[O-] ZINC001165344178 772725387 /nfs/dbraw/zinc/72/53/87/772725387.db2.gz NXZAWWQVVLUMPC-HNNXBMFYSA-N 1 0 322.365 0.884 20 5 DCBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1cccc([N+](=O)[O-])n1 ZINC001165405590 772733654 /nfs/dbraw/zinc/73/36/54/772733654.db2.gz SZTPDEHTOXORPH-GARJFASQSA-N 1 0 306.322 0.720 20 5 DCBDRO COc1ncnc(N2C[C@@H](CF)[C@H](C3([NH3+])CC3)C2)c1[N+](=O)[O-] ZINC001165430331 772735989 /nfs/dbraw/zinc/73/59/89/772735989.db2.gz MSKUKHCRQGXBCM-RKDXNWHRSA-N 1 0 311.317 0.907 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1cnc2cc([N+](=O)[O-])ccc2n1 ZINC001165437501 772737129 /nfs/dbraw/zinc/73/71/29/772737129.db2.gz SNINCPLXBFSLAJ-LBPRGKRZSA-N 1 0 317.305 0.489 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001165438592 772737892 /nfs/dbraw/zinc/73/78/92/772737892.db2.gz HVFUIQSZLHOSGC-JTQLQIEISA-N 1 0 305.294 0.422 20 5 DCBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1cc(N)c([N+](=O)[O-])cn1 ZINC001166700110 772843715 /nfs/dbraw/zinc/84/37/15/772843715.db2.gz CEQRDRWOLAEEDV-VIFPVBQESA-N 1 0 301.310 0.662 20 5 DCBDRO N=c1nc([C@@H]2CCC[NH2+]2)ccn1-c1ncc([N+](=O)[O-])cc1N ZINC001166704074 772844663 /nfs/dbraw/zinc/84/46/63/772844663.db2.gz YOZXNOCNKSRTDI-JTQLQIEISA-N 1 0 301.310 0.662 20 5 DCBDRO COC(=O)C1(Nc2nc(OC)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166922568 772880367 /nfs/dbraw/zinc/88/03/67/772880367.db2.gz FGAGXRGIPTUOHR-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO CSc1nc(Cl)nc(N2CCO[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC001166940127 772884788 /nfs/dbraw/zinc/88/47/88/772884788.db2.gz BMFACSUSCYHPIM-LURJTMIESA-N 1 0 319.774 0.924 20 5 DCBDRO COC(=O)c1ccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)cc1 ZINC001206088278 773046166 /nfs/dbraw/zinc/04/61/66/773046166.db2.gz BJLBDDZRCDJDJE-CQSZACIVSA-N 1 0 310.370 0.974 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OC[C@@H]1COc2ccccc2O1 ZINC001206332398 773067763 /nfs/dbraw/zinc/06/77/63/773067763.db2.gz CKLCGEXEEKYYNS-OLZOCXBDSA-N 1 0 310.370 0.827 20 5 DCBDRO CC(C)COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001195761161 773469411 /nfs/dbraw/zinc/46/94/11/773469411.db2.gz KXAYXLVVRZCQEY-ZIAGYGMSSA-N 1 0 313.398 0.859 20 5 DCBDRO Cc1nccnc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001197543527 773764045 /nfs/dbraw/zinc/76/40/45/773764045.db2.gz QXQBRMBQRNNTBK-CMPLNLGQSA-N 1 0 306.326 0.601 20 5 DCBDRO COC(=O)c1ccccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001223042220 775455382 /nfs/dbraw/zinc/45/53/82/775455382.db2.gz PGIXEFSQGPGMAD-CYBMUJFWSA-N 1 0 310.370 0.974 20 5 DCBDRO COC(=O)c1nc(C)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001228934221 776140193 /nfs/dbraw/zinc/14/01/93/776140193.db2.gz YMXYISZCJAQKIO-LLVKDONJSA-N 1 0 311.358 0.539 20 5 DCBDRO CSc1cc(C)nc(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001229079662 776155768 /nfs/dbraw/zinc/15/57/68/776155768.db2.gz UYFHEEZPZJEYHZ-SNVBAGLBSA-N 1 0 300.404 0.870 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc2n[nH]cc2cc1[N+](=O)[O-] ZINC001230594984 776350487 /nfs/dbraw/zinc/35/04/87/776350487.db2.gz HZZHHIVGWIEHTR-SNVBAGLBSA-N 1 0 323.329 0.834 20 5 DCBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CNCCN2)c([N+](=O)[O-])c1 ZINC001246488278 945419713 /nfs/dbraw/zinc/41/97/13/945419713.db2.gz JLDSDOGKKCPDJI-DGCLKSJQSA-N 1 0 308.382 0.685 20 5 DCBDRO [NH3+][C@@H]1CN(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1O ZINC001246560111 945432922 /nfs/dbraw/zinc/43/29/22/945432922.db2.gz SYMQUPBAFKRBMG-HUUCEWRRSA-N 1 0 306.366 0.567 20 5 DCBDRO O=C1CC2(CN1)CC[NH+](CCn1cc([N+](=O)[O-])ccc1=O)CC2 ZINC001253768943 946180509 /nfs/dbraw/zinc/18/05/09/946180509.db2.gz IBAVBWVNXWJKLT-UHFFFAOYSA-N 1 0 320.349 0.359 20 5 DCBDRO [NH3+]CC1(NC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)COC1 ZINC001254467132 946397905 /nfs/dbraw/zinc/39/79/05/946397905.db2.gz ZMVRQYVFESSMHL-UHFFFAOYSA-N 1 0 306.366 0.881 20 5 DCBDRO COC(=O)CC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(N)=O ZINC001254586142 946413170 /nfs/dbraw/zinc/41/31/70/946413170.db2.gz HUMZYIXPUVRRFQ-AAEUAGOBSA-N 1 0 321.333 0.459 20 5 DCBDRO C[NH+]1CCN(C(C)(C)CNc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001322422498 946675465 /nfs/dbraw/zinc/67/54/65/946675465.db2.gz ATCPNCPKUUKEFI-UHFFFAOYSA-N 1 0 309.374 0.405 20 5 DCBDRO CN1CC[NH+](CC2CN(C(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC001261245675 947228105 /nfs/dbraw/zinc/22/81/05/947228105.db2.gz KMZJDWFMFLPFQA-UHFFFAOYSA-N 1 0 324.406 0.976 20 5 DCBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001324265060 947371104 /nfs/dbraw/zinc/37/11/04/947371104.db2.gz BAJBBKAUNYYHJJ-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO NC(=O)c1ccnc(N2CCC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001324649632 947492314 /nfs/dbraw/zinc/49/23/14/947492314.db2.gz MNYGSRLDCYQAMQ-JTQLQIEISA-N 1 0 305.338 0.763 20 5 DCBDRO C[C@@H]1COCCN1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001262010261 947529363 /nfs/dbraw/zinc/52/93/63/947529363.db2.gz ZCJFHERVTCOXNW-PNESKVBLSA-N 1 0 309.370 0.805 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001263261222 947827758 /nfs/dbraw/zinc/82/77/58/947827758.db2.gz XMVAHGRIOPUOIU-LBPRGKRZSA-N 1 0 323.349 0.811 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001325695527 947884436 /nfs/dbraw/zinc/88/44/36/947884436.db2.gz JHWSTYGQQAHKDV-LLVKDONJSA-N 1 0 322.365 0.888 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1 ZINC001325862101 947955725 /nfs/dbraw/zinc/95/57/25/947955725.db2.gz HMXQPBDQRLQYDA-GXFFZTMASA-N 1 0 314.363 0.653 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]1c1nc(CC(=O)NCc2ccc([N+](=O)[O-])cc2)no1 ZINC001325897105 947969552 /nfs/dbraw/zinc/96/95/52/947969552.db2.gz SJOOUVARWBTJRM-WDEREUQCSA-N 1 0 317.305 0.651 20 5 DCBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC001326046585 948032960 /nfs/dbraw/zinc/03/29/60/948032960.db2.gz HKFFYQRMGGZKSC-JTQLQIEISA-N 1 0 316.321 0.596 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC001326349074 948135818 /nfs/dbraw/zinc/13/58/18/948135818.db2.gz YQPDNBJVUVRBON-UHFFFAOYSA-N 1 0 323.353 0.265 20 5 DCBDRO C[NH2+][C@@H](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC001326490404 948179637 /nfs/dbraw/zinc/17/96/37/948179637.db2.gz GLEWJLYCDYWVMG-VIFPVBQESA-N 1 0 317.367 0.880 20 5 DCBDRO CCOC(=O)[C@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001326583974 948207243 /nfs/dbraw/zinc/20/72/43/948207243.db2.gz QLGWNYJUOOYSGY-CQSZACIVSA-N 1 0 323.349 0.811 20 5 DCBDRO O=C(NCC[NH2+]C1CC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001327515887 948537718 /nfs/dbraw/zinc/53/77/18/948537718.db2.gz FGVWKCOCFBUTQX-UHFFFAOYSA-N 1 0 306.322 0.079 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001335381994 952529407 /nfs/dbraw/zinc/52/94/07/952529407.db2.gz YDZSEYRRMCQPDS-SNVBAGLBSA-N 1 0 308.338 0.359 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1C[C@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001339666216 953110490 /nfs/dbraw/zinc/11/04/90/953110490.db2.gz LKIHKEGNWMDMAK-IJLUTSLNSA-N 1 0 308.386 0.758 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC001340861659 953199598 /nfs/dbraw/zinc/19/95/98/953199598.db2.gz DJLNBNJHTIHFTA-NSHDSACASA-N 1 0 313.379 0.726 20 5 DCBDRO O=C(N1CCC(n2ccc([N+](=O)[O-])n2)CC1)C12CC(C1)C[NH2+]2 ZINC001341771849 953249397 /nfs/dbraw/zinc/24/93/97/953249397.db2.gz NAPIRBGHGXXSRL-UHFFFAOYSA-N 1 0 305.338 0.707 20 5 DCBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001342251605 953279256 /nfs/dbraw/zinc/27/92/56/953279256.db2.gz XVICBITUHYLDNQ-GFCCVEGCSA-N 1 0 311.313 0.920 20 5 DCBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](CC2CC2)CC1 ZINC001342294221 953282299 /nfs/dbraw/zinc/28/22/99/953282299.db2.gz IAWXLPNNERYGAH-UHFFFAOYSA-N 1 0 324.385 0.233 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC001343180978 953327413 /nfs/dbraw/zinc/32/74/13/953327413.db2.gz RZCVCPCWSCKVOE-LLVKDONJSA-N 1 0 309.322 0.664 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001344387924 953479208 /nfs/dbraw/zinc/47/92/08/953479208.db2.gz RIFBOEVHPLLYSH-LLVKDONJSA-N 1 0 310.354 0.070 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccccc1C[NH3+] ZINC001349361868 954724199 /nfs/dbraw/zinc/72/41/99/954724199.db2.gz GCIWOJDBUWMKAV-UHFFFAOYSA-N 1 0 303.322 0.875 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001349809295 954890911 /nfs/dbraw/zinc/89/09/11/954890911.db2.gz ZSIRLQAXIZWEKH-JTQLQIEISA-N 1 0 308.338 0.407 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(c3nnc(C[N+](=O)[O-])n3CC3CC3)CC[C@@H]21 ZINC001350509442 955118550 /nfs/dbraw/zinc/11/85/50/955118550.db2.gz SGIKSYMMZXVUSH-STQMWFEESA-N 1 0 320.397 0.995 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3nnc(C[N+](=O)[O-])n3CC3CC3)CC[C@H]21 ZINC001350509439 955119385 /nfs/dbraw/zinc/11/93/85/955119385.db2.gz SGIKSYMMZXVUSH-CHWSQXEVSA-N 1 0 320.397 0.995 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC001351694022 955383582 /nfs/dbraw/zinc/38/35/82/955383582.db2.gz LQBFSHAYFPUCFD-UHFFFAOYSA-N 1 0 322.365 0.403 20 5 DCBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C[C@H]1CO ZINC001354593582 956442981 /nfs/dbraw/zinc/44/29/81/956442981.db2.gz NAPFOCOXNFTEPS-JTQLQIEISA-N 1 0 311.363 0.723 20 5 DCBDRO O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H]([NH2+]CCO)C1 ZINC001548496439 1016166294 /nfs/dbraw/zinc/16/62/94/1016166294.db2.gz VZPPNJFLIIIYDQ-LLVKDONJSA-N 1 0 311.313 0.920 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC001473390244 1016926274 /nfs/dbraw/zinc/92/62/74/1016926274.db2.gz DHXNYBAZUVZGGT-DMDPSCGWSA-N 1 0 307.354 0.686 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)c1 ZINC001473892987 1016988390 /nfs/dbraw/zinc/98/83/90/1016988390.db2.gz MSVTYSVNFNKHDC-GZBFAFLISA-N 1 0 310.350 0.551 20 5 DCBDRO CS(=O)(=O)c1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC001474054614 1017001200 /nfs/dbraw/zinc/00/12/00/1017001200.db2.gz LYGLGRRPBVEDEC-UHFFFAOYSA-N 1 0 324.362 0.985 20 5 DCBDRO C[NH+]1C[C@@]2(C)CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC001454284223 1009041858 /nfs/dbraw/zinc/04/18/58/1009041858.db2.gz GQFDINIARSIPIW-GJZGRUSLSA-N 1 0 319.365 0.986 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001442676081 1009609348 /nfs/dbraw/zinc/60/93/48/1009609348.db2.gz ZLDBBDDJHUIOBD-RYUDHWBXSA-N 1 0 323.353 0.079 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@@H]21 ZINC001557976355 1012311119 /nfs/dbraw/zinc/31/11/19/1012311119.db2.gz IGKBXEHLHOMOJS-KOLCDFICSA-N 1 0 305.338 0.738 20 5 DCBDRO Nc1ncc(C(=O)NC[C@H]2C[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC001558680467 1012375402 /nfs/dbraw/zinc/37/54/02/1012375402.db2.gz XSKPZMMEKRXHEG-NSHDSACASA-N 1 0 305.338 0.644 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(CCO)[C@@H](C)C1 ZINC001562587889 1012491505 /nfs/dbraw/zinc/49/15/05/1012491505.db2.gz VAUCYBRYUDOYNN-NSHDSACASA-N 1 0 323.353 0.250 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(CCO)C[C@H]1C ZINC001562587893 1012493312 /nfs/dbraw/zinc/49/33/12/1012493312.db2.gz VCHWPWXKOIRMHQ-LLVKDONJSA-N 1 0 323.353 0.250 20 5 DCBDRO CC[N@@H+]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC001564312538 1012520632 /nfs/dbraw/zinc/52/06/32/1012520632.db2.gz BOQNKYVRPVQBQW-LLVKDONJSA-N 1 0 310.358 0.527 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001519607166 1017220689 /nfs/dbraw/zinc/22/06/89/1017220689.db2.gz RNWAPNJEDQSICC-LLVKDONJSA-N 1 0 312.374 0.139 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000330859335 232118713 /nfs/dbraw/zinc/11/87/13/232118713.db2.gz RFUARFQSYNWHST-SKDRFNHKSA-N 1 0 307.354 0.984 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC[N@@H+]1C ZINC000330903330 232150729 /nfs/dbraw/zinc/15/07/29/232150729.db2.gz LPDAHGZWZLJISH-QWRGUYRKSA-N 1 0 308.338 0.355 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000156226499 290791023 /nfs/dbraw/zinc/79/10/23/290791023.db2.gz SPMHHYVLCVRFSU-VIFPVBQESA-N 1 0 314.367 0.430 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 ZINC000073082633 191277193 /nfs/dbraw/zinc/27/71/93/191277193.db2.gz YMYUDYFRIMCBDR-UHFFFAOYSA-N 1 0 322.365 0.337 20 5 DCBDRO C[C@H]([NH3+])C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000178860191 198942341 /nfs/dbraw/zinc/94/23/41/198942341.db2.gz NVECCPFUMSWUBK-JTQLQIEISA-N 1 0 308.338 0.342 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179056118 198974702 /nfs/dbraw/zinc/97/47/02/198974702.db2.gz YFZYLFOENGEVLP-GWCFXTLKSA-N 1 0 320.349 0.533 20 5 DCBDRO NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000301810658 283349789 /nfs/dbraw/zinc/34/97/89/283349789.db2.gz GSBBVXLCNDVPJB-GFCCVEGCSA-N 1 0 319.365 0.908 20 5 DCBDRO O=C(C[C@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000320755767 291257078 /nfs/dbraw/zinc/25/70/78/291257078.db2.gz FATBQNCREXJMNT-GFCCVEGCSA-N 1 0 319.365 0.781 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000566005162 291263501 /nfs/dbraw/zinc/26/35/01/291263501.db2.gz VQKRBLDHPBTGBC-ZYHUDNBSSA-N 1 0 306.326 0.022 20 5 DCBDRO NC(=O)CC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000566119898 291272210 /nfs/dbraw/zinc/27/22/10/291272210.db2.gz DAIMPCJTEGCYES-NSHDSACASA-N 1 0 323.349 0.580 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccc3c(c2)COC3)c1 ZINC000567345482 291349718 /nfs/dbraw/zinc/34/97/18/291349718.db2.gz JQDRXFUASGQCPS-OAHLLOKOSA-N 1 0 318.333 0.972 20 5 DCBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000567350025 291350258 /nfs/dbraw/zinc/35/02/58/291350258.db2.gz NXKCAXIKBQQDNX-CQSZACIVSA-N 1 0 304.306 0.769 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000567688548 291369866 /nfs/dbraw/zinc/36/98/66/291369866.db2.gz STUDZRSOECPGRN-CYBMUJFWSA-N 1 0 324.312 0.960 20 5 DCBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)Cn2cccn2)cc1 ZINC000567691248 291370381 /nfs/dbraw/zinc/37/03/81/291370381.db2.gz SPEDWWUNGSVKCF-CYBMUJFWSA-N 1 0 306.322 0.821 20 5 DCBDRO O=C(CC[NH2+]C[C@@H]1CNC(=O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000567693343 291370673 /nfs/dbraw/zinc/37/06/73/291370673.db2.gz PWHZFJJQKVGEOL-SNVBAGLBSA-N 1 0 306.322 0.649 20 5 DCBDRO C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CN1C1CC1 ZINC000567725653 291373174 /nfs/dbraw/zinc/37/31/74/291373174.db2.gz DJZLWUATDTWXIA-SUNKGSAMSA-N 1 0 309.370 0.367 20 5 DCBDRO Cn1cc([C@@H](CO)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000275205540 212194879 /nfs/dbraw/zinc/19/48/79/212194879.db2.gz REYFYSZIYOMEHC-KGLIPLIRSA-N 1 0 306.322 0.685 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264816778 204179736 /nfs/dbraw/zinc/17/97/36/204179736.db2.gz ZAEXKQCKSUMOII-ZDUSSCGKSA-N 1 0 306.366 0.879 20 5 DCBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000288242279 220038058 /nfs/dbraw/zinc/03/80/58/220038058.db2.gz XCSXLJSGWHDWGI-UHFFFAOYSA-N 1 0 324.385 0.330 20 5 DCBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CC(=O)N(C)C1=O ZINC000282538356 217072950 /nfs/dbraw/zinc/07/29/50/217072950.db2.gz RFYOOCZUSGAULF-JTQLQIEISA-N 1 0 309.326 0.261 20 5 DCBDRO CNC(=O)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000572538914 291574505 /nfs/dbraw/zinc/57/45/05/291574505.db2.gz NEOGZOLSJHSSAC-UHFFFAOYSA-N 1 0 307.354 0.638 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000053254404 183895057 /nfs/dbraw/zinc/89/50/57/183895057.db2.gz HIRXMSSANKLROB-VIFPVBQESA-N 1 0 315.351 0.634 20 5 DCBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000066139888 184392213 /nfs/dbraw/zinc/39/22/13/184392213.db2.gz KCYWZUULFSDJLW-NSHDSACASA-N 1 0 310.354 0.603 20 5 DCBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCCO1 ZINC000339814508 253150045 /nfs/dbraw/zinc/15/00/45/253150045.db2.gz RXEGOVAAUZZFOV-KGLIPLIRSA-N 1 0 312.370 0.899 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C(N)=O)CC1 ZINC000347802982 254192197 /nfs/dbraw/zinc/19/21/97/254192197.db2.gz OBILUQJNHFUEOZ-UHFFFAOYSA-N 1 0 322.321 0.540 20 5 DCBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000348188809 254225970 /nfs/dbraw/zinc/22/59/70/254225970.db2.gz VZSKCAKINHHDHF-NWDGAFQWSA-N 1 0 308.338 0.261 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000272975465 130079077 /nfs/dbraw/zinc/07/90/77/130079077.db2.gz CWLAKHOBUYLCSP-UONOGXRCSA-N 1 0 324.312 0.615 20 5 DCBDRO CCc1nn(C)c(N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000092828423 395733715 /nfs/dbraw/zinc/73/37/15/395733715.db2.gz IBACOTVBVSUUJW-UHFFFAOYSA-N 1 0 324.385 0.101 20 5 DCBDRO CN1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000042752113 395748822 /nfs/dbraw/zinc/74/88/22/395748822.db2.gz SJRWGDGXWPHSQX-UHFFFAOYSA-N 1 0 310.354 0.945 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108328536 395789223 /nfs/dbraw/zinc/78/92/23/395789223.db2.gz YPZHCHQXPBLYQT-LBPRGKRZSA-N 1 0 309.370 0.948 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195260432 395822919 /nfs/dbraw/zinc/82/29/19/395822919.db2.gz MLWXIOVLULHOJB-AOOOYVTPSA-N 1 0 306.278 0.794 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000050241769 395838061 /nfs/dbraw/zinc/83/80/61/395838061.db2.gz RCIQVNDMVDWLKR-MRVPVSSYSA-N 1 0 301.324 0.325 20 5 DCBDRO C[NH+]1CCC(C)(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000272536802 395897836 /nfs/dbraw/zinc/89/78/36/395897836.db2.gz BYWSUKPHFXMVRE-UHFFFAOYSA-N 1 0 324.385 0.822 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000052895368 395873154 /nfs/dbraw/zinc/87/31/54/395873154.db2.gz UHCSVBDSMAQARQ-UHFFFAOYSA-N 1 0 321.381 0.777 20 5 DCBDRO O=C1NCCCN1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000135404299 395939521 /nfs/dbraw/zinc/93/95/21/395939521.db2.gz RCBWDVCXZMMCQL-UHFFFAOYSA-N 1 0 322.369 0.671 20 5 DCBDRO Cc1nccn1CCC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000136307473 395945989 /nfs/dbraw/zinc/94/59/89/395945989.db2.gz VSYGPHVHZWVGEK-AWEZNQCLSA-N 1 0 322.369 0.679 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000261849078 396072008 /nfs/dbraw/zinc/07/20/08/396072008.db2.gz XAXOFLWGIVIDRJ-QMMMGPOBSA-N 1 0 315.351 0.336 20 5 DCBDRO C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000155183118 396047844 /nfs/dbraw/zinc/04/78/44/396047844.db2.gz LJZIOTBJNCJAEO-SECBINFHSA-N 1 0 316.317 0.870 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261599567 396048149 /nfs/dbraw/zinc/04/81/49/396048149.db2.gz BFKDXMUAJVJGIX-GXFFZTMASA-N 1 0 311.363 0.967 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261679586 396055694 /nfs/dbraw/zinc/05/56/94/396055694.db2.gz MIXDVQHBTFCMRJ-GWCFXTLKSA-N 1 0 311.363 0.967 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261769279 396063716 /nfs/dbraw/zinc/06/37/16/396063716.db2.gz KHGVAYIWWJIOPE-UHFFFAOYSA-N 1 0 320.349 0.359 20 5 DCBDRO COC(=O)COc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000262047144 396093712 /nfs/dbraw/zinc/09/37/12/396093712.db2.gz PWNGMNHEBVCCFU-PWSUYJOCSA-N 1 0 323.349 0.926 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000278083358 396105003 /nfs/dbraw/zinc/10/50/03/396105003.db2.gz HMTUGVOFYDUNCQ-GZMMTYOYSA-N 1 0 306.322 0.908 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261899002 396077616 /nfs/dbraw/zinc/07/76/16/396077616.db2.gz WCCQUWJZXBCLJV-UHFFFAOYSA-N 1 0 307.354 0.702 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1N ZINC000178193563 396190894 /nfs/dbraw/zinc/19/08/94/396190894.db2.gz LHPKCDKYVPVOIY-UHFFFAOYSA-N 1 0 310.354 0.827 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NC[C@@H]1CN2CCN1CC2 ZINC000178635803 396202157 /nfs/dbraw/zinc/20/21/57/396202157.db2.gz OLJPYMYBLSLQIK-CQSZACIVSA-N 1 0 304.350 0.253 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000264451583 396281505 /nfs/dbraw/zinc/28/15/05/396281505.db2.gz CWUDMGDMOPMNPM-LLVKDONJSA-N 1 0 308.338 0.628 20 5 DCBDRO CC[C@@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182198749 396247647 /nfs/dbraw/zinc/24/76/47/396247647.db2.gz XAVZUNDVDONNGK-QMTHXVAHSA-N 1 0 311.338 0.578 20 5 DCBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cnn1C ZINC000183306734 396266600 /nfs/dbraw/zinc/26/66/00/396266600.db2.gz NPHFMPNLVNOMOT-BXKDBHETSA-N 1 0 308.342 0.545 20 5 DCBDRO C[N@@H+]1CC[C@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000264677699 396302441 /nfs/dbraw/zinc/30/24/41/396302441.db2.gz NIRWAVALSCGMSS-GFCCVEGCSA-N 1 0 321.333 0.854 20 5 DCBDRO C[C@@H](CNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000187106808 396363777 /nfs/dbraw/zinc/36/37/77/396363777.db2.gz SPQUQBXOBGUEIQ-JTQLQIEISA-N 1 0 323.353 0.061 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCC[NH2+]1 ZINC000269155012 396390193 /nfs/dbraw/zinc/39/01/93/396390193.db2.gz UJEAQTDGHAXTDE-GFCCVEGCSA-N 1 0 320.349 0.583 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC(N)=O ZINC000286386851 396392219 /nfs/dbraw/zinc/39/22/19/396392219.db2.gz IRRFTVYPDHQJSB-UHFFFAOYSA-N 1 0 324.337 0.739 20 5 DCBDRO C[C@@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000269197466 396394103 /nfs/dbraw/zinc/39/41/03/396394103.db2.gz JHWXXBYQKDWDIY-LLVKDONJSA-N 1 0 320.349 0.535 20 5 DCBDRO CC(C)[C@@H]([NH3+])CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269308352 396406301 /nfs/dbraw/zinc/40/63/01/396406301.db2.gz ZQQFSKPYWBMBIC-ZDUSSCGKSA-N 1 0 322.365 0.814 20 5 DCBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000269583338 396426584 /nfs/dbraw/zinc/42/65/84/396426584.db2.gz ABXHWZIVKJHQRD-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000507335029 396497127 /nfs/dbraw/zinc/49/71/27/396497127.db2.gz STJHQULALLOART-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291654535 396504591 /nfs/dbraw/zinc/50/45/91/396504591.db2.gz FLYUSNXZQFETIW-GFCCVEGCSA-N 1 0 303.322 0.900 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000193231370 396446924 /nfs/dbraw/zinc/44/69/24/396446924.db2.gz ZQGMMMIKOJMKIH-SSDOTTSWSA-N 1 0 319.314 0.464 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+]C/C=C/CO)cc1[N+](=O)[O-] ZINC000594976268 396543043 /nfs/dbraw/zinc/54/30/43/396543043.db2.gz XYQCMZDIDWPWNG-NSCUHMNNSA-N 1 0 310.306 0.785 20 5 DCBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000595119082 396551909 /nfs/dbraw/zinc/55/19/09/396551909.db2.gz LNGDZGMNLXQMKD-MRVPVSSYSA-N 1 0 303.340 0.490 20 5 DCBDRO C[NH2+]C[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000595119136 396552066 /nfs/dbraw/zinc/55/20/66/396552066.db2.gz NKPRIVGURWQFQQ-JTQLQIEISA-N 1 0 301.368 0.665 20 5 DCBDRO C[C@H](CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000595127145 396553929 /nfs/dbraw/zinc/55/39/29/396553929.db2.gz ZZTPTMNGZNXBLU-SNVBAGLBSA-N 1 0 308.338 0.990 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000581547613 396563742 /nfs/dbraw/zinc/56/37/42/396563742.db2.gz MBOKXIRCTQPMNI-SKDRFNHKSA-N 1 0 309.326 0.286 20 5 DCBDRO O=C(CC[NH+]1CCC(O)(CO)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595732307 396653765 /nfs/dbraw/zinc/65/37/65/396653765.db2.gz LVYQLZODPUSZAY-UHFFFAOYSA-N 1 0 323.349 0.743 20 5 DCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000582360601 396605899 /nfs/dbraw/zinc/60/58/99/396605899.db2.gz VRSVVHZSPCJERJ-QWRGUYRKSA-N 1 0 322.365 0.496 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000561239372 396636069 /nfs/dbraw/zinc/63/60/69/396636069.db2.gz IHZBFRFXIHKQQL-CABZTGNLSA-N 1 0 306.322 0.017 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000295299271 396690766 /nfs/dbraw/zinc/69/07/66/396690766.db2.gz UXTRIUQOQAXRKW-NSHDSACASA-N 1 0 308.338 0.568 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000588866573 396696859 /nfs/dbraw/zinc/69/68/59/396696859.db2.gz MBHSJUYVAGLNGM-LLVKDONJSA-N 1 0 310.354 0.436 20 5 DCBDRO O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](CO)C[NH+]1CCCC1 ZINC000588870390 396697097 /nfs/dbraw/zinc/69/70/97/396697097.db2.gz ZBNWYAQXNJJRTN-LBPRGKRZSA-N 1 0 323.349 0.547 20 5 DCBDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067634 396714078 /nfs/dbraw/zinc/71/40/78/396714078.db2.gz OUEXOJMHUMVCMT-SRVKXCTJSA-N 1 0 324.333 0.876 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000312618866 396766374 /nfs/dbraw/zinc/76/63/74/396766374.db2.gz ARNMAAKBHCETMK-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO C[C@@H]1[C@H](O)CCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590762399 396835802 /nfs/dbraw/zinc/83/58/02/396835802.db2.gz XTMAAWURXQDOBN-ZWNOBZJWSA-N 1 0 314.363 0.824 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]CCn2cccn2)cc1 ZINC000564605563 396847316 /nfs/dbraw/zinc/84/73/16/396847316.db2.gz KMTXVECVYSFDCC-UHFFFAOYSA-N 1 0 324.362 0.855 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000600532144 396885710 /nfs/dbraw/zinc/88/57/10/396885710.db2.gz GVPHCCKQQXTSNP-SNVBAGLBSA-N 1 0 318.333 0.873 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000591361338 396910127 /nfs/dbraw/zinc/91/01/27/396910127.db2.gz VSMDQYSXCQBBIL-NSHDSACASA-N 1 0 307.354 0.774 20 5 DCBDRO COc1ccc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000600806791 396946748 /nfs/dbraw/zinc/94/67/48/396946748.db2.gz GFNFVRFEHILPPS-NSHDSACASA-N 1 0 309.322 0.400 20 5 DCBDRO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000611921586 396947469 /nfs/dbraw/zinc/94/74/69/396947469.db2.gz CFAUEHVDLLXIAS-HTQZYQBOSA-N 1 0 317.392 0.715 20 5 DCBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)Cn1cccn1 ZINC000591728094 396992325 /nfs/dbraw/zinc/99/23/25/396992325.db2.gz SHTCZZLQQBHTRM-DGCLKSJQSA-N 1 0 308.342 0.275 20 5 DCBDRO CCN1CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000591765968 397000519 /nfs/dbraw/zinc/00/05/19/397000519.db2.gz XHQMZFYCASAGQB-NWDGAFQWSA-N 1 0 323.349 0.545 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000591684193 396977179 /nfs/dbraw/zinc/97/71/79/396977179.db2.gz KGYSBCXNHHMNGJ-JTQLQIEISA-N 1 0 308.338 0.237 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000591685916 396977531 /nfs/dbraw/zinc/97/75/31/396977531.db2.gz YHBBXYVLYRJSDU-LLVKDONJSA-N 1 0 306.322 0.015 20 5 DCBDRO COc1ccc(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1[N+](=O)[O-] ZINC000591686203 396977680 /nfs/dbraw/zinc/97/76/80/396977680.db2.gz SEPQIURAJSMQPB-QWRGUYRKSA-N 1 0 311.313 0.962 20 5 DCBDRO CC(=O)NCC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000572758601 397092168 /nfs/dbraw/zinc/09/21/68/397092168.db2.gz SIPBFGUHQMITGU-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000597653483 397045294 /nfs/dbraw/zinc/04/52/94/397045294.db2.gz JPBSDNCBOYGKCU-UWVGGRQHSA-N 1 0 313.329 0.876 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327290 397059213 /nfs/dbraw/zinc/05/92/13/397059213.db2.gz NYPPLZUFTAXQSZ-JQWIXIFHSA-N 1 0 320.349 0.978 20 5 DCBDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000592205230 397128053 /nfs/dbraw/zinc/12/80/53/397128053.db2.gz VTOJCYWOBUSAPY-WCQYABFASA-N 1 0 324.333 0.829 20 5 DCBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000573237086 397147839 /nfs/dbraw/zinc/14/78/39/397147839.db2.gz XRWCNQWWIPIYEL-SNVBAGLBSA-N 1 0 308.338 0.990 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000592309455 397149197 /nfs/dbraw/zinc/14/91/97/397149197.db2.gz QXMFUTOEIJAERH-RNCFNFMXSA-N 1 0 309.322 0.792 20 5 DCBDRO Cn1c(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000592341821 397156456 /nfs/dbraw/zinc/15/64/56/397156456.db2.gz LVEZAFVGDOBEMP-LLVKDONJSA-N 1 0 322.365 0.761 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NC(C)(C)C[NH3+] ZINC000592368081 397161691 /nfs/dbraw/zinc/16/16/91/397161691.db2.gz IFENSNDBXLKMSO-UHFFFAOYSA-N 1 0 303.340 0.619 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000592428497 397174102 /nfs/dbraw/zinc/17/41/02/397174102.db2.gz SZQFWGWPSCILGN-RKDXNWHRSA-N 1 0 324.337 0.784 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475146 397186932 /nfs/dbraw/zinc/18/69/32/397186932.db2.gz VTQIHRKJAAGMOB-COPLHBTASA-N 1 0 322.365 0.970 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000573669059 397192703 /nfs/dbraw/zinc/19/27/03/397192703.db2.gz VFAFNMNDDCZEMS-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000619879714 397203262 /nfs/dbraw/zinc/20/32/62/397203262.db2.gz VOLZJEUTBMLYIT-LLVKDONJSA-N 1 0 323.353 0.645 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000378167556 397203672 /nfs/dbraw/zinc/20/36/72/397203672.db2.gz CBEOGNHYDIMPFQ-VXGBXAGGSA-N 1 0 322.369 0.717 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000592547700 397207344 /nfs/dbraw/zinc/20/73/44/397207344.db2.gz KDQOTIYREJIBAS-CYBMUJFWSA-N 1 0 321.333 0.501 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000592548402 397207401 /nfs/dbraw/zinc/20/74/01/397207401.db2.gz OXLMVMSKHMTQOL-GFCCVEGCSA-N 1 0 307.306 0.572 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592555572 397213248 /nfs/dbraw/zinc/21/32/48/397213248.db2.gz ZVKXCYHYOODPME-NEPJUHHUSA-N 1 0 322.369 0.425 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598667595 397272561 /nfs/dbraw/zinc/27/25/61/397272561.db2.gz GXHVGOIWIVFKJF-VIFPVBQESA-N 1 0 309.326 0.440 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2CCCSC2)c1 ZINC000384152754 397280459 /nfs/dbraw/zinc/28/04/59/397280459.db2.gz PWJZOXVAJOYDLY-CMPLNLGQSA-N 1 0 300.384 0.885 20 5 DCBDRO C[C@H]1CC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[NH2+]1 ZINC000599107100 397338901 /nfs/dbraw/zinc/33/89/01/397338901.db2.gz ZAVOXIUKIPYHGT-IUCAKERBSA-N 1 0 300.340 0.409 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000578442569 397436484 /nfs/dbraw/zinc/43/64/84/397436484.db2.gz YAHOXDQVYSORHM-ZJUUUORDSA-N 1 0 314.367 0.880 20 5 DCBDRO NC(=O)c1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000578127201 397392907 /nfs/dbraw/zinc/39/29/07/397392907.db2.gz HPKZDOBBDCRRQP-ZDUSSCGKSA-N 1 0 319.321 0.041 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000578132188 397394925 /nfs/dbraw/zinc/39/49/25/397394925.db2.gz QVFBYJCCWAZCHI-UWVGGRQHSA-N 1 0 312.351 0.362 20 5 DCBDRO C[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593917635 397479453 /nfs/dbraw/zinc/47/94/53/397479453.db2.gz XBYMVQLGXKQHIF-RYUDHWBXSA-N 1 0 322.365 0.732 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])n[nH]2)C1 ZINC000593919546 397480937 /nfs/dbraw/zinc/48/09/37/397480937.db2.gz UJCOTDDXDBIWBD-JLLWLGSASA-N 1 0 323.353 0.819 20 5 DCBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(=O)N(C)C ZINC000578982035 397508475 /nfs/dbraw/zinc/50/84/75/397508475.db2.gz XRWCNQWWIPIYEL-JTQLQIEISA-N 1 0 308.338 0.990 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000371254353 397563556 /nfs/dbraw/zinc/56/35/56/397563556.db2.gz VDEQVHTWTGJPDG-QMIVOQANSA-N 1 0 301.346 0.898 20 5 DCBDRO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCc1cccc([N+](=O)[O-])c1 ZINC000579467464 397571706 /nfs/dbraw/zinc/57/17/06/397571706.db2.gz GPOKJURSHBWSBD-CYBMUJFWSA-N 1 0 320.349 0.469 20 5 DCBDRO C[NH+]1CCN(Cc2cn(Cc3ccccc3[N+](=O)[O-])nn2)CC1 ZINC000603186874 397581477 /nfs/dbraw/zinc/58/14/77/397581477.db2.gz JNANRALIOJZGNM-UHFFFAOYSA-N 1 0 316.365 0.982 20 5 DCBDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000599920439 397540943 /nfs/dbraw/zinc/54/09/43/397540943.db2.gz JVAABVKBGBUAJU-LBPRGKRZSA-N 1 0 310.358 0.431 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000609309374 397769811 /nfs/dbraw/zinc/76/98/11/397769811.db2.gz CQRVDFLELUTXCA-JTQLQIEISA-N 1 0 308.342 0.319 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160809386 158355202 /nfs/dbraw/zinc/35/52/02/158355202.db2.gz WLRGEELJDFRJAW-BPLDGKMQSA-N 1 0 324.381 0.779 20 5 DCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000165651025 158364813 /nfs/dbraw/zinc/36/48/13/158364813.db2.gz HZCIQGQJQUTZHG-LBPRGKRZSA-N 1 0 315.351 0.084 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261877518 158749095 /nfs/dbraw/zinc/74/90/95/158749095.db2.gz QICDVUIPNPNSAT-SECBINFHSA-N 1 0 322.321 0.556 20 5 DCBDRO CC[NH2+][C@@H](C)CNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000359270022 159257907 /nfs/dbraw/zinc/25/79/07/159257907.db2.gz DVXNZIPJZYDPPM-QMMMGPOBSA-N 1 0 305.360 0.088 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000368404211 159391849 /nfs/dbraw/zinc/39/18/49/159391849.db2.gz KIHDZTBJACZHEP-CHWSQXEVSA-N 1 0 309.370 0.322 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000408148295 160047552 /nfs/dbraw/zinc/04/75/52/160047552.db2.gz AVENSPVGRDIPPT-CYBMUJFWSA-N 1 0 319.365 0.733 20 5 DCBDRO CC[N@@H+]1CC[C@@H](CNC(=O)CCn2cc([N+](=O)[O-])nc2C)C1 ZINC000133373649 287010470 /nfs/dbraw/zinc/01/04/70/287010470.db2.gz ZJYIFRDAWSVVEG-LBPRGKRZSA-N 1 0 309.370 0.948 20 5 DCBDRO NS(=O)(=O)c1cc(NCC[C@H]2CCC[NH2+]2)cc([N+](=O)[O-])c1 ZINC000420237947 287284025 /nfs/dbraw/zinc/28/40/25/287284025.db2.gz MQXNQYBFKSUZIJ-SECBINFHSA-N 1 0 314.367 0.796 20 5 DCBDRO COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000420412096 287296385 /nfs/dbraw/zinc/29/63/85/287296385.db2.gz BQMPCAMZUPBFIJ-ZETCQYMHSA-N 1 0 317.323 0.007 20 5 DCBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1cc([N+](=O)[O-])c[nH]1 ZINC000342950151 415373149 /nfs/dbraw/zinc/37/31/49/415373149.db2.gz IODJTMOEYYXJCE-NSHDSACASA-N 1 0 310.354 0.890 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH2+]CC1 ZINC000353091380 415435256 /nfs/dbraw/zinc/43/52/56/415435256.db2.gz VUSHDWJWWKUIFD-JTQLQIEISA-N 1 0 310.358 0.259 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343259394 415518906 /nfs/dbraw/zinc/51/89/06/415518906.db2.gz YOVUAJYEPMYKAR-UHFFFAOYSA-N 1 0 307.354 0.868 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(CCO)CCCCC2)c1 ZINC000353652765 415615020 /nfs/dbraw/zinc/61/50/20/415615020.db2.gz GLTCQPUADZNZQQ-CYBMUJFWSA-N 1 0 312.370 0.827 20 5 DCBDRO COc1ccc(OCC[NH2+][C@H]2COC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000290127565 415766219 /nfs/dbraw/zinc/76/62/19/415766219.db2.gz LIIORKLJHRHFEY-FZMZJTMJSA-N 1 0 312.322 0.986 20 5 DCBDRO Cn1c(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000337711855 416000656 /nfs/dbraw/zinc/00/06/56/416000656.db2.gz FHNRZOLVEPGKON-UHFFFAOYSA-N 1 0 323.397 0.689 20 5 DCBDRO CC[C@H]1CN(c2ncc([N+](=O)[O-])c(C)n2)CC[N@@H+]1C[C@H](C)O ZINC000297018428 415946892 /nfs/dbraw/zinc/94/68/92/415946892.db2.gz GVFLNEGEJKOYID-JQWIXIFHSA-N 1 0 309.370 0.975 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000153168023 415976140 /nfs/dbraw/zinc/97/61/40/415976140.db2.gz OIOBHVDNZSTFLI-OAHLLOKOSA-N 1 0 324.381 0.826 20 5 DCBDRO COc1ccc(C(=O)NCC(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000298287313 416000167 /nfs/dbraw/zinc/00/01/67/416000167.db2.gz BBBYNDLSNLRYSA-UHFFFAOYSA-N 1 0 324.337 0.011 20 5 DCBDRO CCCC[NH+]1CCC(NC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000345062393 416038470 /nfs/dbraw/zinc/03/84/70/416038470.db2.gz SCHIXVSTSDYKSR-UHFFFAOYSA-N 1 0 310.358 0.567 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000358506393 416245410 /nfs/dbraw/zinc/24/54/10/416245410.db2.gz JWDBFJLYSALCAA-UHFFFAOYSA-N 1 0 307.354 0.702 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186516286 416257154 /nfs/dbraw/zinc/25/71/54/416257154.db2.gz OPSUUFBWIYYJNA-STQMWFEESA-N 1 0 323.349 0.659 20 5 DCBDRO COCC1(C)CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000358737430 416274986 /nfs/dbraw/zinc/27/49/86/416274986.db2.gz ACDMFGJCGIDLCX-CYBMUJFWSA-N 1 0 312.370 0.901 20 5 DCBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331426958 416311379 /nfs/dbraw/zinc/31/13/79/416311379.db2.gz SOKVFOZUKRZNBX-GHMZBOCLSA-N 1 0 308.342 0.272 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415520350 416346350 /nfs/dbraw/zinc/34/63/50/416346350.db2.gz RJMKQMIVVGKJFK-UHFFFAOYSA-N 1 0 308.338 0.958 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415539383 416346663 /nfs/dbraw/zinc/34/66/63/416346663.db2.gz MAOSZJMFYKHBNU-NSHDSACASA-N 1 0 306.322 0.695 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000415551511 416347359 /nfs/dbraw/zinc/34/73/59/416347359.db2.gz DQWKUSVLCBHWTI-BDAKNGLRSA-N 1 0 324.312 0.881 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000194858819 416324830 /nfs/dbraw/zinc/32/48/30/416324830.db2.gz IPPKDYIRROGONH-SSDOTTSWSA-N 1 0 301.324 0.075 20 5 DCBDRO O=C([C@H]1CC[NH2+]C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238007269 416329687 /nfs/dbraw/zinc/32/96/87/416329687.db2.gz ANDLGZHTBHZAKX-WDEREUQCSA-N 1 0 305.338 0.612 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(CCCO)CC2)c1 ZINC000360099033 416370198 /nfs/dbraw/zinc/37/01/98/416370198.db2.gz QQPOUVZYEJBLMT-CQSZACIVSA-N 1 0 312.370 0.637 20 5 DCBDRO Cn1c(C(=O)NCCN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000360895735 416415938 /nfs/dbraw/zinc/41/59/38/416415938.db2.gz ZWVVFWNTLZEJQX-UHFFFAOYSA-N 1 0 323.397 0.689 20 5 DCBDRO COc1cc(CCNC(=O)NCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000416916038 416378405 /nfs/dbraw/zinc/37/84/05/416378405.db2.gz IUWRRDAVFLQDCV-UHFFFAOYSA-N 1 0 312.326 0.412 20 5 DCBDRO Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000583435430 416463327 /nfs/dbraw/zinc/46/33/27/416463327.db2.gz CFSHCKPZZYVHGG-WCQYABFASA-N 1 0 320.353 0.553 20 5 DCBDRO CNC(=O)C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000434684903 416491143 /nfs/dbraw/zinc/49/11/43/416491143.db2.gz LNTRIGNGJKZYRE-UHFFFAOYSA-N 1 0 322.321 0.571 20 5 DCBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccnc(N)c3[N+](=O)[O-])C2)C1 ZINC000583761854 416482763 /nfs/dbraw/zinc/48/27/63/416482763.db2.gz DIZQUYQOQZAMRI-OAHLLOKOSA-N 1 0 319.365 1.130 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000583929951 416485460 /nfs/dbraw/zinc/48/54/60/416485460.db2.gz KWRUCADGENZLHS-PWSUYJOCSA-N 1 0 306.326 0.022 20 5 DCBDRO CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000422941434 416449266 /nfs/dbraw/zinc/44/92/66/416449266.db2.gz IEZUMFHHMASSCH-FZMZJTMJSA-N 1 0 323.349 0.987 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423682879 416540496 /nfs/dbraw/zinc/54/04/96/416540496.db2.gz PNONAUWRLXPTFG-LLVKDONJSA-N 1 0 308.338 0.487 20 5 DCBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)O1 ZINC000423729260 416551352 /nfs/dbraw/zinc/55/13/52/416551352.db2.gz UYTSJLQEIASJHR-KCJUWKMLSA-N 1 0 305.294 0.916 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000594291040 416558083 /nfs/dbraw/zinc/55/80/83/416558083.db2.gz IKJQQTARMPYZPJ-JTQLQIEISA-N 1 0 321.381 1.492 20 5 DCBDRO Nc1nc(N2CCC(CO)([NH2+]CC3CC3)CC2)ncc1[N+](=O)[O-] ZINC000596263660 416581330 /nfs/dbraw/zinc/58/13/30/416581330.db2.gz IJYYABLJGNLTNU-UHFFFAOYSA-N 1 0 322.369 0.298 20 5 DCBDRO CN([C@@H](C[NH3+])C1CC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000514725921 416673271 /nfs/dbraw/zinc/67/32/71/416673271.db2.gz GRCQAUHDTLKHGK-VIFPVBQESA-N 1 0 300.340 0.348 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000441605677 416675844 /nfs/dbraw/zinc/67/58/44/416675844.db2.gz ZXDMCEUXLQXJOS-UWVGGRQHSA-N 1 0 308.338 0.424 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429053337 287333323 /nfs/dbraw/zinc/33/33/23/287333323.db2.gz MRLQIYTWNAFKPV-SNVBAGLBSA-N 1 0 323.353 0.248 20 5 DCBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1(C)C ZINC000444801112 416867287 /nfs/dbraw/zinc/86/72/87/416867287.db2.gz VXSXVAIDGZGMCZ-BXUZGUMPSA-N 1 0 312.370 0.984 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000428434731 416896812 /nfs/dbraw/zinc/89/68/12/416896812.db2.gz AZFIFAUYTWHZFG-GHMZBOCLSA-N 1 0 324.385 0.648 20 5 DCBDRO [NH3+]CCCNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000428461751 416897129 /nfs/dbraw/zinc/89/71/29/416897129.db2.gz JEFTUGHDOMCRAA-UHFFFAOYSA-N 1 0 314.729 0.443 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000564995033 416906021 /nfs/dbraw/zinc/90/60/21/416906021.db2.gz HFCPGVPSEPUHDF-VHSXEESVSA-N 1 0 324.337 0.646 20 5 DCBDRO C[C@@H]([NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)O ZINC000519636144 416923215 /nfs/dbraw/zinc/92/32/15/416923215.db2.gz CBHUMYNCVFXBLR-ZJUUUORDSA-N 1 0 317.367 0.232 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000447919458 417042760 /nfs/dbraw/zinc/04/27/60/417042760.db2.gz DYIXVJBSSJNEDX-UONOGXRCSA-N 1 0 323.349 0.971 20 5 DCBDRO C[NH2+][C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430641874 417054261 /nfs/dbraw/zinc/05/42/61/417054261.db2.gz JLGPQTZWUHYXFD-JTQLQIEISA-N 1 0 308.338 0.836 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H](C[NH3+])C1 ZINC000430958732 417091053 /nfs/dbraw/zinc/09/10/53/417091053.db2.gz ZFZLTNOTNOKDHC-JTQLQIEISA-N 1 0 308.338 0.823 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000449595762 417154007 /nfs/dbraw/zinc/15/40/07/417154007.db2.gz VJHBQKBYXPWESM-BDAKNGLRSA-N 1 0 322.321 0.172 20 5 DCBDRO CN(CC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1[N+](=O)[O-] ZINC000449706593 417168801 /nfs/dbraw/zinc/16/88/01/417168801.db2.gz BHVAOTLUJTYLLR-LBPRGKRZSA-N 1 0 322.365 0.526 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNc2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000450260106 417212378 /nfs/dbraw/zinc/21/23/78/417212378.db2.gz ZVVSGCYRTNZZQT-LLVKDONJSA-N 1 0 308.386 1.131 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000449703844 417167567 /nfs/dbraw/zinc/16/75/67/417167567.db2.gz GSTCRANSAVCQRQ-ZDUSSCGKSA-N 1 0 309.322 0.468 20 5 DCBDRO CC[NH+]1CCN(CC(C)(C)Nc2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC000450923925 417281935 /nfs/dbraw/zinc/28/19/35/417281935.db2.gz SMGLGHFCAVAITP-UHFFFAOYSA-N 1 0 323.401 0.795 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000569258589 417233658 /nfs/dbraw/zinc/23/36/58/417233658.db2.gz UGFGDDDXRMYIFJ-XGUBFFRZSA-N 1 0 319.361 0.832 20 5 DCBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000570410036 417353204 /nfs/dbraw/zinc/35/32/04/417353204.db2.gz DDHBEYCWBCCGQG-JTQLQIEISA-N 1 0 307.354 1.128 20 5 DCBDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000415374955 417375161 /nfs/dbraw/zinc/37/51/61/417375161.db2.gz KXRMZSHLBNELJJ-SNVBAGLBSA-N 1 0 324.312 0.883 20 5 DCBDRO Cc1cc(C[C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000571198746 417434001 /nfs/dbraw/zinc/43/40/01/417434001.db2.gz XJGQKPHYONPVIQ-ZANVPECISA-N 1 0 308.342 0.405 20 5 DCBDRO C[C@H]1C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000575923001 417562587 /nfs/dbraw/zinc/56/25/87/417562587.db2.gz SDGVQNBNDPZGOZ-IUCAKERBSA-N 1 0 300.340 0.409 20 5 DCBDRO CCN(CCC[NH+](C)C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530531964 417582586 /nfs/dbraw/zinc/58/25/86/417582586.db2.gz KDPPUYHOMIYLPR-UHFFFAOYSA-N 1 0 316.383 0.952 20 5 DCBDRO CN(C)C(=O)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000576220222 417589716 /nfs/dbraw/zinc/58/97/16/417589716.db2.gz HGSMDIIZZVRNGF-LLVKDONJSA-N 1 0 311.338 0.402 20 5 DCBDRO CC(C)[NH+]1CCN([C@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000531582401 417627345 /nfs/dbraw/zinc/62/73/45/417627345.db2.gz VJELRCKEMQAXKA-ZDUSSCGKSA-N 1 0 322.413 0.933 20 5 DCBDRO C[NH+](C)CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000298294690 228469200 /nfs/dbraw/zinc/46/92/00/228469200.db2.gz HQVZFWFTJHHYBE-UHFFFAOYSA-N 1 0 320.349 0.441 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000299227717 229005303 /nfs/dbraw/zinc/00/53/03/229005303.db2.gz CJAWQYLZTVRITI-UHFFFAOYSA-N 1 0 312.326 0.394 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC000357518725 261551360 /nfs/dbraw/zinc/55/13/60/261551360.db2.gz WRNWLULMCRBWQX-SNVBAGLBSA-N 1 0 307.354 0.867 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361105091 261898042 /nfs/dbraw/zinc/89/80/42/261898042.db2.gz GOGVFJYHIIPOCD-STQMWFEESA-N 1 0 321.381 0.994 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000394770869 262162855 /nfs/dbraw/zinc/16/28/55/262162855.db2.gz LTLOQRNKODTDJP-LLVKDONJSA-N 1 0 301.350 0.880 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000417170050 262247047 /nfs/dbraw/zinc/24/70/47/262247047.db2.gz CGTFJNGACHHOOY-LBPRGKRZSA-N 1 0 324.337 0.473 20 5 DCBDRO COc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000417192769 262247483 /nfs/dbraw/zinc/24/74/83/262247483.db2.gz KRYAABLQFAFCAO-LLVKDONJSA-N 1 0 324.337 0.391 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NCCN1CC[NH2+]CC1 ZINC000417765281 262261286 /nfs/dbraw/zinc/26/12/86/262261286.db2.gz NOXIFQIIDKHJPH-UHFFFAOYSA-N 1 0 321.381 0.342 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000417908032 262264901 /nfs/dbraw/zinc/26/49/01/262264901.db2.gz HXMQNNPZKYMRFU-CYZMBNFOSA-N 1 0 322.369 0.560 20 5 DCBDRO O=C(NCCC[C@H]1CCC[NH2+]1)NCCn1cc([N+](=O)[O-])cn1 ZINC000417916971 262264950 /nfs/dbraw/zinc/26/49/50/262264950.db2.gz VTSGLAUNLPGMGZ-LLVKDONJSA-N 1 0 310.358 0.623 20 5 DCBDRO [NH3+]C[C@H](NC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000417917446 262265076 /nfs/dbraw/zinc/26/50/76/262265076.db2.gz WFIGZBCFLWFPNA-LBPRGKRZSA-N 1 0 310.358 0.608 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000417908034 262265099 /nfs/dbraw/zinc/26/50/99/262265099.db2.gz HXMQNNPZKYMRFU-KGYLQXTDSA-N 1 0 322.369 0.560 20 5 DCBDRO Cc1c(CNC(=O)NC[C@@H]2C[NH2+]CCO2)cccc1[N+](=O)[O-] ZINC000418081345 262269086 /nfs/dbraw/zinc/26/90/86/262269086.db2.gz NTDGVQBBJFQVAD-LBPRGKRZSA-N 1 0 308.338 0.691 20 5 DCBDRO C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccc([N+](=O)[O-])cc1 ZINC000418233275 262273129 /nfs/dbraw/zinc/27/31/29/262273129.db2.gz OBHXIDYYRCFHCJ-FZMZJTMJSA-N 1 0 321.381 0.859 20 5 DCBDRO C[NH+](C)C1(CNc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000419012895 262304363 /nfs/dbraw/zinc/30/43/63/262304363.db2.gz XRNQOPPESHNTCQ-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1[N+](=O)[O-] ZINC000419152046 262313754 /nfs/dbraw/zinc/31/37/54/262313754.db2.gz NWIRIQZJIAHWPX-CABZTGNLSA-N 1 0 320.349 0.626 20 5 DCBDRO C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000419152508 262313776 /nfs/dbraw/zinc/31/37/76/262313776.db2.gz OIBHOUDYSDSSPV-WDEREUQCSA-N 1 0 320.349 0.640 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419158405 262314576 /nfs/dbraw/zinc/31/45/76/262314576.db2.gz XOCVZSJXICMCIH-UWVGGRQHSA-N 1 0 306.322 0.332 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@H]1C[NH2+]CCN1C ZINC000420276861 262368293 /nfs/dbraw/zinc/36/82/93/262368293.db2.gz PNJFPSYFUVIIHJ-LLVKDONJSA-N 1 0 307.354 0.270 20 5 DCBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCO[C@H](C[NH3+])C1 ZINC000420393748 262373119 /nfs/dbraw/zinc/37/31/19/262373119.db2.gz QYDAZZDQOHLVMQ-BXUZGUMPSA-N 1 0 322.365 0.971 20 5 DCBDRO CO[C@H]1CCN(C(=O)COc2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000359236093 271109092 /nfs/dbraw/zinc/10/90/92/271109092.db2.gz LWMNFTQKYKGONY-OCCSQVGLSA-N 1 0 323.349 0.938 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000419042007 271269641 /nfs/dbraw/zinc/26/96/41/271269641.db2.gz OPXRCCGQJFHIDH-ZYHUDNBSSA-N 1 0 320.349 0.059 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419033013 271269956 /nfs/dbraw/zinc/26/99/56/271269956.db2.gz CAMYNNFVLGVZBR-GFCCVEGCSA-N 1 0 320.349 0.122 20 5 DCBDRO C[NH+](C)CC[C@](C)(O)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000420043249 271354826 /nfs/dbraw/zinc/35/48/26/271354826.db2.gz OOFFDRVCKHYTFA-ZDUSSCGKSA-N 1 0 312.326 0.128 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000420440188 271369897 /nfs/dbraw/zinc/36/98/97/271369897.db2.gz NHARSGSULUHAJB-NKWVEPMBSA-N 1 0 321.330 0.757 20 5 DCBDRO C[NH+](C)C(C)(C)CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000525948339 272584192 /nfs/dbraw/zinc/58/41/92/272584192.db2.gz MERPOHPLFBBZBD-UHFFFAOYSA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000174732147 274270892 /nfs/dbraw/zinc/27/08/92/274270892.db2.gz DEOFCKCHGTXLPD-WDEREUQCSA-N 1 0 322.365 0.585 20 5 DCBDRO C[C@@H]1C[NH+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000547756693 288076260 /nfs/dbraw/zinc/07/62/60/288076260.db2.gz BUBOSDPLIFGWDP-NXEZZACHSA-N 1 0 311.342 0.547 20 5 DCBDRO CC(=O)NCCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000555564000 288356228 /nfs/dbraw/zinc/35/62/28/288356228.db2.gz WCTXTBOXANGSNK-ZDUSSCGKSA-N 1 0 311.338 0.450 20 5 DCBDRO C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000563121633 288634670 /nfs/dbraw/zinc/63/46/70/288634670.db2.gz XDGLYGNZWIEZLT-VIFPVBQESA-N 1 0 300.340 0.362 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@H]21 ZINC000343277614 290114719 /nfs/dbraw/zinc/11/47/19/290114719.db2.gz FIKAHNRFMIYVTN-OLZOCXBDSA-N 1 0 320.349 0.603 20 5 DCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000086471330 297114604 /nfs/dbraw/zinc/11/46/04/297114604.db2.gz ZBDYVYHRKRUHKL-DTWKUNHWSA-N 1 0 314.367 0.429 20 5 DCBDRO CCn1cc(S(=O)(=O)N(C)C2(C[NH3+])CCC2)c([N+](=O)[O-])n1 ZINC000584053141 331655953 /nfs/dbraw/zinc/65/59/53/331655953.db2.gz YUTJOWQYARVAMT-UHFFFAOYSA-N 1 0 317.371 0.313 20 5 DCBDRO O=C(NC1CC[NH2+]CC1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000582061316 333194455 /nfs/dbraw/zinc/19/44/55/333194455.db2.gz KYIWZRXLYSOOCI-UHFFFAOYSA-N 1 0 307.306 0.848 20 5 DCBDRO C[NH+](C)[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C[C@@H]1O ZINC000582118776 333293296 /nfs/dbraw/zinc/29/32/96/333293296.db2.gz MLSHYMLMYYYYID-KBPBESRZSA-N 1 0 306.366 0.980 20 5 DCBDRO O=C(COC1CC[NH2+]CC1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000571038416 333484623 /nfs/dbraw/zinc/48/46/23/333484623.db2.gz XTDYUYPKOGKMFE-UHFFFAOYSA-N 1 0 323.349 0.858 20 5 DCBDRO COc1cc(C(=O)N2CCC(O)(C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000397064641 337245803 /nfs/dbraw/zinc/24/58/03/337245803.db2.gz HEZIENJGKRKTCD-UHFFFAOYSA-N 1 0 309.322 0.529 20 5 DCBDRO CN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000575867414 341811714 /nfs/dbraw/zinc/81/17/14/341811714.db2.gz QFPKXSIAHWRYFH-UHFFFAOYSA-N 1 0 301.324 0.029 20 5 DCBDRO C[NH2+]CCN(C)C(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000237368573 522005291 /nfs/dbraw/zinc/00/52/91/522005291.db2.gz OGJPUIKFJASTJE-UHFFFAOYSA-N 1 0 318.337 0.775 20 5 DCBDRO COc1cc(C[N@@H+]2CC[C@H](C(N)=O)C2)c([N+](=O)[O-])cc1OC ZINC000157137835 522394141 /nfs/dbraw/zinc/39/41/41/522394141.db2.gz SUGWXTVNGOQMEA-VIFPVBQESA-N 1 0 309.322 0.919 20 5 DCBDRO CC[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000247190322 523444812 /nfs/dbraw/zinc/44/48/12/523444812.db2.gz BQLXNCPMAFANHN-VXGBXAGGSA-N 1 0 300.384 0.980 20 5 DCBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2[nH]ncc2[N+](=O)[O-])C[C@H](C)O1 ZINC000159537491 524947540 /nfs/dbraw/zinc/94/75/40/524947540.db2.gz GIFXBBMNMBMXKG-AOOOYVTPSA-N 1 0 311.342 0.547 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[NH2+]C[C@H]1C ZINC000124683823 525232342 /nfs/dbraw/zinc/23/23/42/525232342.db2.gz YOSUGXYFFHVISY-MNOVXSKESA-N 1 0 320.349 0.533 20 5 DCBDRO Cc1c(C(=O)NCCC[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000160117861 525609445 /nfs/dbraw/zinc/60/94/45/525609445.db2.gz XZYQRGUCOLQCQQ-UHFFFAOYSA-N 1 0 304.310 0.563 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000330796390 527813957 /nfs/dbraw/zinc/81/39/57/527813957.db2.gz FVBNJTUVWNSYAZ-JTQLQIEISA-N 1 0 307.354 0.986 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000161565441 527829649 /nfs/dbraw/zinc/82/96/49/527829649.db2.gz ILZURHOZFZCKBU-GFCCVEGCSA-N 1 0 324.385 0.775 20 5 DCBDRO COC[C@](C)([NH3+])CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736967983 598895662 /nfs/dbraw/zinc/89/56/62/598895662.db2.gz OTFSEVXEYXICOQ-GFCCVEGCSA-N 1 0 307.314 0.551 20 5 DCBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736529881 599314754 /nfs/dbraw/zinc/31/47/54/599314754.db2.gz AODSPGBIIXXULC-UHFFFAOYSA-N 1 0 306.330 0.924 20 5 DCBDRO CC(C)(C(=O)N1CC[C@]2(CCC[NH2+]2)C1)n1cc([N+](=O)[O-])cn1 ZINC000424034006 660731605 /nfs/dbraw/zinc/73/16/05/660731605.db2.gz ZDTMUGOEYIVJQY-CQSZACIVSA-N 1 0 307.354 0.881 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ccoc2)C1 ZINC001021832891 658565312 /nfs/dbraw/zinc/56/53/12/658565312.db2.gz GFIOCIAEEGNJSG-PHIMTYICSA-N 1 0 319.321 0.972 20 5 DCBDRO Cc1nn(C)cc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022063569 658818793 /nfs/dbraw/zinc/81/87/93/658818793.db2.gz DOIBRJNSDHLYTJ-YVECIDJPSA-N 1 0 307.354 0.131 20 5 DCBDRO Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001022064152 658821674 /nfs/dbraw/zinc/82/16/74/658821674.db2.gz YMJXSDNSPRMISG-WRWGMCAJSA-N 1 0 308.338 0.693 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC000892795161 659460323 /nfs/dbraw/zinc/46/03/23/659460323.db2.gz ZHFPTVYDWHYROY-AWEZNQCLSA-N 1 0 307.354 0.851 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140061 659671910 /nfs/dbraw/zinc/67/19/10/659671910.db2.gz WKNKMZMQOJKTND-DMTCVQMQSA-N 1 0 319.365 0.231 20 5 DCBDRO Cc1nn(C)c(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000726163816 661652333 /nfs/dbraw/zinc/65/23/33/661652333.db2.gz OEKRXXLYOAQOKD-GHMZBOCLSA-N 1 0 323.353 0.230 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000841148486 661659457 /nfs/dbraw/zinc/65/94/57/661659457.db2.gz RZDLGBWRPIWQRM-UHFFFAOYSA-N 1 0 324.312 0.803 20 5 DCBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc([N+](=O)[O-])c[nH]1 ZINC000261810815 661716009 /nfs/dbraw/zinc/71/60/09/661716009.db2.gz GNCKMRIMADRHKV-UHFFFAOYSA-N 1 0 316.321 0.980 20 5 DCBDRO C[NH2+][C@H](C)CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000261856046 661754587 /nfs/dbraw/zinc/75/45/87/661754587.db2.gz XFBRIJDYBJNCAX-MRVPVSSYSA-N 1 0 303.340 0.490 20 5 DCBDRO COc1cc(S(=O)(=O)N2CC[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000178904480 661839065 /nfs/dbraw/zinc/83/90/65/661839065.db2.gz RYLLMKZIOJREBC-VIFPVBQESA-N 1 0 315.351 0.573 20 5 DCBDRO CN1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC[N@H+](C)CC1 ZINC000897101028 662394190 /nfs/dbraw/zinc/39/41/90/662394190.db2.gz XTOWHKFZRSYRID-UHFFFAOYSA-N 1 0 321.381 0.377 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898836033 663109666 /nfs/dbraw/zinc/10/96/66/663109666.db2.gz QFSSYXDJAZTFSV-MNOVXSKESA-N 1 0 307.354 0.931 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000903877558 663491631 /nfs/dbraw/zinc/49/16/31/663491631.db2.gz VJKWBFWJPUOCGK-GFCCVEGCSA-N 1 0 322.365 0.844 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905904684 663588025 /nfs/dbraw/zinc/58/80/25/663588025.db2.gz MQEDJEIKMATAJS-HIFRSBDPSA-N 1 0 310.350 0.929 20 5 DCBDRO O=[N+]([O-])c1ccccc1-c1nnn(CCN2CCOCC2)n1 ZINC000912455282 664177648 /nfs/dbraw/zinc/17/76/48/664177648.db2.gz SNLNBZVRCYZPKI-UHFFFAOYSA-N 1 0 304.310 0.581 20 5 DCBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CC[NH2+]CC1 ZINC000170319232 664577057 /nfs/dbraw/zinc/57/70/57/664577057.db2.gz DJFDBPWPUPGGSD-UHFFFAOYSA-N 1 0 312.713 0.619 20 5 DCBDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000733167943 665078429 /nfs/dbraw/zinc/07/84/29/665078429.db2.gz YWLCIJFUTOFIRC-GFCCVEGCSA-N 1 0 310.354 0.459 20 5 DCBDRO O=C(NCC1C[NH+](Cc2ccc(CO)cc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663310 665274398 /nfs/dbraw/zinc/27/43/98/665274398.db2.gz WLUOOQANQSITHQ-HUUCEWRRSA-N 1 0 319.361 0.392 20 5 DCBDRO NC(=O)C(=O)N1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000998016138 665387771 /nfs/dbraw/zinc/38/77/71/665387771.db2.gz LRWOYXFNQDDXJF-UHFFFAOYSA-N 1 0 320.349 0.408 20 5 DCBDRO C[C@@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000922543792 666480221 /nfs/dbraw/zinc/48/02/21/666480221.db2.gz VDSDLJPGDZPKIA-SNVBAGLBSA-N 1 0 318.333 0.843 20 5 DCBDRO COC(=O)C1=CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000863571858 667159292 /nfs/dbraw/zinc/15/92/92/667159292.db2.gz FZOHGJIIOXRPBM-PWSUYJOCSA-N 1 0 310.310 0.004 20 5 DCBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000866789723 667399008 /nfs/dbraw/zinc/39/90/08/667399008.db2.gz MEXYTNDTWFGZBP-IUCAKERBSA-N 1 0 317.754 0.983 20 5 DCBDRO [NH3+][C@H]1CCCN(S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000122398362 667622550 /nfs/dbraw/zinc/62/25/50/667622550.db2.gz MYRAFVFIFXINSO-QMMMGPOBSA-N 1 0 303.315 0.846 20 5 DCBDRO C[C@@H](CN1CCOCC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749674319 667960054 /nfs/dbraw/zinc/96/00/54/667960054.db2.gz HTAMQYGRMWWQRA-WFASDCNBSA-N 1 0 309.366 0.939 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000762720858 668374453 /nfs/dbraw/zinc/37/44/53/668374453.db2.gz DLKZJTNSCBNNNT-OAHLLOKOSA-N 1 0 322.365 0.457 20 5 DCBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000930207089 668976936 /nfs/dbraw/zinc/97/69/36/668976936.db2.gz CUQAXECGMWIDED-SNVBAGLBSA-N 1 0 301.368 0.864 20 5 DCBDRO O=C1NCC2(CC[NH+](CCn3cc([N+](=O)[O-])ccc3=O)CC2)O1 ZINC000781999740 669074950 /nfs/dbraw/zinc/07/49/50/669074950.db2.gz KVZCQJFRTBXPIJ-UHFFFAOYSA-N 1 0 322.321 0.331 20 5 DCBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1CO ZINC000931400484 669190935 /nfs/dbraw/zinc/19/09/35/669190935.db2.gz ZRATUOLKZDWOGJ-LBPRGKRZSA-N 1 0 322.365 0.532 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CC1)COCCO2 ZINC000880548803 669229994 /nfs/dbraw/zinc/22/99/94/669229994.db2.gz DAIUUHDDWLLYSE-UHFFFAOYSA-N 1 0 310.354 0.981 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000931654256 669241786 /nfs/dbraw/zinc/24/17/86/669241786.db2.gz ZTFRWQMSKJQMMT-GFCCVEGCSA-N 1 0 307.354 0.796 20 5 DCBDRO O=[N+]([O-])c1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)cc1F ZINC000881212849 669305677 /nfs/dbraw/zinc/30/56/77/669305677.db2.gz JUYJFEQUEQKSFA-UHFFFAOYSA-N 1 0 320.328 0.779 20 5 DCBDRO [NH3+]CCN(CCO)C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000857768288 670946293 /nfs/dbraw/zinc/94/62/93/670946293.db2.gz ONHQSFPAHFOSMJ-UHFFFAOYSA-N 1 0 319.264 0.346 20 5 DCBDRO Cc1c(C(=O)NC[C@H]2C[NH2+]CCO2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000818007595 670962115 /nfs/dbraw/zinc/96/21/15/670962115.db2.gz FEQQBIQVWLNBKF-SNVBAGLBSA-N 1 0 324.293 0.530 20 5 DCBDRO CC[S@@](=O)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819046871 671089710 /nfs/dbraw/zinc/08/97/10/671089710.db2.gz DMPGRWASNHNEJX-WIUDPPPLSA-N 1 0 316.379 0.693 20 5 DCBDRO NC(=O)[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)O1 ZINC000819157134 671099228 /nfs/dbraw/zinc/09/92/28/671099228.db2.gz UKSAWJZWQQKQJB-XQQFMLRXSA-N 1 0 309.322 0.251 20 5 DCBDRO NC(=O)[C@@H]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)O1 ZINC000819154319 671099512 /nfs/dbraw/zinc/09/95/12/671099512.db2.gz GWXUQMKLYSFQMI-AGIUHOORSA-N 1 0 309.322 0.251 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CN(C)CCO1 ZINC000819177154 671099814 /nfs/dbraw/zinc/09/98/14/671099814.db2.gz AYYSTGWHYKJWJX-TUKIKUTGSA-N 1 0 309.366 0.937 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCO1 ZINC000819178382 671101016 /nfs/dbraw/zinc/10/10/16/671101016.db2.gz WSWOQKPECLQHNE-GLQYFDAESA-N 1 0 309.366 0.937 20 5 DCBDRO CS(=O)(=O)C1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819276933 671108109 /nfs/dbraw/zinc/10/81/09/671108109.db2.gz WAUITKBEFZGAPR-LBPRGKRZSA-N 1 0 314.363 0.795 20 5 DCBDRO NC(=O)c1cc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000853242430 671223974 /nfs/dbraw/zinc/22/39/74/671223974.db2.gz SFCMRLLQDDMKMN-VXGBXAGGSA-N 1 0 320.349 0.969 20 5 DCBDRO CC(C)(CCC(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N+](=O)[O-] ZINC000840454240 671267372 /nfs/dbraw/zinc/26/73/72/671267372.db2.gz XHYFOJUVTWVPAQ-GFCCVEGCSA-N 1 0 301.387 0.785 20 5 DCBDRO Nc1ccc(-c2noc(C[C@H]3COCC[NH2+]3)n2)cc1[N+](=O)[O-] ZINC000822635289 671335108 /nfs/dbraw/zinc/33/51/08/671335108.db2.gz VERQBEVFFBTPOS-VIFPVBQESA-N 1 0 305.294 0.758 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000827330233 671523280 /nfs/dbraw/zinc/52/32/80/671523280.db2.gz KYPDUMKZRPHCJI-AAEUAGOBSA-N 1 0 307.354 0.734 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827329843 671523355 /nfs/dbraw/zinc/52/33/55/671523355.db2.gz INCLYFXBOLLPLX-NEPJUHHUSA-N 1 0 307.354 0.652 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000827528037 671530607 /nfs/dbraw/zinc/53/06/07/671530607.db2.gz FSGJSMXKYAXTHU-RBSFLKMASA-N 1 0 319.361 0.881 20 5 DCBDRO CCO[C@H](CNC(=O)c1cc([N+](=O)[O-])cnc1C)C[NH+](C)C ZINC000831771126 671685159 /nfs/dbraw/zinc/68/51/59/671685159.db2.gz INQLZCORIJDUOG-GFCCVEGCSA-N 1 0 310.354 0.995 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1 ZINC000843110685 672062992 /nfs/dbraw/zinc/06/29/92/672062992.db2.gz GOKIGRLHMKCPCG-UMVBOHGHSA-N 1 0 310.350 0.863 20 5 DCBDRO [NH3+]CCc1noc(-c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1 ZINC000843130823 672064789 /nfs/dbraw/zinc/06/47/89/672064789.db2.gz BAOMISVQXWXPIU-UHFFFAOYSA-N 1 0 319.321 0.983 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843395709 672091212 /nfs/dbraw/zinc/09/12/12/672091212.db2.gz MHVOGGQONYUYJC-CYBMUJFWSA-N 1 0 323.349 0.988 20 5 DCBDRO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CCC(C)(C)[N+](=O)[O-] ZINC000844040257 672141916 /nfs/dbraw/zinc/14/19/16/672141916.db2.gz UPSHIKDRXHSQCR-NSHDSACASA-N 1 0 314.386 0.400 20 5 DCBDRO COc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138833 693709649 /nfs/dbraw/zinc/70/96/49/693709649.db2.gz COLDNVFDFNWDCN-FDYHWXHSSA-N 1 0 320.349 0.492 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C2(C)CC2)C1 ZINC001020181675 693725185 /nfs/dbraw/zinc/72/51/85/693725185.db2.gz QJMWKEXGYDUACM-MGCOHNPYSA-N 1 0 307.354 0.865 20 5 DCBDRO C[NH2+]CCC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001573901623 1163580111 /nfs/dbraw/zinc/58/01/11/1163580111.db2.gz BLOZNZPHUUYDDR-UHFFFAOYSA-N 1 0 320.349 0.489 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(OS(=O)(=O)C[C@H]2CC[NH2+]C2)c1 ZINC001574034155 1163627608 /nfs/dbraw/zinc/62/76/08/1163627608.db2.gz ZIRRHOBYTASMGD-VIFPVBQESA-N 1 0 316.335 0.922 20 5 DCBDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001576608514 1164411481 /nfs/dbraw/zinc/41/14/81/1164411481.db2.gz SWSGOAPGOLFYDG-ONGXEEELSA-N 1 0 307.306 0.734 20 5 DCBDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001576608511 1164412600 /nfs/dbraw/zinc/41/26/00/1164412600.db2.gz SWSGOAPGOLFYDG-KOLCDFICSA-N 1 0 307.306 0.734 20 5 DCBDRO C[C@H]1CC2(CN1C(=O)c1nn(C)cc1[N+](=O)[O-])CC[NH2+]CC2 ZINC001576637903 1164420743 /nfs/dbraw/zinc/42/07/43/1164420743.db2.gz KWYTZYICJYJWBQ-JTQLQIEISA-N 1 0 307.354 0.933 20 5 DCBDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001576909118 1164526391 /nfs/dbraw/zinc/52/63/91/1164526391.db2.gz PIDFDSDVECXZKG-RITPCOANSA-N 1 0 317.733 0.814 20 5 DCBDRO CCc1n[nH]c(C(=O)N2CC[NH2+]C[C@H]2CCOC)c1[N+](=O)[O-] ZINC001578243657 1164963183 /nfs/dbraw/zinc/96/31/83/1164963183.db2.gz UPGRFZZBBOZIMM-SECBINFHSA-N 1 0 311.342 0.331 20 5 DCBDRO CN(CCCCCC[NH3+])C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001578465287 1165023934 /nfs/dbraw/zinc/02/39/34/1165023934.db2.gz YDYDHMCNCOKWAN-UHFFFAOYSA-N 1 0 310.354 0.734 20 5 DCBDRO C[NH2+]C[C@H](O)[C@H](C)C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001578641531 1165074414 /nfs/dbraw/zinc/07/44/14/1165074414.db2.gz UFZDKRWDMGWXTK-HZMBPMFUSA-N 1 0 323.349 0.401 20 5 DCBDRO CO[C@@]1(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCOC1 ZINC001578926059 1165161647 /nfs/dbraw/zinc/16/16/47/1165161647.db2.gz AVZAYFGNLNILKM-HUUCEWRRSA-N 1 0 323.349 0.690 20 5 DCBDRO COc1ccc(C(=O)NC2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC001579189797 1165232982 /nfs/dbraw/zinc/23/29/82/1165232982.db2.gz QMSCZFVHRRUWFH-UHFFFAOYSA-N 1 0 309.322 0.841 20 5 DCBDRO COc1ccc(C(=O)CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC001579188713 1165233139 /nfs/dbraw/zinc/23/31/39/1165233139.db2.gz NKPURPWRDMCZLL-MGCOHNPYSA-N 1 0 307.306 0.640 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001579514799 1165335483 /nfs/dbraw/zinc/33/54/83/1165335483.db2.gz WQFWCINGWFXMRM-SNVBAGLBSA-N 1 0 323.353 0.596 20 5 DCBDRO Cc1cc(C(=O)N2CCNC(=O)CC23C[NH2+]C3)ccc1[N+](=O)[O-] ZINC001579558010 1165347113 /nfs/dbraw/zinc/34/71/13/1165347113.db2.gz KDNVAARFFKTYQV-UHFFFAOYSA-N 1 0 318.333 0.207 20 5 DCBDRO Cc1nn(CCC(=O)NC[C@@H]2C[NH2+]C[C@H]2C)c(C)c1[N+](=O)[O-] ZINC001579895782 1165427785 /nfs/dbraw/zinc/42/77/85/1165427785.db2.gz VEZSNJFKUUKSPN-SKDRFNHKSA-N 1 0 309.370 0.770 20 5 DCBDRO Cn1ccc(CCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)n1 ZINC001579970998 1165455684 /nfs/dbraw/zinc/45/56/84/1165455684.db2.gz HMBQRYJTLPLFBU-OAHLLOKOSA-N 1 0 317.349 0.861 20 5 DCBDRO [NH3+][C@@H]1C[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC001580167189 1165524690 /nfs/dbraw/zinc/52/46/90/1165524690.db2.gz VLMIKXQALVEYKT-APIJFGDWSA-N 1 0 321.377 0.849 20 5 DCBDRO [NH3+]Cc1ncc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001580356568 1165582537 /nfs/dbraw/zinc/58/25/37/1165582537.db2.gz IIIFDLLRZYTCTI-UHFFFAOYSA-N 1 0 301.306 0.816 20 5 DCBDRO [NH3+][C@H](CO)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC001580409569 1165595979 /nfs/dbraw/zinc/59/59/79/1165595979.db2.gz RRAULXQPERJEDN-MRVPVSSYSA-N 1 0 318.127 0.293 20 5 DCBDRO C[NH+](C)CC1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001591015241 1167082133 /nfs/dbraw/zinc/08/21/33/1167082133.db2.gz JXLFBKDLZBCXAQ-UHFFFAOYSA-N 1 0 304.314 0.168 20 5 DCBDRO O=[N+]([O-])c1c(NCC[N@H+]2CC[C@H](O)C2)cccc1-c1nn[nH]n1 ZINC001593466337 1167856658 /nfs/dbraw/zinc/85/66/58/1167856658.db2.gz YQKUSIVDWPWINC-VIFPVBQESA-N 1 0 319.325 0.253 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+](CCO)CC1CC1 ZINC001593483091 1167867648 /nfs/dbraw/zinc/86/76/48/1167867648.db2.gz UHVWQZGCFASBFP-UHFFFAOYSA-N 1 0 318.337 0.979 20 5 DCBDRO C[C@H]1C[C@@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC001620943557 1167960393 /nfs/dbraw/zinc/96/03/93/1167960393.db2.gz ATWFUJQDJCYXBS-QWRGUYRKSA-N 1 0 308.338 0.355 20 5 DCBDRO Cc1cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC001621058530 1169126461 /nfs/dbraw/zinc/12/64/61/1169126461.db2.gz RKOBNZWTTHOANV-ZIAGYGMSSA-N 1 0 306.322 0.810 20 5 DCBDRO C[C@H](CNc1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1)C[NH+](C)C ZINC001609114209 1170814867 /nfs/dbraw/zinc/81/48/67/1170814867.db2.gz ZSAOCIXOZCAAON-MRVPVSSYSA-N 1 0 320.357 0.967 20 5 DCBDRO C[C@H]1C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001609174216 1170846356 /nfs/dbraw/zinc/84/63/56/1170846356.db2.gz SLAKUMBLTLPOKN-QPUJVOFHSA-N 1 0 304.310 0.588 20 5 DCBDRO C[NH+](C)CC1CCN(C(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001616225762 1171376753 /nfs/dbraw/zinc/37/67/53/1171376753.db2.gz TUFBDODNMPPJIH-UHFFFAOYSA-N 1 0 307.354 0.986 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)n1 ZINC001623488859 1171439018 /nfs/dbraw/zinc/43/90/18/1171439018.db2.gz PRYCBVUWNVXOJM-QWRGUYRKSA-N 1 0 323.353 0.092 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC001627864871 1171513285 /nfs/dbraw/zinc/51/32/85/1171513285.db2.gz BHLYMQYWAOIBPS-LLVKDONJSA-N 1 0 322.365 0.754 20 5 DCBDRO O=C(NC1CC[NH+](C2CCOCC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC001632554688 1171619192 /nfs/dbraw/zinc/61/91/92/1171619192.db2.gz WDZVFLXIEURLAN-UHFFFAOYSA-N 1 0 323.353 0.691 20 5 DCBDRO C[N@@H+]1CCCC12CCN(C(=O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC001632804149 1171625922 /nfs/dbraw/zinc/62/59/22/1171625922.db2.gz AUYFLMLHAIOEKI-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC001634744994 1171686757 /nfs/dbraw/zinc/68/67/57/1171686757.db2.gz QAAKKLWJZNCMLM-UHFFFAOYSA-N 1 0 307.310 0.125 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC001635677997 1171711063 /nfs/dbraw/zinc/71/10/63/1171711063.db2.gz IMDOYVIWLSRZIU-BETUJISGSA-N 1 0 323.353 0.161 20 5 DCBDRO CCc1n[nH]c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC001635942219 1171717504 /nfs/dbraw/zinc/71/75/04/1171717504.db2.gz QTHXNQKXNDKIKV-QMMMGPOBSA-N 1 0 309.326 0.083 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001635942442 1171718403 /nfs/dbraw/zinc/71/84/03/1171718403.db2.gz TXUJWBXVTOGAJU-GFCCVEGCSA-N 1 0 305.334 0.727 20 5 DCBDRO CC(C)c1n[nH]c(C(=O)N(C)CC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC001641452888 1171916564 /nfs/dbraw/zinc/91/65/64/1171916564.db2.gz GPJRTVRYUWPBRT-UHFFFAOYSA-N 1 0 313.358 0.437 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC001643421484 1171976816 /nfs/dbraw/zinc/97/68/16/1171976816.db2.gz HVCVDRJSTFVVND-AAEUAGOBSA-N 1 0 311.338 0.134 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)CC1 ZINC001648047602 1173065812 /nfs/dbraw/zinc/06/58/12/1173065812.db2.gz KSIYZQGCCLSKNO-UHFFFAOYSA-N 1 0 324.337 0.224 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH+]2CCC1CC2 ZINC001651509109 1173750551 /nfs/dbraw/zinc/75/05/51/1173750551.db2.gz CCBCVUSTUAYKRS-JTQLQIEISA-N 1 0 305.338 0.842 20 5 DCBDRO COC(=O)CNC(=O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC001652971185 1173779909 /nfs/dbraw/zinc/77/99/09/1173779909.db2.gz CJAKRQONVHPHNC-WDZFZDKYSA-N 1 0 321.333 0.877 20 5 DCBDRO COC(=O)[C@]12C[C@H]1CCCN2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001654870542 1173811941 /nfs/dbraw/zinc/81/19/41/1173811941.db2.gz DCXZROXGEZXFTI-OSMZGAPFSA-N 1 0 324.337 0.180 20 5 DCBDRO Cc1nc(CC[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001668820215 1174845480 /nfs/dbraw/zinc/84/54/80/1174845480.db2.gz DHFYYTUUKBWRSC-LLGAQUFESA-N 1 0 324.406 0.921 20 5 DCBDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC001680390978 1175814539 /nfs/dbraw/zinc/81/45/39/1175814539.db2.gz BPDASYFFAZPPPD-LLVKDONJSA-N 1 0 310.358 0.575 20 5 DCBDRO C[N@H+](CCCNC(=O)c1nnc[nH]1)Cc1ccccc1[N+](=O)[O-] ZINC001689866280 1177093904 /nfs/dbraw/zinc/09/39/04/1177093904.db2.gz XPVFOROSSSLERM-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO Cc1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)sn1 ZINC001699650700 1178238971 /nfs/dbraw/zinc/23/89/71/1178238971.db2.gz BTBZWOXGKFUHOJ-GHMZBOCLSA-N 1 0 310.379 0.855 20 5 DCBDRO NC(=O)C(=O)NC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001715100229 1181688539 /nfs/dbraw/zinc/68/85/39/1181688539.db2.gz OXFQYGYQPHLRTH-UHFFFAOYSA-N 1 0 320.349 0.599 20 5 DCBDRO CCn1ncc(CNC2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)n1 ZINC001717150043 1182697092 /nfs/dbraw/zinc/69/70/92/1182697092.db2.gz LYHNNUVGZKNEII-VXGBXAGGSA-N 1 0 322.369 0.092 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1nc[nH]n1 ZINC001753244807 1188547273 /nfs/dbraw/zinc/54/72/73/1188547273.db2.gz ZFHMXYCBOMTYQB-UHFFFAOYSA-N 1 0 304.310 0.575 20 5 DCBDRO O=[N+]([O-])c1ccc2ncc(N3CCN4CC[NH2+]C[C@@H]4C3)nc2c1 ZINC001164391035 718830345 /nfs/dbraw/zinc/83/03/45/718830345.db2.gz IDILBJGXUJDEJT-GFCCVEGCSA-N 1 0 314.349 0.632 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC001164669336 719382826 /nfs/dbraw/zinc/38/28/26/719382826.db2.gz UTVULMKKVPUGNZ-WDEREUQCSA-N 1 0 309.282 0.417 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1-n1c(C)ncc(C[NH3+])c1=N ZINC001167674689 747516661 /nfs/dbraw/zinc/51/66/61/747516661.db2.gz UXCLNXMIRWFAGY-UHFFFAOYSA-N 1 0 317.305 0.814 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1-n1c(C)ncc(C[NH3+])c1=N ZINC001167677036 747532197 /nfs/dbraw/zinc/53/21/97/747532197.db2.gz GRUBCLMOVIHVSM-UHFFFAOYSA-N 1 0 318.293 0.209 20 5 DCBDRO CS(=O)(=O)c1ccc(-n2ccc(C[NH3+])cc2=N)c([N+](=O)[O-])c1 ZINC001167693612 747704208 /nfs/dbraw/zinc/70/42/08/747704208.db2.gz WWBLYDQBHHRZQJ-UHFFFAOYSA-N 1 0 322.346 0.727 20 5 DCBDRO CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)nn1 ZINC001105235425 748075407 /nfs/dbraw/zinc/07/54/07/748075407.db2.gz FDEBWBCKPKYRNW-CHWSQXEVSA-N 1 0 322.369 0.216 20 5 DCBDRO CN1CCN(C(=[NH2+])Nc2cccc3ncc([N+](=O)[O-])n32)CC1 ZINC001168746357 754081724 /nfs/dbraw/zinc/08/17/24/754081724.db2.gz LTIZMQMJORDAJV-UHFFFAOYSA-N 1 0 303.326 0.837 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnccn1 ZINC001122826558 767880063 /nfs/dbraw/zinc/88/00/63/767880063.db2.gz KQZQUSBGDPDPMZ-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO O=C(NC[C@H]1C[C@@H]([NH2+]Cc2ccccn2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086083439 759692994 /nfs/dbraw/zinc/69/29/94/759692994.db2.gz YXRLDXYDZXPIPH-YXCITZCRSA-N 1 0 304.350 0.731 20 5 DCBDRO Cc1nccnc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001086084171 759693377 /nfs/dbraw/zinc/69/33/77/759693377.db2.gz GRIQIWHJOQXAAJ-GFQSEFKGSA-N 1 0 319.365 0.435 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](CNC(=O)C2CC2)C1 ZINC001086288330 759953321 /nfs/dbraw/zinc/95/33/21/759953321.db2.gz QRMLUVDPASITFK-HOMQSWHASA-N 1 0 307.354 0.723 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363098 760101533 /nfs/dbraw/zinc/10/15/33/760101533.db2.gz BMGXXOKMYHXHNU-CNVPUSNMSA-N 1 0 310.379 0.793 20 5 DCBDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169046273 760562398 /nfs/dbraw/zinc/56/23/98/760562398.db2.gz KFIWAKAPYSHGTL-TUAOUCFPSA-N 1 0 313.354 0.185 20 5 DCBDRO Nc1ccnc(NCc2ncn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001169241305 760611547 /nfs/dbraw/zinc/61/15/47/760611547.db2.gz UMGYBWMPDLSVGK-UHFFFAOYSA-N 1 0 303.326 0.874 20 5 DCBDRO C[N@@H+]1CCN(c2nnc(C[N+](=O)[O-])n2CC2CC2)CC1(C)C ZINC001123508442 767989356 /nfs/dbraw/zinc/98/93/56/767989356.db2.gz XSQPGYUUVLRVID-UHFFFAOYSA-N 1 0 308.386 0.995 20 5 DCBDRO CC1(C)OC[C@@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])O1 ZINC001169907919 760921512 /nfs/dbraw/zinc/92/15/12/760921512.db2.gz NHQKVMZXOAYYPK-SECBINFHSA-N 1 0 309.326 0.635 20 5 DCBDRO COC(=O)Cc1ccc(NC[C@@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC001170044853 761676308 /nfs/dbraw/zinc/67/63/08/761676308.db2.gz NJKNENDXCXDVPA-GFCCVEGCSA-N 1 0 309.322 0.711 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn[nH]c(=O)c1 ZINC001129992758 763082612 /nfs/dbraw/zinc/08/26/12/763082612.db2.gz UQPCRHQMNHNWPE-UHFFFAOYSA-N 1 0 317.305 0.610 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1[C@@H]2COC[C@@H]21 ZINC001132605494 764535363 /nfs/dbraw/zinc/53/53/63/764535363.db2.gz SHQKXTHNPMKCPD-IAZYJMLFSA-N 1 0 311.363 0.755 20 5 DCBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170788865 765782114 /nfs/dbraw/zinc/78/21/14/765782114.db2.gz KTGKOOVKGQKVOL-GXSJLCMTSA-N 1 0 309.322 0.682 20 5 DCBDRO Cc1nn(CCC(=O)NCC[NH+]2CC=CC2)c(C)c1[N+](=O)[O-] ZINC001116193128 765848093 /nfs/dbraw/zinc/84/80/93/765848093.db2.gz LVBUHNNLFOLXOG-UHFFFAOYSA-N 1 0 307.354 0.786 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NCCCN2CC[NH+](C)CC2)n1 ZINC001135878233 766150024 /nfs/dbraw/zinc/15/00/24/766150024.db2.gz RYMQQHMWHIIFKR-UHFFFAOYSA-N 1 0 321.381 0.666 20 5 DCBDRO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001159670102 766187704 /nfs/dbraw/zinc/18/77/04/766187704.db2.gz BSKODWJMOGNPFD-RFZPGFLSSA-N 1 0 308.125 0.684 20 5 DCBDRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001120596723 767089180 /nfs/dbraw/zinc/08/91/80/767089180.db2.gz JJFXXDYYSCDDRT-DGCLKSJQSA-N 1 0 311.386 0.615 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122062328 767709001 /nfs/dbraw/zinc/70/90/01/767709001.db2.gz BTSMOGLFHYBBJK-SNVBAGLBSA-N 1 0 320.349 0.522 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC2(C[NH3+])COC2)c1F ZINC001173183651 769556411 /nfs/dbraw/zinc/55/64/11/769556411.db2.gz CPPLAYZYYYAUSS-VIFPVBQESA-N 1 0 313.329 0.991 20 5 DCBDRO C[NH+]1CCC(CCO)(NC(=O)c2cnc(N)c([N+](=O)[O-])c2)CC1 ZINC001153333419 769789978 /nfs/dbraw/zinc/78/99/78/769789978.db2.gz QAMLMHJXZHTNBV-UHFFFAOYSA-N 1 0 323.353 0.149 20 5 DCBDRO NC(=O)CCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001153455399 769819233 /nfs/dbraw/zinc/81/92/33/769819233.db2.gz IJVGVVLZCBMGMN-UHFFFAOYSA-N 1 0 308.338 0.456 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC001155153289 770416040 /nfs/dbraw/zinc/41/60/40/770416040.db2.gz PGGLJAPHHWGNIC-LLVKDONJSA-N 1 0 312.301 0.846 20 5 DCBDRO COC(=O)[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c(N)n2)CC1 ZINC001155159803 770419089 /nfs/dbraw/zinc/41/90/89/770419089.db2.gz NDBBJMOBPHNJKS-NSHDSACASA-N 1 0 309.326 0.289 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@@H]2COC[C@@H]2[NH3+])n1 ZINC001155346710 770473456 /nfs/dbraw/zinc/47/34/56/770473456.db2.gz MDPCBDFFMGYRAT-CRCLSJGQSA-N 1 0 305.747 0.898 20 5 DCBDRO COc1nc(NCc2nnn3c2C[NH2+]CCC3)ccc1[N+](=O)[O-] ZINC001155393541 770488767 /nfs/dbraw/zinc/48/87/67/770488767.db2.gz CHYDRSAALGYLGL-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)n1 ZINC001155509884 770530392 /nfs/dbraw/zinc/53/03/92/770530392.db2.gz LZNQGKFTHPFMOS-OPRDCNLKSA-N 1 0 322.325 0.050 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cscn1 ZINC001155684666 770588800 /nfs/dbraw/zinc/58/88/00/770588800.db2.gz ZJGHQNREEMWHDT-UHFFFAOYSA-N 1 0 324.366 0.695 20 5 DCBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCOCC12CC2 ZINC001155834840 770632618 /nfs/dbraw/zinc/63/26/18/770632618.db2.gz OHVXFRKOIQCLSI-UHFFFAOYSA-N 1 0 320.353 0.164 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)n1 ZINC001179009106 770928757 /nfs/dbraw/zinc/92/87/57/770928757.db2.gz YOLOCZACYOZICT-JTQLQIEISA-N 1 0 306.322 0.501 20 5 DCBDRO Cn1c(Cl)cnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157767662 771665779 /nfs/dbraw/zinc/66/57/79/771665779.db2.gz RGOBRXYGSKDYRR-RKDXNWHRSA-N 1 0 315.761 0.335 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1nc(CC[NH3+])nc1C ZINC001158128426 771728968 /nfs/dbraw/zinc/72/89/68/771728968.db2.gz FTBOIWRTBYVKLB-UHFFFAOYSA-N 1 0 306.282 0.167 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001159497579 771919651 /nfs/dbraw/zinc/91/96/51/771919651.db2.gz IYKXGENFYZQMTQ-CABZTGNLSA-N 1 0 324.337 0.955 20 5 DCBDRO CCOC(=O)c1ccnc(N[C@H](C)[C@@H]2C[NH2+]CCO2)c1[N+](=O)[O-] ZINC001159502457 771920707 /nfs/dbraw/zinc/92/07/07/771920707.db2.gz NBKVQYAXBKNULU-KOLCDFICSA-N 1 0 324.337 0.955 20 5 DCBDRO Nc1ncc(CCNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)s1 ZINC001160383427 772030090 /nfs/dbraw/zinc/03/00/90/772030090.db2.gz AWVVJNILLTUELA-UHFFFAOYSA-N 1 0 321.366 0.765 20 5 DCBDRO C[NH+]1CCN(CCCNc2ccc([N+](=O)[O-])c(C(N)=O)n2)CC1 ZINC001161700766 772268107 /nfs/dbraw/zinc/26/81/07/772268107.db2.gz RQWFPKOPEUHJCK-UHFFFAOYSA-N 1 0 322.369 0.138 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@H]2C[NH2+]CC(C)(C)O2)n1 ZINC001161953909 772305760 /nfs/dbraw/zinc/30/57/60/772305760.db2.gz CIKVACLMPMOTBB-SECBINFHSA-N 1 0 311.342 0.881 20 5 DCBDRO CCOC(=O)COc1ncc(-n2cnc(C[NH3+])c2)cc1[N+](=O)[O-] ZINC001162302125 772356265 /nfs/dbraw/zinc/35/62/65/772356265.db2.gz LHBVMXIDTLJUPB-UHFFFAOYSA-N 1 0 321.293 0.576 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1nc(OC)ncc1[N+](=O)[O-] ZINC001162532901 772387624 /nfs/dbraw/zinc/38/76/24/772387624.db2.gz YJUYVTKXKLKKMF-UHFFFAOYSA-N 1 0 322.281 0.215 20 5 DCBDRO COC(=O)[C@@H](Nc1nc(C)nc(OC)c1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162942494 772433988 /nfs/dbraw/zinc/43/39/88/772433988.db2.gz OGIZHCVXBWFCMT-MRVPVSSYSA-N 1 0 313.314 0.393 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163080398 772455774 /nfs/dbraw/zinc/45/57/74/772455774.db2.gz FQWLCKLFLUGTLU-LLVKDONJSA-N 1 0 322.321 0.567 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)c1F ZINC001163163863 772475588 /nfs/dbraw/zinc/47/55/88/772475588.db2.gz NEQRZVWFUVUGSN-KKZNHRDASA-N 1 0 312.301 0.404 20 5 DCBDRO Cc1c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163250636 772491524 /nfs/dbraw/zinc/49/15/24/772491524.db2.gz OVSWSCMUJFDRLS-ZWNOBZJWSA-N 1 0 321.293 0.801 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)c1 ZINC001163348248 772511424 /nfs/dbraw/zinc/51/14/24/772511424.db2.gz XJCPJFGEOXNPJE-CDMKHQONSA-N 1 0 307.306 0.923 20 5 DCBDRO CCOC(=O)c1nc(Cl)nc(N(C)CC[NH3+])c1[N+](=O)[O-] ZINC001163687122 772558871 /nfs/dbraw/zinc/55/88/71/772558871.db2.gz AJWJPFUJPBOWNT-UHFFFAOYSA-N 1 0 303.706 0.610 20 5 DCBDRO CCOC(=O)c1nc(Cl)nc(N2CC([NH2+]C)C2)c1[N+](=O)[O-] ZINC001163702629 772560377 /nfs/dbraw/zinc/56/03/77/772560377.db2.gz KQGGZAAPURJICS-UHFFFAOYSA-N 1 0 315.717 0.623 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1ccc2[nH]cc([N+](=O)[O-])c2n1 ZINC001165438593 772738274 /nfs/dbraw/zinc/73/82/74/772738274.db2.gz HVFUIQSZLHOSGC-SNVBAGLBSA-N 1 0 305.294 0.422 20 5 DCBDRO CNC(=O)N[C@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001193198971 773023282 /nfs/dbraw/zinc/02/32/82/773023282.db2.gz ZTSBWWIUBVXLJD-WCQYABFASA-N 1 0 308.338 0.632 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCS(=O)(=O)c1ccccc1 ZINC001206094938 773047082 /nfs/dbraw/zinc/04/70/82/773047082.db2.gz HUNRKKMSALFVBK-GFCCVEGCSA-N 1 0 316.399 0.418 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Nc3ccncc3[N+](=O)[O-])[C@H]2C1 ZINC001215998193 774098235 /nfs/dbraw/zinc/09/82/35/774098235.db2.gz XVFIFBLLQAIJIC-DCAQKATOSA-N 1 0 305.338 0.873 20 5 DCBDRO CC(=O)O[C@H]1C[C@@H]2C[C@H](Oc3ncc([N+](=O)[O-])cn3)C[C@H]1[N@@H+]2C ZINC001226734540 775870384 /nfs/dbraw/zinc/87/03/84/775870384.db2.gz YBLUCTHJSMPSJA-SYEHKZFSSA-N 1 0 322.321 0.930 20 5 DCBDRO COC(=O)c1cc(F)ccc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001227771657 776005593 /nfs/dbraw/zinc/00/55/93/776005593.db2.gz YHBOIDFPKKWZIR-LLVKDONJSA-N 1 0 314.333 0.975 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnccc1C ZINC001480974583 939507959 /nfs/dbraw/zinc/50/79/59/939507959.db2.gz OZJQINUIDCQBBT-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO CCN(CC[NH2+]CCn1nc(C)cc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450514 940126965 /nfs/dbraw/zinc/12/69/65/940126965.db2.gz WVAVNULWMAAAIC-ZIAGYGMSSA-N 1 0 323.397 0.603 20 5 DCBDRO C[N@H+](CCNC(=O)Cn1cncn1)Cc1ccc([N+](=O)[O-])cc1 ZINC001317469371 944989823 /nfs/dbraw/zinc/98/98/23/944989823.db2.gz DIDCAQZBGCWABM-UHFFFAOYSA-N 1 0 318.337 0.435 20 5 DCBDRO COC(=O)[C@@H]1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC001246941458 945520766 /nfs/dbraw/zinc/52/07/66/945520766.db2.gz VTZCCAXGDSZYKA-LERXQTSPSA-N 1 0 307.350 0.958 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC001248137223 945594010 /nfs/dbraw/zinc/59/40/10/945594010.db2.gz FOOYAJVBYAYYRY-MRVPVSSYSA-N 1 0 309.257 0.710 20 5 DCBDRO O=c1cc2c(n[nH]1)CC[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC001320532114 945916001 /nfs/dbraw/zinc/91/60/01/945916001.db2.gz NBENNNBLYABIDS-UHFFFAOYSA-N 1 0 317.305 0.310 20 5 DCBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH3+])S(C)(=O)=O ZINC001254532074 946405962 /nfs/dbraw/zinc/40/59/62/946405962.db2.gz JQZWMDNVMWQIIK-JTQLQIEISA-N 1 0 301.368 0.746 20 5 DCBDRO COC(=O)CNC(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254543593 946408036 /nfs/dbraw/zinc/40/80/36/946408036.db2.gz UEAWSDSSNSSWPM-JTQLQIEISA-N 1 0 309.322 0.405 20 5 DCBDRO Cc1nccnc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001322505564 946704127 /nfs/dbraw/zinc/70/41/27/946704127.db2.gz MPURPNQTKLQNGL-DGCLKSJQSA-N 1 0 307.354 0.388 20 5 DCBDRO Cc1noc(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)c1[N+](=O)[O-] ZINC001261648021 947385542 /nfs/dbraw/zinc/38/55/42/947385542.db2.gz PNAMVTMRLALFAB-UHFFFAOYSA-N 1 0 309.282 0.065 20 5 DCBDRO [NH3+]CCCOCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001261818830 947446638 /nfs/dbraw/zinc/44/66/38/947446638.db2.gz IYBJWIYDHRCHKV-UHFFFAOYSA-N 1 0 308.338 0.985 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001262567181 947729566 /nfs/dbraw/zinc/72/95/66/947729566.db2.gz KWGJBZHXAFLIFS-CYBMUJFWSA-N 1 0 308.338 0.725 20 5 DCBDRO COCC[NH+](CCOC)C1CN(c2ccc([N+](=O)[O-])nc2)C1 ZINC001262700605 947754255 /nfs/dbraw/zinc/75/42/55/947754255.db2.gz LQQSPSQJRBVKEB-UHFFFAOYSA-N 1 0 310.354 0.773 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC001326086246 948047006 /nfs/dbraw/zinc/04/70/06/948047006.db2.gz ACFQESLDVQTXIG-RNCFNFMXSA-N 1 0 308.338 0.825 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC001326583973 948207366 /nfs/dbraw/zinc/20/73/66/948207366.db2.gz QLGWNYJUOOYSGY-AWEZNQCLSA-N 1 0 323.349 0.811 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001328489050 948922472 /nfs/dbraw/zinc/92/24/72/948922472.db2.gz KIAJGGOBWYEJCD-GFCCVEGCSA-N 1 0 323.353 0.161 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001329611331 949716502 /nfs/dbraw/zinc/71/65/02/949716502.db2.gz BBTIYSXDULBUNP-NSHDSACASA-N 1 0 322.365 0.401 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)C1 ZINC001329760581 949848900 /nfs/dbraw/zinc/84/89/00/949848900.db2.gz RWFCMDKUGZDXBD-FOGDFJRCSA-N 1 0 323.353 0.676 20 5 DCBDRO CN1CC[NH+](C2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)CC1 ZINC001329881142 949947565 /nfs/dbraw/zinc/94/75/65/949947565.db2.gz IJEJMNUOZSRYLI-UHFFFAOYSA-N 1 0 322.369 0.170 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC001331612658 951194173 /nfs/dbraw/zinc/19/41/73/951194173.db2.gz MGWHJIDMJZEOCH-ONGXEEELSA-N 1 0 324.385 0.001 20 5 DCBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC(N2CC[NH+](CC)CC2)C1 ZINC001336728913 952757885 /nfs/dbraw/zinc/75/78/85/952757885.db2.gz HYTJINIJIPZWSG-UHFFFAOYSA-N 1 0 322.413 0.946 20 5 DCBDRO Cn1cc(CN2CCC([NH+]3CCN(C)CC3)CC2)c([N+](=O)[O-])n1 ZINC001336791938 952766189 /nfs/dbraw/zinc/76/61/89/952766189.db2.gz YYPJQJKEDRBIAH-UHFFFAOYSA-N 1 0 322.413 0.540 20 5 DCBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001338798538 953052590 /nfs/dbraw/zinc/05/25/90/953052590.db2.gz XSHRGQODBCLIGX-VXGBXAGGSA-N 1 0 308.386 0.555 20 5 DCBDRO Cc1n[nH]c(C(=O)NCCC[NH+]2CCC(O)CC2)c1[N+](=O)[O-] ZINC001339285047 953085912 /nfs/dbraw/zinc/08/59/12/953085912.db2.gz ZKTWLGQRPQVMSX-UHFFFAOYSA-N 1 0 311.342 0.203 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001340748767 953192411 /nfs/dbraw/zinc/19/24/11/953192411.db2.gz QGVFYEHAFHGWAS-ZDUSSCGKSA-N 1 0 309.366 0.911 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001342127470 953271315 /nfs/dbraw/zinc/27/13/15/953271315.db2.gz HZKYPZWDGOMOGT-OAHLLOKOSA-N 1 0 318.377 0.989 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001342488604 953292031 /nfs/dbraw/zinc/29/20/31/953292031.db2.gz PBXFVESQRLHEPV-GFCCVEGCSA-N 1 0 309.370 0.898 20 5 DCBDRO Cc1c(CC(=O)N2CC[C@](O)(C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC001347176020 954038409 /nfs/dbraw/zinc/03/84/09/954038409.db2.gz YFOLRYMTQDONPA-INIZCTEOSA-N 1 0 321.377 0.971 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001349389179 954735782 /nfs/dbraw/zinc/73/57/82/954735782.db2.gz IOJHILUKDVPJFV-MNOVXSKESA-N 1 0 306.322 0.109 20 5 DCBDRO C[NH2+]CCOCCNC(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001351546149 955329625 /nfs/dbraw/zinc/32/96/25/955329625.db2.gz NGSHMJDSMZBPOO-UHFFFAOYSA-N 1 0 308.338 0.856 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CN(C)CCN1C ZINC001353316076 956016735 /nfs/dbraw/zinc/01/67/35/956016735.db2.gz MGUGECZBKXOADT-APHBMKBZSA-N 1 0 322.409 0.852 20 5 DCBDRO [NH3+]C[C@@H]1C[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001353497892 956082750 /nfs/dbraw/zinc/08/27/50/956082750.db2.gz ZKRQGYLJJKOJEW-FZMZJTMJSA-N 1 0 304.350 0.838 20 5 DCBDRO CN1CC[NH2+]C[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC001357253052 957239196 /nfs/dbraw/zinc/23/91/96/957239196.db2.gz DSEJXGOZIFVHHD-HNNXBMFYSA-N 1 0 320.393 0.937 20 5 DCBDRO CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)CC1 ZINC001296787708 958048985 /nfs/dbraw/zinc/04/89/85/958048985.db2.gz BPZKZHHCXNPTJN-XJFOESAGSA-N 1 0 310.398 0.326 20 5 DCBDRO COc1c(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001456303360 1010181978 /nfs/dbraw/zinc/18/19/78/1010181978.db2.gz LRSBXGYYZAZAEU-SNVBAGLBSA-N 1 0 321.333 0.806 20 5 DCBDRO Nc1ncc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC001556663383 1012216167 /nfs/dbraw/zinc/21/61/67/1012216167.db2.gz IQEVKBQITMNYEQ-NSHDSACASA-N 1 0 323.353 0.149 20 5 DCBDRO CC[C@@H]1C[N@H+](CC)CCN1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835119 1012429445 /nfs/dbraw/zinc/42/94/45/1012429445.db2.gz AKLDROZSRBPYMP-TZMCWYRMSA-N 1 0 311.386 0.568 20 5 DCBDRO COC[C@](C)(CO)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC001560064923 1012439528 /nfs/dbraw/zinc/43/95/28/1012439528.db2.gz YATLAESZMIWFKA-FZMZJTMJSA-N 1 0 314.338 0.322 20 5 DCBDRO Nc1ncc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC001543013671 1012497676 /nfs/dbraw/zinc/49/76/76/1012497676.db2.gz SIQZKAWSUJNHRF-WDEREUQCSA-N 1 0 305.338 0.929 20 5 DCBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C[C@@H](O)C3(O)CCC3)C2)nc1 ZINC001459701287 1012818108 /nfs/dbraw/zinc/81/81/08/1012818108.db2.gz SRMTZGMPASOMDQ-WCQYABFASA-N 1 0 322.365 0.752 20 5 DCBDRO NC(=O)C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC001459928079 1012836805 /nfs/dbraw/zinc/83/68/05/1012836805.db2.gz YOKYMOUDIKDMIT-GFCCVEGCSA-N 1 0 308.338 0.750 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCOC2)cc1 ZINC000088694784 185262366 /nfs/dbraw/zinc/26/23/66/185262366.db2.gz LXINQXWNLLTXJC-SNVBAGLBSA-N 1 0 315.351 0.252 20 5 DCBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)CC1 ZINC000299515123 530050628 /nfs/dbraw/zinc/05/06/28/530050628.db2.gz VIOLIDOMSSPHBJ-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[NH+](C)CC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000330757781 232046143 /nfs/dbraw/zinc/04/61/43/232046143.db2.gz FDRBPMZCGGPUBS-UHFFFAOYSA-N 1 0 309.370 0.982 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)CC[NH+](C)C ZINC000080387916 192154125 /nfs/dbraw/zinc/15/41/25/192154125.db2.gz OWAROKFBVIZFDH-NSHDSACASA-N 1 0 322.365 0.733 20 5 DCBDRO CCC[N@H+](CC)CCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000174643421 198364310 /nfs/dbraw/zinc/36/43/10/198364310.db2.gz LDZKTSKQQJLIMW-UHFFFAOYSA-N 1 0 310.354 0.605 20 5 DCBDRO COc1cc(OCC(=O)N2CC[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000178540918 198885791 /nfs/dbraw/zinc/88/57/91/198885791.db2.gz DTBIDXVFERNDIE-SNVBAGLBSA-N 1 0 309.322 0.789 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000178679819 198910260 /nfs/dbraw/zinc/91/02/60/198910260.db2.gz LNWZVESIXZLFAH-MRVPVSSYSA-N 1 0 304.306 0.903 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000153271038 237014515 /nfs/dbraw/zinc/01/45/15/237014515.db2.gz XFRPJUKVZHICBG-AWEZNQCLSA-N 1 0 311.338 0.402 20 5 DCBDRO C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C(N)=O)C1 ZINC000187417618 237344729 /nfs/dbraw/zinc/34/47/29/237344729.db2.gz LNPPKPXPDCXIBQ-ZANVPECISA-N 1 0 320.349 0.780 20 5 DCBDRO Cc1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1C ZINC000313823354 291252381 /nfs/dbraw/zinc/25/23/81/291252381.db2.gz LIEXONKGITUUDM-CQSZACIVSA-N 1 0 305.338 0.954 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1 ZINC000315438632 291253268 /nfs/dbraw/zinc/25/32/68/291253268.db2.gz YWZKVIKTYIWPAF-MGPQQGTHSA-N 1 0 309.370 0.369 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2CCN3CCCC[C@H]23)c1 ZINC000315438630 291253563 /nfs/dbraw/zinc/25/35/63/291253563.db2.gz YWZKVIKTYIWPAF-HZSPNIEDSA-N 1 0 309.370 0.369 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCOC3(CCC3)C2)c1 ZINC000566114634 291271144 /nfs/dbraw/zinc/27/11/44/291271144.db2.gz CSVFHWYKKNQKOB-YPMHNXCESA-N 1 0 310.354 0.844 20 5 DCBDRO C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000566215951 291283728 /nfs/dbraw/zinc/28/37/28/291283728.db2.gz FSBTVVCAWNRRMB-SECBINFHSA-N 1 0 314.367 0.738 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000566508250 291310128 /nfs/dbraw/zinc/31/01/28/291310128.db2.gz QYSHJOPQGLZIKG-KOLCDFICSA-N 1 0 306.322 0.250 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419272770 239882421 /nfs/dbraw/zinc/88/24/21/239882421.db2.gz PZGKVLZPFKOLCU-MWLCHTKSSA-N 1 0 322.365 0.791 20 5 DCBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])n[nH]1 ZINC000423959840 240250614 /nfs/dbraw/zinc/25/06/14/240250614.db2.gz CDZKVQPCDBPGMH-CMPLNLGQSA-N 1 0 301.306 0.803 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000493763929 241152074 /nfs/dbraw/zinc/15/20/74/241152074.db2.gz YIVYXTBGFZLIDK-QDDHOEGMSA-N 1 0 305.334 0.741 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCN(CCN3CC[NH2+]CC3)CC2)cn1 ZINC000567899687 291389352 /nfs/dbraw/zinc/38/93/52/291389352.db2.gz PESNGVJKDWVALF-UHFFFAOYSA-N 1 0 320.397 0.017 20 5 DCBDRO C[C@]1(C[NH3+])CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000568510769 291432648 /nfs/dbraw/zinc/43/26/48/291432648.db2.gz FRVPZWOVGDSCDV-LLVKDONJSA-N 1 0 300.340 0.349 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264706866 204093172 /nfs/dbraw/zinc/09/31/72/204093172.db2.gz FBJOCPDJGNGCTA-CQSZACIVSA-N 1 0 306.366 0.499 20 5 DCBDRO C[N@H+](CCNc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1)C1CC1 ZINC000264794924 204162590 /nfs/dbraw/zinc/16/25/90/204162590.db2.gz BFPXUFVFCACIAU-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO O=C(c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[NH2+]CC1 ZINC000238170115 284606934 /nfs/dbraw/zinc/60/69/34/284606934.db2.gz UQJDPGWQTRIWHB-UHFFFAOYSA-N 1 0 316.317 0.872 20 5 DCBDRO Cc1cc(C(=O)N(C)CCN2CCOCC2)c(N)c([N+](=O)[O-])c1 ZINC000104887252 194049609 /nfs/dbraw/zinc/04/96/09/194049609.db2.gz CRYAUAIPZKIIHL-UHFFFAOYSA-N 1 0 322.365 0.890 20 5 DCBDRO C[C@]1(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CCC[NH2+]C1 ZINC000273015304 210396328 /nfs/dbraw/zinc/39/63/28/210396328.db2.gz PPARYWDGXAMAFN-AWEZNQCLSA-N 1 0 308.338 0.262 20 5 DCBDRO CC(C)(C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000351169927 254334522 /nfs/dbraw/zinc/33/45/22/254334522.db2.gz RNENBXKBWLSQEA-WCQGTBRESA-N 1 0 307.354 0.722 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000349940941 254305089 /nfs/dbraw/zinc/30/50/89/254305089.db2.gz VEICORYVTKUZEN-JTQLQIEISA-N 1 0 323.353 0.248 20 5 DCBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330732449 533592529 /nfs/dbraw/zinc/59/25/29/533592529.db2.gz JNHOCNUKKIPSAT-SNVBAGLBSA-N 1 0 310.358 0.375 20 5 DCBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1cc([N+](=O)[O-])n[nH]1 ZINC000285698134 131194458 /nfs/dbraw/zinc/19/44/58/131194458.db2.gz HLPCCDPRQDXMFL-SNVBAGLBSA-N 1 0 311.342 0.285 20 5 DCBDRO CC[NH+]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000026711277 395694477 /nfs/dbraw/zinc/69/44/77/395694477.db2.gz BPPUHBSZZDTJDW-CQSZACIVSA-N 1 0 309.366 0.972 20 5 DCBDRO O=C(NCCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])[nH]1 ZINC000270723318 395801002 /nfs/dbraw/zinc/80/10/02/395801002.db2.gz XBPMWGQYEBYENF-NSHDSACASA-N 1 0 310.354 0.890 20 5 DCBDRO COCCC(C)(C)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000234637054 395889925 /nfs/dbraw/zinc/88/99/25/395889925.db2.gz KYYISMSCNLOXHP-GFCCVEGCSA-N 1 0 300.359 0.805 20 5 DCBDRO C[NH2+]C[C@H](C)C(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237304374 395909168 /nfs/dbraw/zinc/90/91/68/395909168.db2.gz IUGZGBQYIXXESA-QWRGUYRKSA-N 1 0 307.354 0.858 20 5 DCBDRO C[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237449357 395912470 /nfs/dbraw/zinc/91/24/70/395912470.db2.gz YCRRIYDEMJRQJY-MRVPVSSYSA-N 1 0 312.351 0.288 20 5 DCBDRO CC(C)(C)C[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000226087939 395865230 /nfs/dbraw/zinc/86/52/30/395865230.db2.gz VRXMOZPXBYTOQL-NEPJUHHUSA-N 1 0 300.359 0.539 20 5 DCBDRO CNC(=O)C1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000274529432 395956040 /nfs/dbraw/zinc/95/60/40/395956040.db2.gz QLXKTKWUWYQVSQ-UHFFFAOYSA-N 1 0 306.322 0.601 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)[C@H](C)C1 ZINC000248667388 395993766 /nfs/dbraw/zinc/99/37/66/395993766.db2.gz PPPFZLBHIDTBTL-MNOVXSKESA-N 1 0 320.353 0.529 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000068468094 396056573 /nfs/dbraw/zinc/05/65/73/396056573.db2.gz NEFDMPIPWDQYMA-GFCCVEGCSA-N 1 0 309.370 0.946 20 5 DCBDRO C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000066343510 396005538 /nfs/dbraw/zinc/00/55/38/396005538.db2.gz WMLLBLOZBIVFRS-CHWSQXEVSA-N 1 0 319.365 0.115 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000070303829 396101125 /nfs/dbraw/zinc/10/11/25/396101125.db2.gz KWMYFKFTBARVNX-UHFFFAOYSA-N 1 0 303.340 0.443 20 5 DCBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]C[C@H]2O)c1 ZINC000262227578 396113148 /nfs/dbraw/zinc/11/31/48/396113148.db2.gz KAVOTGQBONJXRK-PRHODGIISA-N 1 0 311.363 0.627 20 5 DCBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000176860095 396161464 /nfs/dbraw/zinc/16/14/64/396161464.db2.gz JACPOOXBULUEMH-LLVKDONJSA-N 1 0 313.358 0.264 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177046409 396165642 /nfs/dbraw/zinc/16/56/42/396165642.db2.gz BWKQGEHPHRUHEB-KOLCDFICSA-N 1 0 307.354 0.841 20 5 DCBDRO CC[NH+](CC)[C@@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000076058829 396195056 /nfs/dbraw/zinc/19/50/56/396195056.db2.gz HYWRSDRPRPTDOL-OCCSQVGLSA-N 1 0 311.386 0.568 20 5 DCBDRO O=C([C@@H]1CCC[NH2+]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000078426690 396244892 /nfs/dbraw/zinc/24/48/92/396244892.db2.gz NJVZEWNRDJODQD-AWEZNQCLSA-N 1 0 304.350 0.995 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000183384789 396269389 /nfs/dbraw/zinc/26/93/89/396269389.db2.gz FGZMWINEEMRLIZ-UHFFFAOYSA-N 1 0 309.370 0.996 20 5 DCBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCN1CCNC(=O)C1 ZINC000280673540 396213950 /nfs/dbraw/zinc/21/39/50/396213950.db2.gz HTFSYOSOJMRTNJ-UHFFFAOYSA-N 1 0 310.358 0.353 20 5 DCBDRO CN(CC[NH+](C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000081061216 396292665 /nfs/dbraw/zinc/29/26/65/396292665.db2.gz KCBOMPDMNDAPHA-UHFFFAOYSA-N 1 0 305.331 0.916 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+](CCO)CCCO)c1 ZINC000264646444 396298372 /nfs/dbraw/zinc/29/83/72/396298372.db2.gz WYYWMDALZZKBBE-ZDUSSCGKSA-N 1 0 314.338 0.011 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000269186964 396392473 /nfs/dbraw/zinc/39/24/73/396392473.db2.gz CQRNBDMVCCWFOG-CYBMUJFWSA-N 1 0 320.349 0.568 20 5 DCBDRO CC(C)c1n[nH]c(C(=O)NCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000269411001 396412420 /nfs/dbraw/zinc/41/24/20/396412420.db2.gz VNTIBHVHJPVWQS-UHFFFAOYSA-N 1 0 324.385 0.419 20 5 DCBDRO CNC(=O)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000269542866 396423057 /nfs/dbraw/zinc/42/30/57/396423057.db2.gz VXKSNYDQBJZLIS-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000287990728 396436210 /nfs/dbraw/zinc/43/62/10/396436210.db2.gz AUOZORJMBMDJHL-VIFPVBQESA-N 1 0 324.337 0.608 20 5 DCBDRO C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193254519 396447349 /nfs/dbraw/zinc/44/73/49/396447349.db2.gz URCFAULVEZRYCW-UHFFFAOYSA-N 1 0 310.335 0.641 20 5 DCBDRO CC[NH2+]CCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000193256287 396447556 /nfs/dbraw/zinc/44/75/56/396447556.db2.gz FWJCCYKZBYXKKM-UHFFFAOYSA-N 1 0 321.330 0.630 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000289167752 396456166 /nfs/dbraw/zinc/45/61/66/396456166.db2.gz HJRKKYJMRCFAHS-AWEZNQCLSA-N 1 0 307.354 0.784 20 5 DCBDRO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)[C@@H](C)C[NH2+]1 ZINC000595108948 396550157 /nfs/dbraw/zinc/55/01/57/396550157.db2.gz RITIKQYELXQTLZ-IUCAKERBSA-N 1 0 300.340 0.361 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000595245467 396569717 /nfs/dbraw/zinc/56/97/17/396569717.db2.gz RTDQPCMJXGLFGG-MRVPVSSYSA-N 1 0 310.310 0.266 20 5 DCBDRO O=C1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CN1 ZINC000595286680 396580639 /nfs/dbraw/zinc/58/06/39/396580639.db2.gz JLVOFTJTPQNACN-LLVKDONJSA-N 1 0 305.338 0.248 20 5 DCBDRO COC(=O)[C@H]1CN(Cc2onc(C)c2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000595534688 396627081 /nfs/dbraw/zinc/62/70/81/396627081.db2.gz JVRCQONWOWYVIW-SNVBAGLBSA-N 1 0 312.326 0.428 20 5 DCBDRO COc1cccc(C(=O)N2CCC(O)(C[NH3+])CC2)c1[N+](=O)[O-] ZINC000584838238 396628481 /nfs/dbraw/zinc/62/84/81/396628481.db2.gz KFVRYKPISGANKX-UHFFFAOYSA-N 1 0 309.322 0.529 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)CC2)C1 ZINC000586782150 396665434 /nfs/dbraw/zinc/66/54/34/396665434.db2.gz JWBBXCIUIJGNBI-NSHDSACASA-N 1 0 322.369 0.170 20 5 DCBDRO O=C(CNC1(CO)CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000595901127 396679095 /nfs/dbraw/zinc/67/90/95/396679095.db2.gz AQDSNLSCDSGGIN-UHFFFAOYSA-N 1 0 308.338 0.237 20 5 DCBDRO C[C@@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000595978770 396702219 /nfs/dbraw/zinc/70/22/19/396702219.db2.gz OIZCAPZFIFGHPE-MNOVXSKESA-N 1 0 308.338 0.342 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000595984582 396703711 /nfs/dbraw/zinc/70/37/11/396703711.db2.gz WCIVTCQHHNKETA-NXEZZACHSA-N 1 0 308.338 0.437 20 5 DCBDRO CC(C)N(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)C ZINC000314547478 396782784 /nfs/dbraw/zinc/78/27/84/396782784.db2.gz DQPBAXSZUSZWLM-CQSZACIVSA-N 1 0 313.402 0.861 20 5 DCBDRO C[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H](C)S1 ZINC000304285233 396728821 /nfs/dbraw/zinc/72/88/21/396728821.db2.gz FNLYYKBKRCXULF-JFGNBEQYSA-N 1 0 300.384 0.978 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000304288091 396728852 /nfs/dbraw/zinc/72/88/52/396728852.db2.gz BGKHRQANEWNLJY-ZFWWWQNUSA-N 1 0 323.397 0.712 20 5 DCBDRO COC1CC[NH+](CCNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000610573262 396731976 /nfs/dbraw/zinc/73/19/76/396731976.db2.gz RMAIOGAVOMBUIZ-UHFFFAOYSA-N 1 0 324.337 0.536 20 5 DCBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000610885602 396776246 /nfs/dbraw/zinc/77/62/46/396776246.db2.gz GCXPTIPUJCZHPU-LBPRGKRZSA-N 1 0 324.385 0.963 20 5 DCBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@]1(O)CCOC1)OCCO2 ZINC000611108430 396818448 /nfs/dbraw/zinc/81/84/48/396818448.db2.gz QHUFILBGXMPOIY-CQSZACIVSA-N 1 0 310.306 0.607 20 5 DCBDRO O=C(CNc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC[C@@H](O)C1 ZINC000600537170 396887047 /nfs/dbraw/zinc/88/70/47/396887047.db2.gz YDYADGPTNHYFSQ-LLVKDONJSA-N 1 0 308.338 0.190 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000591270625 396891799 /nfs/dbraw/zinc/89/17/99/396891799.db2.gz ZCUBTARRSNKQAU-NSHDSACASA-N 1 0 323.353 0.710 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000591355919 396906973 /nfs/dbraw/zinc/90/69/73/396906973.db2.gz ALJZWVKRGJJWCZ-FZMZJTMJSA-N 1 0 322.365 0.895 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591438532 396920893 /nfs/dbraw/zinc/92/08/93/396920893.db2.gz MTBREQSBKZUMAA-KOLCDFICSA-N 1 0 306.322 0.965 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)c([N+](=O)[O-])c1 ZINC000591448869 396922556 /nfs/dbraw/zinc/92/25/56/396922556.db2.gz OVXFKXLIFPQBOG-MFKMUULPSA-N 1 0 304.350 0.878 20 5 DCBDRO C[NH+]1CCC(Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC1 ZINC000591589369 396932018 /nfs/dbraw/zinc/93/20/18/396932018.db2.gz CHMJYLMQCMMZER-UHFFFAOYSA-N 1 0 322.369 0.728 20 5 DCBDRO CC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591728507 396992433 /nfs/dbraw/zinc/99/24/33/396992433.db2.gz OCPSRQVVRKTPMO-LLVKDONJSA-N 1 0 317.367 0.234 20 5 DCBDRO O=C1NCCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591734688 396994271 /nfs/dbraw/zinc/99/42/71/396994271.db2.gz ANIFWCCEYVGILB-WCQYABFASA-N 1 0 323.349 0.450 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCN(CC3CC3)C2)c1 ZINC000591735387 396994500 /nfs/dbraw/zinc/99/45/00/396994500.db2.gz YPKRDPSJFZOVHI-JSGCOSHPSA-N 1 0 309.370 0.226 20 5 DCBDRO Cc1cc(OCC(=O)N[C@H](CO)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000597655001 397046525 /nfs/dbraw/zinc/04/65/25/397046525.db2.gz XELYMYMHMSEKQK-NSHDSACASA-N 1 0 311.338 0.321 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000597653549 397046878 /nfs/dbraw/zinc/04/68/78/397046878.db2.gz LGBJJQFSQIOSIM-NSHDSACASA-N 1 0 309.366 0.911 20 5 DCBDRO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461758 397060409 /nfs/dbraw/zinc/06/04/09/397060409.db2.gz ODOLPABVMALZSY-ABAIWWIYSA-N 1 0 307.350 0.881 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000592332939 397154234 /nfs/dbraw/zinc/15/42/34/397154234.db2.gz AJJKQCCBLHTQNV-ZETCQYMHSA-N 1 0 314.729 0.441 20 5 DCBDRO O=C1NCCN1[C@H]1CCC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000377958904 397171244 /nfs/dbraw/zinc/17/12/44/397171244.db2.gz KDCDYWRRLIHYSH-NSHDSACASA-N 1 0 308.342 0.281 20 5 DCBDRO CC[C@H](C)C[C@@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592430180 397175042 /nfs/dbraw/zinc/17/50/42/397175042.db2.gz GZNHQDDYWIRCPO-GVXVVHGQSA-N 1 0 300.359 0.539 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F)c1 ZINC000592432084 397176391 /nfs/dbraw/zinc/17/63/91/397176391.db2.gz LGKUYLYFXWHDEJ-GXSJLCMTSA-N 1 0 324.255 0.847 20 5 DCBDRO C[C@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)[C@H]1C[NH3+] ZINC000592471054 397185469 /nfs/dbraw/zinc/18/54/69/397185469.db2.gz LDLNPHAOJBCPDD-QWRGUYRKSA-N 1 0 308.338 0.342 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000619785217 397192862 /nfs/dbraw/zinc/19/28/62/397192862.db2.gz OVUFCBMUGRPYFA-UHFFFAOYSA-N 1 0 302.294 0.675 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000592548812 397207541 /nfs/dbraw/zinc/20/75/41/397207541.db2.gz FHCQXVRDPZKQKZ-ZDUSSCGKSA-N 1 0 321.333 0.880 20 5 DCBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000598341900 397216310 /nfs/dbraw/zinc/21/63/10/397216310.db2.gz HZLZLDFKPZZTJW-LLVKDONJSA-N 1 0 308.338 0.357 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592568277 397218463 /nfs/dbraw/zinc/21/84/63/397218463.db2.gz LYZJQUMQWGHGJO-LLVKDONJSA-N 1 0 307.354 0.891 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592570523 397219266 /nfs/dbraw/zinc/21/92/66/397219266.db2.gz MJBNHWNBDUJBAZ-GFCCVEGCSA-N 1 0 307.354 0.972 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598666321 397271492 /nfs/dbraw/zinc/27/14/92/397271492.db2.gz XEVDCIJJKRANSU-SECBINFHSA-N 1 0 309.326 0.570 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598669686 397272615 /nfs/dbraw/zinc/27/26/15/397272615.db2.gz MQHYBDXBBJNIQZ-BXUZGUMPSA-N 1 0 307.354 0.830 20 5 DCBDRO COc1ccccc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000386757154 397289211 /nfs/dbraw/zinc/28/92/11/397289211.db2.gz FTNZVYQFHIRUOG-ZDUSSCGKSA-N 1 0 306.322 0.951 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000574876872 397308338 /nfs/dbraw/zinc/30/83/38/397308338.db2.gz DJHPNAMWHAJCPD-RYUDHWBXSA-N 1 0 307.354 0.639 20 5 DCBDRO CN1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1=O ZINC000574392793 397261918 /nfs/dbraw/zinc/26/19/18/397261918.db2.gz HCWGBNGVQRSQFZ-MNOVXSKESA-N 1 0 309.322 0.155 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)CCOCC[NH3+] ZINC000599110588 397341388 /nfs/dbraw/zinc/34/13/88/397341388.db2.gz AWMQZATZNRCJQN-UHFFFAOYSA-N 1 0 317.367 0.499 20 5 DCBDRO CNC(=O)c1ccc(NCC[N@@H+]2CC[C@H](O)C2)c([N+](=O)[O-])c1 ZINC000599199395 397361137 /nfs/dbraw/zinc/36/11/37/397361137.db2.gz JMUNCKWNMNXHFV-NSHDSACASA-N 1 0 308.338 0.433 20 5 DCBDRO C[C@@H](CO)C1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000593085817 397321959 /nfs/dbraw/zinc/32/19/59/397321959.db2.gz XQCBZHMJUFCBNF-SMDDNHRTSA-N 1 0 312.370 0.493 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000578442568 397436645 /nfs/dbraw/zinc/43/66/45/397436645.db2.gz YAHOXDQVYSORHM-VHSXEESVSA-N 1 0 314.367 0.880 20 5 DCBDRO O=C(c1c(F)cccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000602493603 397419872 /nfs/dbraw/zinc/41/98/72/397419872.db2.gz XVSQBBBXSILJLA-NSHDSACASA-N 1 0 322.340 0.854 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000602836676 397498599 /nfs/dbraw/zinc/49/85/99/397498599.db2.gz QQLOMTWMAXLXEG-CQSZACIVSA-N 1 0 323.397 0.896 20 5 DCBDRO O=[N+]([O-])c1ccc(CCn2cc(CN3CC[NH2+]CC3)nn2)cc1 ZINC000603197685 397582548 /nfs/dbraw/zinc/58/25/48/397582548.db2.gz QLPVOQPRZWIBMY-UHFFFAOYSA-N 1 0 316.365 0.834 20 5 DCBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](CO)C1 ZINC000602904127 397519587 /nfs/dbraw/zinc/51/95/87/397519587.db2.gz JEGWHIYQNLMGHF-LBPRGKRZSA-N 1 0 322.365 0.532 20 5 DCBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000599887307 397534708 /nfs/dbraw/zinc/53/47/08/397534708.db2.gz ALQHTZSIDOBMHI-CYBMUJFWSA-N 1 0 320.349 0.990 20 5 DCBDRO CC[N@H+](C)CCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000112926835 158143416 /nfs/dbraw/zinc/14/34/16/158143416.db2.gz UVZAMIJPUWBGBT-UHFFFAOYSA-N 1 0 309.322 0.854 20 5 DCBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161650402 158358619 /nfs/dbraw/zinc/35/86/19/158358619.db2.gz UNQWBMPDDCFMJF-CYBMUJFWSA-N 1 0 324.385 0.773 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261629735 158724686 /nfs/dbraw/zinc/72/46/86/158724686.db2.gz HLJKPGGGQHIKMX-MNOVXSKESA-N 1 0 311.363 0.825 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000266768168 158893365 /nfs/dbraw/zinc/89/33/65/158893365.db2.gz RMJLCXDTXXUTQO-ZDUSSCGKSA-N 1 0 320.353 0.755 20 5 DCBDRO COc1ccc(NC(=O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1 ZINC000359267805 159258768 /nfs/dbraw/zinc/25/87/68/159258768.db2.gz AWXOGNQFNIJDRD-PHIMTYICSA-N 1 0 320.349 0.693 20 5 DCBDRO COc1cc(C(=O)NCCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000237252869 287066036 /nfs/dbraw/zinc/06/60/36/287066036.db2.gz SRIWFOJEOISJME-UHFFFAOYSA-N 1 0 322.365 0.629 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])C(=O)N1CCC[NH2+]CC1 ZINC000419045290 287263650 /nfs/dbraw/zinc/26/36/50/287263650.db2.gz VWSNDQGYTKEVGK-UHFFFAOYSA-N 1 0 320.349 0.075 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000342734188 415272611 /nfs/dbraw/zinc/27/26/11/415272611.db2.gz MOTBVLYYFQJZAT-QWRGUYRKSA-N 1 0 324.385 0.553 20 5 DCBDRO COC(=O)CC[C@@H]([NH3+])C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000343422478 415594747 /nfs/dbraw/zinc/59/47/47/415594747.db2.gz VDUZYSHHZKGPRO-CYBMUJFWSA-N 1 0 321.333 0.760 20 5 DCBDRO O=C([C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1)N1CCCC1 ZINC000287359501 415660307 /nfs/dbraw/zinc/66/03/07/415660307.db2.gz LUHDHJZBRJWSGC-LBPRGKRZSA-N 1 0 307.354 0.736 20 5 DCBDRO C[C@@H](O)C[N@H+](CCO)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931050 415737840 /nfs/dbraw/zinc/73/78/40/415737840.db2.gz UVGOGMQIQBAONI-DGCLKSJQSA-N 1 0 314.338 0.010 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000425551220 287317289 /nfs/dbraw/zinc/31/72/89/287317289.db2.gz QACWUWRNDWOHQK-LLVKDONJSA-N 1 0 316.321 0.801 20 5 DCBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)C[NH+]1CCN(C)CC1 ZINC000122099506 415825271 /nfs/dbraw/zinc/82/52/71/415825271.db2.gz OUBXGPSELUILMJ-NSHDSACASA-N 1 0 310.354 0.801 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000336832699 415826239 /nfs/dbraw/zinc/82/62/39/415826239.db2.gz MRVMSUNKBPIXEF-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCN(CCO)CC2)cn1 ZINC000344421728 415912624 /nfs/dbraw/zinc/91/26/24/415912624.db2.gz PPAWYXFVTIZZPJ-UHFFFAOYSA-N 1 0 323.397 0.792 20 5 DCBDRO COC[C@@]1(C(=O)OC)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000296380329 415923873 /nfs/dbraw/zinc/92/38/73/415923873.db2.gz RZQWBTPNTCJCOW-CYBMUJFWSA-N 1 0 312.326 0.303 20 5 DCBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000298214417 415996862 /nfs/dbraw/zinc/99/68/62/415996862.db2.gz ZRICSWNGPQSIGC-UHFFFAOYSA-N 1 0 316.383 0.996 20 5 DCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000356880935 415999209 /nfs/dbraw/zinc/99/92/09/415999209.db2.gz WJXVDVHYNJEOMK-NSHDSACASA-N 1 0 324.385 0.084 20 5 DCBDRO C[C@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C1C[NH2+]C1 ZINC000357237879 416049909 /nfs/dbraw/zinc/04/99/09/416049909.db2.gz HOJQBMVNHKHMLG-CMPLNLGQSA-N 1 0 319.365 0.858 20 5 DCBDRO COC[C@@](C)([NH3+])CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-] ZINC000345158090 416056000 /nfs/dbraw/zinc/05/60/00/416056000.db2.gz DDBRAMXMGVWKTM-LBPRGKRZSA-N 1 0 317.367 0.774 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000344893862 416004660 /nfs/dbraw/zinc/00/46/60/416004660.db2.gz CUHKRPUDBCYADR-SECBINFHSA-N 1 0 317.367 0.832 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161591003 416013750 /nfs/dbraw/zinc/01/37/50/416013750.db2.gz VIUVYQZEOYGIAO-LBPRGKRZSA-N 1 0 322.369 0.671 20 5 DCBDRO NC(=O)c1ccnc(N2CC[C@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000357482065 416087470 /nfs/dbraw/zinc/08/74/70/416087470.db2.gz HFXPCLDNWUZJSZ-JTQLQIEISA-N 1 0 303.322 0.539 20 5 DCBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@@H]1C ZINC000345740821 416142684 /nfs/dbraw/zinc/14/26/84/416142684.db2.gz PLEZMLORSMVFCE-NWDGAFQWSA-N 1 0 324.385 0.915 20 5 DCBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCO[C@H](C[NH3+])C1 ZINC000358158130 416204574 /nfs/dbraw/zinc/20/45/74/416204574.db2.gz XJODRIQUEFOFRD-GXFFZTMASA-N 1 0 308.338 0.581 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000183973341 416249753 /nfs/dbraw/zinc/24/97/53/416249753.db2.gz CDTKEDMDQHUIRM-UHFFFAOYSA-N 1 0 311.338 0.404 20 5 DCBDRO [NH3+]C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000358432490 416236236 /nfs/dbraw/zinc/23/62/36/416236236.db2.gz RZEQVGYLZVUOGN-SSDOTTSWSA-N 1 0 307.353 0.005 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000193362440 416315796 /nfs/dbraw/zinc/31/57/96/416315796.db2.gz QXCUBXWLEWTYNP-UHFFFAOYSA-N 1 0 309.369 0.171 20 5 DCBDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000193584845 416318458 /nfs/dbraw/zinc/31/84/58/416318458.db2.gz QUERWLXHDIPCDB-YGRLFVJLSA-N 1 0 320.349 0.672 20 5 DCBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000193584856 416318765 /nfs/dbraw/zinc/31/87/65/416318765.db2.gz QUERWLXHDIPCDB-HZMBPMFUSA-N 1 0 320.349 0.672 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000248181379 416333105 /nfs/dbraw/zinc/33/31/05/416333105.db2.gz WLRGEELJDFRJAW-CFVMTHIKSA-N 1 0 324.381 0.779 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262411095 416336703 /nfs/dbraw/zinc/33/67/03/416336703.db2.gz QNSVEKKUOYZMJT-CYBMUJFWSA-N 1 0 315.333 0.795 20 5 DCBDRO Cc1cc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000415419801 416342304 /nfs/dbraw/zinc/34/23/04/416342304.db2.gz RGVKQNBVRDXNMO-LBPRGKRZSA-N 1 0 307.354 0.928 20 5 DCBDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415490518 416345211 /nfs/dbraw/zinc/34/52/11/416345211.db2.gz JPCAPJCWWWURJN-NSHDSACASA-N 1 0 324.312 0.883 20 5 DCBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415626800 416350187 /nfs/dbraw/zinc/35/01/87/416350187.db2.gz RIGFOTZRIXDFED-UFBFGSQYSA-N 1 0 324.312 0.787 20 5 DCBDRO O=C(NCCC[NH2+]C1CC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415856182 416356149 /nfs/dbraw/zinc/35/61/49/416356149.db2.gz DVDYCKCJRDNFIO-UHFFFAOYSA-N 1 0 324.312 0.931 20 5 DCBDRO Cn1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(=O)n(C)c1=O ZINC000237789035 416328880 /nfs/dbraw/zinc/32/88/80/416328880.db2.gz LSFUUKMSGMNZRQ-UHFFFAOYSA-N 1 0 304.306 0.282 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000428617185 287329588 /nfs/dbraw/zinc/32/95/88/287329588.db2.gz CAFCZIYCFMNASW-FOSCPWQOSA-N 1 0 307.354 0.889 20 5 DCBDRO COCC[NH2+]CCNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420227941 416417519 /nfs/dbraw/zinc/41/75/19/416417519.db2.gz PZXXQNDRGKTGCO-UHFFFAOYSA-N 1 0 307.310 1.293 20 5 DCBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000422627224 416443436 /nfs/dbraw/zinc/44/34/36/416443436.db2.gz NKSIGPVOTMRAFU-NSHDSACASA-N 1 0 301.306 0.708 20 5 DCBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590574375 416528105 /nfs/dbraw/zinc/52/81/05/416528105.db2.gz IMRZNDCHXWBNJU-GFCCVEGCSA-N 1 0 322.413 1.258 20 5 DCBDRO COc1ccc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423719013 416547643 /nfs/dbraw/zinc/54/76/43/416547643.db2.gz DTRHWNKYKADMGW-JTQLQIEISA-N 1 0 322.321 0.410 20 5 DCBDRO CC1(C)CN(CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])CCO1 ZINC000594260607 416558341 /nfs/dbraw/zinc/55/83/41/416558341.db2.gz JAYIQQJGYOVMCV-UHFFFAOYSA-N 1 0 323.353 0.413 20 5 DCBDRO CNc1nccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000594368823 416560840 /nfs/dbraw/zinc/56/08/40/416560840.db2.gz PNTDBQXJCAWRKP-NSHDSACASA-N 1 0 321.381 1.493 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423502854 416516280 /nfs/dbraw/zinc/51/62/80/416516280.db2.gz FFTKXJMXLOFLPU-NSHDSACASA-N 1 0 322.365 0.899 20 5 DCBDRO COc1cc(C(=O)N2CCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423541542 416520488 /nfs/dbraw/zinc/52/04/88/416520488.db2.gz SCZHZHMGHIRYSE-LLVKDONJSA-N 1 0 309.322 0.712 20 5 DCBDRO CN(CC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC000423996032 416603656 /nfs/dbraw/zinc/60/36/56/416603656.db2.gz VYBPFBRDVZNSIZ-LLVKDONJSA-N 1 0 308.338 0.136 20 5 DCBDRO C[C@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000424013918 416605430 /nfs/dbraw/zinc/60/54/30/416605430.db2.gz LAXQMORQUAFTLL-WDEREUQCSA-N 1 0 309.370 0.970 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000424022370 416606381 /nfs/dbraw/zinc/60/63/81/416606381.db2.gz SYKJSNCLHLYANO-UHFFFAOYSA-N 1 0 322.365 0.701 20 5 DCBDRO C[C@@H]1C[C@@H](C)N(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C[NH3+] ZINC000424077532 416610403 /nfs/dbraw/zinc/61/04/03/416610403.db2.gz RMBVLYHUUGQKPX-IJLUTSLNSA-N 1 0 322.365 0.588 20 5 DCBDRO CCN1CCCC[C@H]1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000514856253 416680507 /nfs/dbraw/zinc/68/05/07/416680507.db2.gz BIKGIROGAKUUKN-JSGCOSHPSA-N 1 0 311.386 0.616 20 5 DCBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000440357906 416632168 /nfs/dbraw/zinc/63/21/68/416632168.db2.gz OCNASTOLAZCKSI-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000440413888 416634533 /nfs/dbraw/zinc/63/45/33/416634533.db2.gz UZBPWKPFXXNIIF-SNVBAGLBSA-N 1 0 317.367 0.865 20 5 DCBDRO CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369693546 416816834 /nfs/dbraw/zinc/81/68/34/416816834.db2.gz TZXAPRRWYWUBQU-SECBINFHSA-N 1 0 324.341 0.272 20 5 DCBDRO CCC[C@]1(CO)CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000444771153 416870033 /nfs/dbraw/zinc/87/00/33/416870033.db2.gz IESQXTFIBVANRA-ZIAGYGMSSA-N 1 0 312.370 0.779 20 5 DCBDRO CNc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1[N+](=O)[O-] ZINC000560158293 416832807 /nfs/dbraw/zinc/83/28/07/416832807.db2.gz FXCPBCYZHQEBPA-LLVKDONJSA-N 1 0 308.338 0.745 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)CC(F)(F)F)c1 ZINC000518374754 416852724 /nfs/dbraw/zinc/85/27/24/416852724.db2.gz GQUBAFHRGIWNCU-VXNVDRBHSA-N 1 0 312.248 0.055 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2Cc3cccc(O)c3C2)c1 ZINC000429304073 416962048 /nfs/dbraw/zinc/96/20/48/416962048.db2.gz XNYLPXUYODJMMR-AAEUAGOBSA-N 1 0 318.333 0.615 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429325407 416964256 /nfs/dbraw/zinc/96/42/56/416964256.db2.gz FVKLNLADFQXOGM-SNVBAGLBSA-N 1 0 323.353 0.200 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(c3nc4sccn4c3[N+](=O)[O-])CCN2C1=O ZINC000519710670 416929049 /nfs/dbraw/zinc/92/90/49/416929049.db2.gz NEAAKMIOBXVQNJ-YUMQZZPRSA-N 1 0 322.350 0.052 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000428984985 416938898 /nfs/dbraw/zinc/93/88/98/416938898.db2.gz JFGVAWDIKKCVCA-VHSXEESVSA-N 1 0 322.321 0.352 20 5 DCBDRO C[C@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000565431189 416977268 /nfs/dbraw/zinc/97/72/68/416977268.db2.gz IAKSMQBBDHHHHF-SNVBAGLBSA-N 1 0 319.365 1.128 20 5 DCBDRO C[C@@H]1CC[C@H]([N@H+](CCO)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429761203 416992824 /nfs/dbraw/zinc/99/28/24/416992824.db2.gz DBLQDBIIRKTCRY-MBNYWOFBSA-N 1 0 312.370 0.635 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000447918434 417042608 /nfs/dbraw/zinc/04/26/08/417042608.db2.gz BDHSEHYNPMYWLC-YPMHNXCESA-N 1 0 323.349 0.971 20 5 DCBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000522901681 417071413 /nfs/dbraw/zinc/07/14/13/417071413.db2.gz RQBIJYVQBYYYMT-GFCCVEGCSA-N 1 0 322.365 0.603 20 5 DCBDRO CC(C)C[C@H](C[NH3+])NS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000568510596 417143867 /nfs/dbraw/zinc/14/38/67/417143867.db2.gz VKBPOEKXPCBHLD-SECBINFHSA-N 1 0 302.356 0.642 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)[C@@H](CC)Nc1c([N+](=O)[O-])c(C)nn1C ZINC000449611786 417156881 /nfs/dbraw/zinc/15/68/81/417156881.db2.gz YNGTWDCTADREKU-NXEZZACHSA-N 1 0 312.374 0.681 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000414659563 417291414 /nfs/dbraw/zinc/29/14/14/417291414.db2.gz TURHZKNZDUAEDR-SNVBAGLBSA-N 1 0 310.310 0.713 20 5 DCBDRO CO[C@]1(C)C[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451493605 417354810 /nfs/dbraw/zinc/35/48/10/417354810.db2.gz RNJIDDPZKQGVNL-SGMGOOAPSA-N 1 0 312.370 0.945 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@H]21 ZINC000570569939 417369559 /nfs/dbraw/zinc/36/95/59/417369559.db2.gz MBVXDUWDHAZTNO-XXILOJSOSA-N 1 0 306.322 0.895 20 5 DCBDRO CN(CC[NH3+])C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000571324750 417445578 /nfs/dbraw/zinc/44/55/78/417445578.db2.gz GXQQIZSUBREUKJ-UHFFFAOYSA-N 1 0 314.729 0.395 20 5 DCBDRO CNc1nccc(C(=O)N(C)CC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000576119571 417582346 /nfs/dbraw/zinc/58/23/46/417582346.db2.gz LBAIDDMHPRSADU-UHFFFAOYSA-N 1 0 307.354 1.199 20 5 DCBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000579142107 417690506 /nfs/dbraw/zinc/69/05/06/417690506.db2.gz ZNXJISNRTLZWSY-SNVBAGLBSA-N 1 0 307.354 1.127 20 5 DCBDRO CNc1nccc(C(=O)NCC2=CC[N@H+](C)CC2)c1[N+](=O)[O-] ZINC000577624969 417678329 /nfs/dbraw/zinc/67/83/29/417678329.db2.gz ZYTGANJFUYPKLF-UHFFFAOYSA-N 1 0 305.338 1.023 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299503705 229160305 /nfs/dbraw/zinc/16/03/05/229160305.db2.gz IIOYJWYVQSNYGD-LBPRGKRZSA-N 1 0 307.354 0.878 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(c3ncc([N+](=O)[O-])cn3)C2)CC1 ZINC000354611732 261245084 /nfs/dbraw/zinc/24/50/84/261245084.db2.gz YPGPPHZBVODFBN-GFCCVEGCSA-N 1 0 306.370 0.601 20 5 DCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000354944042 261290492 /nfs/dbraw/zinc/29/04/92/261290492.db2.gz USUMIXFMTCTTBV-JTQLQIEISA-N 1 0 323.353 0.240 20 5 DCBDRO NC(=O)c1ccnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1[N+](=O)[O-] ZINC000357482067 261546900 /nfs/dbraw/zinc/54/69/00/261546900.db2.gz HFXPCLDNWUZJSZ-SNVBAGLBSA-N 1 0 303.322 0.539 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361079753 261895210 /nfs/dbraw/zinc/89/52/10/261895210.db2.gz MAMCSIBLLTUJDB-STQMWFEESA-N 1 0 307.354 0.686 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000394613205 262162796 /nfs/dbraw/zinc/16/27/96/262162796.db2.gz NFOQWXFUWNQYNT-HTQZYQBOSA-N 1 0 303.340 0.617 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417182773 262247256 /nfs/dbraw/zinc/24/72/56/262247256.db2.gz PGJNFXOXFDADAZ-PJXYFTJBSA-N 1 0 306.322 0.620 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418772802 262288573 /nfs/dbraw/zinc/28/85/73/262288573.db2.gz BPBIXDPAZWVQMY-WDEREUQCSA-N 1 0 322.365 0.744 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418773342 262288651 /nfs/dbraw/zinc/28/86/51/262288651.db2.gz BXYMSEYCEBATKU-GWCFXTLKSA-N 1 0 320.349 0.722 20 5 DCBDRO C[NH2+]CCCNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419840998 262348688 /nfs/dbraw/zinc/34/86/88/262348688.db2.gz FNAGPSSXLOHJBH-UHFFFAOYSA-N 1 0 320.349 0.205 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-] ZINC000422763684 271383107 /nfs/dbraw/zinc/38/31/07/271383107.db2.gz UJYYZJWUOCFTQG-LLVKDONJSA-N 1 0 320.349 0.453 20 5 DCBDRO O=C(C[C@H]1C[NH2+]CCO1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000429718222 271456580 /nfs/dbraw/zinc/45/65/80/271456580.db2.gz JGYBTFGVGNKVHW-ZDUSSCGKSA-N 1 0 308.338 0.501 20 5 DCBDRO CCn1cc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000490055298 272068923 /nfs/dbraw/zinc/06/89/23/272068923.db2.gz OWEZAORPJNBQCG-SECBINFHSA-N 1 0 319.387 0.287 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000492561461 272135113 /nfs/dbraw/zinc/13/51/13/272135113.db2.gz KGSNVYBKOOIFJX-YVACAVLKSA-N 1 0 305.334 0.791 20 5 DCBDRO CC(=O)NCC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000521103986 272528629 /nfs/dbraw/zinc/52/86/29/272528629.db2.gz FOHKZBFOUULRJR-UHFFFAOYSA-N 1 0 315.351 0.094 20 5 DCBDRO Cc1ccccc1[C@H](CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000541053168 287915811 /nfs/dbraw/zinc/91/58/11/287915811.db2.gz GGOYDMXLRMHGJU-ZFWWWQNUSA-N 1 0 320.349 0.784 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@H]21 ZINC000342707511 277125001 /nfs/dbraw/zinc/12/50/01/277125001.db2.gz STPBRYODZDQITJ-VXGBXAGGSA-N 1 0 306.322 0.213 20 5 DCBDRO COc1ccc(CC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000545860964 288003220 /nfs/dbraw/zinc/00/32/20/288003220.db2.gz DXLWVQDWPMDLPO-HNNXBMFYSA-N 1 0 323.349 0.329 20 5 DCBDRO O=C(NCC1C[NH2+]C1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418492376 279837601 /nfs/dbraw/zinc/83/76/01/279837601.db2.gz UXKMBJQRDUKEEL-UHFFFAOYSA-N 1 0 319.365 0.646 20 5 DCBDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000549204044 288194596 /nfs/dbraw/zinc/19/45/96/288194596.db2.gz FJNHGBOJVGBONI-JTQLQIEISA-N 1 0 311.342 0.501 20 5 DCBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H](O)Cn3cccn3)nc2c1 ZINC000564863991 288779874 /nfs/dbraw/zinc/77/98/74/288779874.db2.gz LBYHFVFFBDUHSA-LLVKDONJSA-N 1 0 316.321 0.818 20 5 DCBDRO [NH3+]CC1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000576345337 341841515 /nfs/dbraw/zinc/84/15/15/341841515.db2.gz JUYZYXPABQHUQM-UHFFFAOYSA-N 1 0 300.340 0.349 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)COC1CC[NH2+]CC1 ZINC000577059022 341882229 /nfs/dbraw/zinc/88/22/29/341882229.db2.gz BZOLQRBJVOGAQB-UHFFFAOYSA-N 1 0 323.349 0.988 20 5 DCBDRO CC(C)(C[NH3+])NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000262555141 519233040 /nfs/dbraw/zinc/23/30/40/519233040.db2.gz XEICUNVWQQSSEI-UHFFFAOYSA-N 1 0 304.310 0.643 20 5 DCBDRO CC(C)([NH3+])CNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000269191727 519299931 /nfs/dbraw/zinc/29/99/31/519299931.db2.gz JVQLYWMLZIUEOQ-UHFFFAOYSA-N 1 0 308.338 0.568 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000160512365 522501862 /nfs/dbraw/zinc/50/18/62/522501862.db2.gz KNVQAUVFNZJFNX-PWSUYJOCSA-N 1 0 320.349 0.533 20 5 DCBDRO C[NH+]1CCC([C@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000270279609 523784591 /nfs/dbraw/zinc/78/45/91/523784591.db2.gz VFIICTBSMDPDKG-ZDUSSCGKSA-N 1 0 321.381 0.982 20 5 DCBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000176385631 524093076 /nfs/dbraw/zinc/09/30/76/524093076.db2.gz DLSJICHTBONETJ-SECBINFHSA-N 1 0 308.338 0.508 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000331869422 534757886 /nfs/dbraw/zinc/75/78/86/534757886.db2.gz SETKXNHSQQYOCY-UHFFFAOYSA-N 1 0 322.369 0.521 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000157369431 524908367 /nfs/dbraw/zinc/90/83/67/524908367.db2.gz GUUNUMUEPULUAH-JTQLQIEISA-N 1 0 315.351 0.170 20 5 DCBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NCCN1CC[NH2+]CC1 ZINC000238029787 527038196 /nfs/dbraw/zinc/03/81/96/527038196.db2.gz AZVSPWHXEJOEFH-UHFFFAOYSA-N 1 0 324.406 0.708 20 5 DCBDRO Nc1nc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000267357724 527556965 /nfs/dbraw/zinc/55/69/65/527556965.db2.gz HOIPONFKFUBIJY-JTQLQIEISA-N 1 0 308.342 0.126 20 5 DCBDRO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)c1[nH]ncc1[N+](=O)[O-] ZINC000128864691 527651814 /nfs/dbraw/zinc/65/18/14/527651814.db2.gz AMKJTVTUYDLZHH-SNVBAGLBSA-N 1 0 311.342 0.285 20 5 DCBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000296769592 529352314 /nfs/dbraw/zinc/35/23/14/529352314.db2.gz CFQXOEFIKZAWBU-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285544171 535704856 /nfs/dbraw/zinc/70/48/56/535704856.db2.gz LTNBWTVXVNJPRM-NSHDSACASA-N 1 0 324.385 0.321 20 5 DCBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000285544166 535716711 /nfs/dbraw/zinc/71/67/11/535716711.db2.gz LTNBWTVXVNJPRM-LLVKDONJSA-N 1 0 324.385 0.321 20 5 DCBDRO NS(=O)(=O)c1ccc(OC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000051889228 545654960 /nfs/dbraw/zinc/65/49/60/545654960.db2.gz WVRRTBVHSONRDG-QMMMGPOBSA-N 1 0 301.324 0.231 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736859389 598499199 /nfs/dbraw/zinc/49/91/99/598499199.db2.gz GVOVTPQHCUZYLC-MRVPVSSYSA-N 1 0 304.314 0.676 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000823652270 607230030 /nfs/dbraw/zinc/23/00/30/607230030.db2.gz XWSQQCZLJVUKDT-UHFFFAOYSA-N 1 0 314.309 0.761 20 5 DCBDRO C[C@@]1(C2CC2)COCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934480586 658440346 /nfs/dbraw/zinc/44/03/46/658440346.db2.gz DHKWWSYRQNKADM-KBPBESRZSA-N 1 0 310.354 0.653 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1nnc[nH]1 ZINC001020782511 658462468 /nfs/dbraw/zinc/46/24/68/658462468.db2.gz UMLNNOGWMYBNOW-XYPYZODXSA-N 1 0 316.321 0.764 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000892489984 658718918 /nfs/dbraw/zinc/71/89/18/658718918.db2.gz LMCCAXVISRIRRW-LLVKDONJSA-N 1 0 308.386 0.909 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001022055827 658794374 /nfs/dbraw/zinc/79/43/74/658794374.db2.gz VUMWFXGDGYBPIA-DTORHVGOSA-N 1 0 319.325 0.102 20 5 DCBDRO C[C@]1(NC(=O)CCn2cc([N+](=O)[O-])cn2)C[NH+]2CCC1CC2 ZINC000892788436 659457789 /nfs/dbraw/zinc/45/77/89/659457789.db2.gz CFDGBLANSLGAFC-AWEZNQCLSA-N 1 0 307.354 0.782 20 5 DCBDRO Cc1cncc(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001025776093 659557518 /nfs/dbraw/zinc/55/75/18/659557518.db2.gz XGTJFQAURWSZBB-QMIVOQANSA-N 1 0 316.361 0.602 20 5 DCBDRO CN(C(=O)NCCn1cc([N+](=O)[O-])cn1)[C@H]1CCC[N@H+](C)C1 ZINC000893753752 661404706 /nfs/dbraw/zinc/40/47/06/661404706.db2.gz TWQIDVMNZHESRS-NSHDSACASA-N 1 0 310.358 0.527 20 5 DCBDRO Cc1nn(C)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983653075 661998971 /nfs/dbraw/zinc/99/89/71/661998971.db2.gz GIPZZPHUDIUNSC-FMKGYKFTSA-N 1 0 321.381 0.378 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1C[C@H]2CC[C@@H](C1)N2Cc1ccccn1 ZINC001029305393 662098568 /nfs/dbraw/zinc/09/85/68/662098568.db2.gz XWIAOLSBNXSXEN-LXTVHRRPSA-N 1 0 316.361 0.922 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000041030171 663057439 /nfs/dbraw/zinc/05/74/39/663057439.db2.gz HPOWAHSIVSHLKF-VIFPVBQESA-N 1 0 314.367 0.430 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000899735073 663184010 /nfs/dbraw/zinc/18/40/10/663184010.db2.gz VUFKDBIADISREO-UHFFFAOYSA-N 1 0 301.730 0.902 20 5 DCBDRO C[C@@H](C(=O)NCC[N@H+](C)CCO)c1ccc([N+](=O)[O-])cc1F ZINC000899738189 663185312 /nfs/dbraw/zinc/18/53/12/663185312.db2.gz WJWWEOOBOZYUFE-SNVBAGLBSA-N 1 0 313.329 0.878 20 5 DCBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@H+](C)CCN1C ZINC000900804463 663281951 /nfs/dbraw/zinc/28/19/51/663281951.db2.gz MWYCTIKINDYQGF-IUODEOHRSA-N 1 0 320.393 0.888 20 5 DCBDRO Cn1cc(CN2CC[NH2+]CCC23CCOCC3)c([N+](=O)[O-])n1 ZINC000903820069 663487475 /nfs/dbraw/zinc/48/74/75/663487475.db2.gz SJAYCBUINREXIN-UHFFFAOYSA-N 1 0 309.370 0.673 20 5 DCBDRO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CCC[NH2+]CC1 ZINC000911656487 664099113 /nfs/dbraw/zinc/09/91/13/664099113.db2.gz OBQAJXKTMRALRV-CQSZACIVSA-N 1 0 318.333 0.910 20 5 DCBDRO CN1CCN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000911879293 664118744 /nfs/dbraw/zinc/11/87/44/664118744.db2.gz LKRPDDPBQTWIDJ-CYBMUJFWSA-N 1 0 324.356 0.768 20 5 DCBDRO CN1CC[NH2+]C[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000912113669 664141682 /nfs/dbraw/zinc/14/16/82/664141682.db2.gz PXXJLEHOLBVCRJ-ZDUSSCGKSA-N 1 0 307.354 0.027 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@H+](C)CCO ZINC000912604740 664192328 /nfs/dbraw/zinc/19/23/28/664192328.db2.gz NRJYMDIBFYSHPF-UHFFFAOYSA-N 1 0 311.338 0.600 20 5 DCBDRO Cc1noc(CCC[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001031661937 665273466 /nfs/dbraw/zinc/27/34/66/665273466.db2.gz NMAHVEHXZVKHIJ-VXGBXAGGSA-N 1 0 323.353 0.024 20 5 DCBDRO Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997773042 665336335 /nfs/dbraw/zinc/33/63/35/665336335.db2.gz RBSHVNISHKGHQT-ZIAGYGMSSA-N 1 0 322.365 0.976 20 5 DCBDRO Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997770787 665336600 /nfs/dbraw/zinc/33/66/00/665336600.db2.gz YUHAXHYMNLCRPM-DGCLKSJQSA-N 1 0 323.353 0.371 20 5 DCBDRO CN1CCOC[C@@]1(CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000922534145 666476937 /nfs/dbraw/zinc/47/69/37/666476937.db2.gz VJWXXTZIICXVMJ-AWEZNQCLSA-N 1 0 313.329 0.517 20 5 DCBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000861344914 666920216 /nfs/dbraw/zinc/92/02/16/666920216.db2.gz VVOOCRLFQMILIE-WCQYABFASA-N 1 0 312.326 0.444 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc(F)c([N+](=O)[O-])cc1CO ZINC000865535059 667330382 /nfs/dbraw/zinc/33/03/82/667330382.db2.gz OGQTWNQKMVFMRO-NSHDSACASA-N 1 0 312.345 0.884 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC000865706400 667340638 /nfs/dbraw/zinc/34/06/38/667340638.db2.gz VCTXRFDUDPGARB-LBPRGKRZSA-N 1 0 324.356 0.638 20 5 DCBDRO C[NH2+]CCN(C)S(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1F ZINC000866759537 667394644 /nfs/dbraw/zinc/39/46/44/667394644.db2.gz FVRMIOKHGILRDO-UHFFFAOYSA-N 1 0 305.331 0.882 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000923365659 667517128 /nfs/dbraw/zinc/51/71/28/667517128.db2.gz UAVTYCKIJPAFEN-RBSFLKMASA-N 1 0 323.397 0.759 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923362343 667519386 /nfs/dbraw/zinc/51/93/86/667519386.db2.gz WZSCGXIJRXZCIZ-DYEKYZERSA-N 1 0 307.350 0.628 20 5 DCBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+][C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000923522243 667555272 /nfs/dbraw/zinc/55/52/72/667555272.db2.gz YDCBWYNJBHHHRH-OLZOCXBDSA-N 1 0 311.363 0.166 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(Cn3nccc3[N+](=O)[O-])CC2)C1 ZINC000738209508 667661080 /nfs/dbraw/zinc/66/10/80/667661080.db2.gz CECAGZRNRWSRPF-CYBMUJFWSA-N 1 0 308.386 0.461 20 5 DCBDRO C[C@H](CN1CCOCC1)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000749674312 667960154 /nfs/dbraw/zinc/96/01/54/667960154.db2.gz HTAMQYGRMWWQRA-DOMZBBRYSA-N 1 0 309.366 0.939 20 5 DCBDRO COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839531012 667997312 /nfs/dbraw/zinc/99/73/12/667997312.db2.gz GUWQHDFNPRTAGM-VXGBXAGGSA-N 1 0 313.354 0.043 20 5 DCBDRO C[NH+](C)C[C@H](N)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000876874158 668525592 /nfs/dbraw/zinc/52/55/92/668525592.db2.gz BPPJIZDPCXHCCO-AWEZNQCLSA-N 1 0 306.366 0.975 20 5 DCBDRO O=C1CC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CCN12 ZINC000766273138 668530379 /nfs/dbraw/zinc/53/03/79/668530379.db2.gz VEIJEBPZFYEGEU-KGLIPLIRSA-N 1 0 305.334 0.935 20 5 DCBDRO COC(=O)C[C@@]1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000767033096 668556937 /nfs/dbraw/zinc/55/69/37/668556937.db2.gz SPFPUCYPWCUBFB-HIFRSBDPSA-N 1 0 324.333 0.940 20 5 DCBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000930207088 668977174 /nfs/dbraw/zinc/97/71/74/668977174.db2.gz CUQAXECGMWIDED-JTQLQIEISA-N 1 0 301.368 0.864 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)n1 ZINC000879930878 669127413 /nfs/dbraw/zinc/12/74/13/669127413.db2.gz ILJNAHFTNYNVJU-QWRGUYRKSA-N 1 0 314.367 0.158 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000932298604 669344007 /nfs/dbraw/zinc/34/40/07/669344007.db2.gz NMFOWQYFAFPDSW-LBPRGKRZSA-N 1 0 307.354 0.700 20 5 DCBDRO Cn1cc(CN2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000883441769 669688303 /nfs/dbraw/zinc/68/83/03/669688303.db2.gz XCUQKWVYQYIAQA-CBAPKCEASA-N 1 0 307.276 0.897 20 5 DCBDRO O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc([N+](=O)[O-])n[nH]1 ZINC000796430480 669931054 /nfs/dbraw/zinc/93/10/54/669931054.db2.gz KOPMNVSZGRIFSQ-NSHDSACASA-N 1 0 323.353 0.691 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOC2(CC[NH+](CC3CC3)CC2)C1 ZINC000949091993 670257762 /nfs/dbraw/zinc/25/77/62/670257762.db2.gz LTHZTTMARAEYJA-ZIAGYGMSSA-N 1 0 323.393 0.755 20 5 DCBDRO COCCN1CC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000809733010 670459910 /nfs/dbraw/zinc/45/99/10/670459910.db2.gz OKACFPTZIQQGHD-UKRRQHHQSA-N 1 0 309.366 0.939 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000818008294 670961761 /nfs/dbraw/zinc/96/17/61/670961761.db2.gz RWHSCMMDVBVPQQ-NSHDSACASA-N 1 0 308.338 0.379 20 5 DCBDRO CCS(=O)(=O)NCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818955371 671079981 /nfs/dbraw/zinc/07/99/81/671079981.db2.gz TZTRYLZMAIGEDV-GFCCVEGCSA-N 1 0 317.367 0.157 20 5 DCBDRO CCS(=O)(=O)NCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818955372 671080049 /nfs/dbraw/zinc/08/00/49/671080049.db2.gz TZTRYLZMAIGEDV-LBPRGKRZSA-N 1 0 317.367 0.157 20 5 DCBDRO O=C1CCC(=O)N1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819023274 671086179 /nfs/dbraw/zinc/08/61/79/671086179.db2.gz LCQHDIOLNOBXAB-ZDUSSCGKSA-N 1 0 321.333 0.757 20 5 DCBDRO C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000819190106 671101744 /nfs/dbraw/zinc/10/17/44/671101744.db2.gz DTDGPTQOMMYLRU-BXKDBHETSA-N 1 0 302.352 0.651 20 5 DCBDRO CN(C)S(=O)(=O)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819324983 671111856 /nfs/dbraw/zinc/11/18/56/671111856.db2.gz UXGBERFWAKSTDK-LBPRGKRZSA-N 1 0 317.367 0.109 20 5 DCBDRO Cn1ncc(CCC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000819330837 671111947 /nfs/dbraw/zinc/11/19/47/671111947.db2.gz FVOOWJJOKMMGGL-CQSZACIVSA-N 1 0 305.338 0.979 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000819372393 671114992 /nfs/dbraw/zinc/11/49/92/671114992.db2.gz BAFXWOCESWTUNF-DGCLKSJQSA-N 1 0 318.337 0.609 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000825763670 671471493 /nfs/dbraw/zinc/47/14/93/671471493.db2.gz AQTZKBUKWCMVBM-TZMCWYRMSA-N 1 0 323.349 0.465 20 5 DCBDRO O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000830553428 671632133 /nfs/dbraw/zinc/63/21/33/671632133.db2.gz IEKMUNUONVJSEP-AWEZNQCLSA-N 1 0 322.296 0.908 20 5 DCBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000833336561 671747200 /nfs/dbraw/zinc/74/72/00/671747200.db2.gz FOOUOSQLBLFPCR-FPMFFAJLSA-N 1 0 305.334 0.791 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H](CO)[C@@H]2CCOC2)cc1 ZINC000843110089 672062413 /nfs/dbraw/zinc/06/24/13/672062413.db2.gz BDIRVPSNNUQLJJ-UMVBOHGHSA-N 1 0 310.350 0.863 20 5 DCBDRO C[NH+](C)CC1CN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000867324082 672074285 /nfs/dbraw/zinc/07/42/85/672074285.db2.gz OWJQKPJFVFOGCC-UHFFFAOYSA-N 1 0 305.381 0.838 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843339276 672084944 /nfs/dbraw/zinc/08/49/44/672084944.db2.gz ZQKLGFCJIRILDN-UHFFFAOYSA-N 1 0 307.354 0.154 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)c1cn[nH]n1 ZINC001020341042 693774127 /nfs/dbraw/zinc/77/41/27/693774127.db2.gz KFTCDLOVKQBONN-KYZUINATSA-N 1 0 322.350 0.825 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001543079066 1159817621 /nfs/dbraw/zinc/81/76/21/1159817621.db2.gz HYPFABRPTUPUFG-GFCCVEGCSA-N 1 0 300.403 0.574 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC12CC[NH2+]CC2 ZINC001574194098 1163659228 /nfs/dbraw/zinc/65/92/28/1163659228.db2.gz WGXXUXTZODEQOT-UHFFFAOYSA-N 1 0 307.354 0.844 20 5 DCBDRO CC(C)(C(=O)NCC1([NH3+])CCOCC1)n1cc([N+](=O)[O-])cn1 ZINC001575090414 1163890406 /nfs/dbraw/zinc/89/04/06/1163890406.db2.gz UCMOVZCGRWYCLD-UHFFFAOYSA-N 1 0 311.342 0.151 20 5 DCBDRO CCN1C[C@@H](NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1=O ZINC001577759576 1164784546 /nfs/dbraw/zinc/78/45/46/1164784546.db2.gz HNNGBOWTVUOVAG-NHYWBVRUSA-N 1 0 320.349 0.506 20 5 DCBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)CN1CC[NH2+]CC1 ZINC001578481200 1165031615 /nfs/dbraw/zinc/03/16/15/1165031615.db2.gz SRSQSXNNSGKRDO-UHFFFAOYSA-N 1 0 306.366 0.501 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001578646317 1165075690 /nfs/dbraw/zinc/07/56/90/1165075690.db2.gz CVNJTWQZWXZXQR-QMMMGPOBSA-N 1 0 315.301 0.395 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001578989257 1165180419 /nfs/dbraw/zinc/18/04/19/1165180419.db2.gz NGYSDBSWQISAAX-CHWSQXEVSA-N 1 0 309.322 0.075 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001579013390 1165188751 /nfs/dbraw/zinc/18/87/51/1165188751.db2.gz YTQQEWLQSPZWIG-HUUCEWRRSA-N 1 0 309.366 0.939 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NC[C@]2(C)C[NH2+]CCO2)c1 ZINC001579242138 1165248009 /nfs/dbraw/zinc/24/80/09/1165248009.db2.gz KAOOOYWFHFAMDR-AWEZNQCLSA-N 1 0 309.322 0.712 20 5 DCBDRO Cc1nn(CCC(=O)N(C2CC2)C2C[NH2+]C2)c(C)c1[N+](=O)[O-] ZINC001579895706 1165427626 /nfs/dbraw/zinc/42/76/26/1165427626.db2.gz RAAANSCNMYAPBA-UHFFFAOYSA-N 1 0 307.354 0.761 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC001580667573 1165680958 /nfs/dbraw/zinc/68/09/58/1165680958.db2.gz WTHQJWQIFSRRGP-SNVBAGLBSA-N 1 0 323.305 0.432 20 5 DCBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001589887245 1166709117 /nfs/dbraw/zinc/70/91/17/1166709117.db2.gz PWOSHGDUUMZIQR-DTWKUNHWSA-N 1 0 306.326 0.881 20 5 DCBDRO CC1(C)CN(c2cccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[NH2+]1 ZINC001590107786 1166775914 /nfs/dbraw/zinc/77/59/14/1166775914.db2.gz DYFZKOZLOJGOEY-UHFFFAOYSA-N 1 0 303.326 0.963 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001593482741 1167867056 /nfs/dbraw/zinc/86/70/56/1167867056.db2.gz RDJMLFINKKIVBE-AOOOYVTPSA-N 1 0 316.321 0.853 20 5 DCBDRO CCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CC(=O)N(C)C1=O ZINC001617473753 1171388434 /nfs/dbraw/zinc/38/84/34/1171388434.db2.gz KDRVYNSDLQOSBI-LLVKDONJSA-N 1 0 323.353 0.569 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)n1 ZINC001618102455 1171394606 /nfs/dbraw/zinc/39/46/06/1171394606.db2.gz ZJPBCMRIFMVJLJ-MNOVXSKESA-N 1 0 324.385 0.175 20 5 DCBDRO Nc1c(C(=O)NCC[NH+]2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC001627744553 1171512580 /nfs/dbraw/zinc/51/25/80/1171512580.db2.gz SHBCAYGESFOQCP-UHFFFAOYSA-N 1 0 308.338 0.364 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001636885132 1171752123 /nfs/dbraw/zinc/75/21/23/1171752123.db2.gz ULHXNGZXAFGDEB-VXGBXAGGSA-N 1 0 308.338 0.594 20 5 DCBDRO C[C@@H]1CO[C@@H](C)CN1CCNC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001640239947 1171871933 /nfs/dbraw/zinc/87/19/33/1171871933.db2.gz MMYVGOTUSNFVGB-ZJUUUORDSA-N 1 0 323.353 0.411 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC001644123640 1171997394 /nfs/dbraw/zinc/99/73/94/1171997394.db2.gz KMFKZFQHDSWAFN-UKRRQHHQSA-N 1 0 323.349 0.153 20 5 DCBDRO CC(C)(C)OC(=O)N1CCC[C@@](CO)([NH2+]CC[N+](=O)[O-])C1 ZINC001644518714 1172010153 /nfs/dbraw/zinc/01/01/53/1172010153.db2.gz OFIQTGZLTBIYDJ-CYBMUJFWSA-N 1 0 303.359 0.615 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC001644751358 1172021231 /nfs/dbraw/zinc/02/12/31/1172021231.db2.gz VRFKRAHWWSKOQB-UHFFFAOYSA-N 1 0 311.338 0.404 20 5 DCBDRO CC[N@@H+]1C[C@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C(C)(C)C1 ZINC001645342179 1172038149 /nfs/dbraw/zinc/03/81/49/1172038149.db2.gz XGUMCYYCALZPPM-LBPRGKRZSA-N 1 0 322.365 0.603 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@@H](CO)[C@H](CCO)C2)cc1 ZINC001648634897 1173077588 /nfs/dbraw/zinc/07/75/88/1173077588.db2.gz KSSICFLYQUBPLM-VNHYZAJKSA-N 1 0 310.350 0.551 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC001651383831 1173748282 /nfs/dbraw/zinc/74/82/82/1173748282.db2.gz PFQVKJOZUFMSBD-GHMZBOCLSA-N 1 0 305.338 0.762 20 5 DCBDRO CCO[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N)C[NH+](C)C ZINC001651555897 1173750763 /nfs/dbraw/zinc/75/07/63/1173750763.db2.gz RKUPCVLRVMZCCS-NSHDSACASA-N 1 0 310.354 0.874 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001652642692 1173773728 /nfs/dbraw/zinc/77/37/28/1173773728.db2.gz QOKVPUOHUMTIEB-NSHDSACASA-N 1 0 323.353 0.311 20 5 DCBDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001654291698 1173804140 /nfs/dbraw/zinc/80/41/40/1173804140.db2.gz ZPRQWNUGSMGGDE-ZFWWWQNUSA-N 1 0 323.349 0.741 20 5 DCBDRO CC[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@H]1CCCOC1 ZINC001655427402 1173818782 /nfs/dbraw/zinc/81/87/82/1173818782.db2.gz LUJOMWXTZWTIGQ-UBHSHLNASA-N 1 0 312.370 0.947 20 5 DCBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](c3nn[nH]n3)C2)cc1 ZINC001655439171 1173820599 /nfs/dbraw/zinc/82/05/99/1173820599.db2.gz IWMRTFZNDIULIQ-SNVBAGLBSA-N 1 0 304.310 0.976 20 5 DCBDRO O=[N+]([O-])c1ncccc1NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001655953390 1173831566 /nfs/dbraw/zinc/83/15/66/1173831566.db2.gz TUARETPQVCVZKZ-SMDDNHRTSA-N 1 0 308.338 0.627 20 5 DCBDRO NC(=O)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001656125638 1173843618 /nfs/dbraw/zinc/84/36/18/1173843618.db2.gz KCTXTPIRAQSKCB-TXEJJXNPSA-N 1 0 320.349 0.455 20 5 DCBDRO CC[N@H+](C)[C@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001657489820 1173912313 /nfs/dbraw/zinc/91/23/13/1173912313.db2.gz WLKPSWAMFUXYBT-JTQLQIEISA-N 1 0 314.367 0.705 20 5 DCBDRO C[NH+](C)C1CN(C(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001664885647 1174469417 /nfs/dbraw/zinc/46/94/17/1174469417.db2.gz RPLZFAJOLIGARQ-UHFFFAOYSA-N 1 0 307.310 0.471 20 5 DCBDRO CN1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cn2)C(C)(C)C1 ZINC001671961199 1175047639 /nfs/dbraw/zinc/04/76/39/1175047639.db2.gz YYYMDBJQBIHCIF-JTQLQIEISA-N 1 0 314.367 0.608 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cncs1 ZINC001713575255 1180932421 /nfs/dbraw/zinc/93/24/21/1180932421.db2.gz BQQIABHNUXYWOV-UHFFFAOYSA-N 1 0 324.366 0.647 20 5 DCBDRO COc1cccc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001714536481 1181406721 /nfs/dbraw/zinc/40/67/21/1181406721.db2.gz PTVQGFLYDLHCBQ-ZIAGYGMSSA-N 1 0 307.350 0.908 20 5 DCBDRO C[N@H+](CCCO)CCC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001715480297 1181823290 /nfs/dbraw/zinc/82/32/90/1181823290.db2.gz AYDTYYKJLVZDMD-ZIAGYGMSSA-N 1 0 313.398 0.595 20 5 DCBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cc[nH]c1 ZINC001716543681 1182434744 /nfs/dbraw/zinc/43/47/44/1182434744.db2.gz WGMSIVHZBKNGTL-UHFFFAOYSA-N 1 0 320.353 0.908 20 5 DCBDRO O=C(NCC1([NH2+]CCn2cccn2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001717149933 1182697278 /nfs/dbraw/zinc/69/72/78/1182697278.db2.gz HXMMGIBUICELIU-VXGBXAGGSA-N 1 0 307.354 0.177 20 5 DCBDRO Cc1ncc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001732850409 1186012652 /nfs/dbraw/zinc/01/26/52/1186012652.db2.gz IAKYXTQAQFZYOJ-LLGAQUFESA-N 1 0 305.338 0.212 20 5 DCBDRO NC(=O)C(=O)NCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001752277948 1188410901 /nfs/dbraw/zinc/41/09/01/1188410901.db2.gz KUIANXHEBKYKCJ-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)CC(N)=O ZINC001754363379 1188832296 /nfs/dbraw/zinc/83/22/96/1188832296.db2.gz XTDRPVYDIHFPLC-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(N)n1 ZINC001164925630 721868701 /nfs/dbraw/zinc/86/87/01/721868701.db2.gz OXGWENSKAFTQDB-VXGBXAGGSA-N 1 0 320.397 0.787 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1ccc(C[NH3+])cc1=N ZINC001167693414 747698250 /nfs/dbraw/zinc/69/82/50/747698250.db2.gz MESDXZHHPINPMM-UHFFFAOYSA-N 1 0 303.278 0.505 20 5 DCBDRO Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(F)F)n1 ZINC001126936669 750149659 /nfs/dbraw/zinc/14/96/59/750149659.db2.gz PYPIVGGUYLWCFD-RKDXNWHRSA-N 1 0 317.296 0.229 20 5 DCBDRO O=C(C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Nc1cccc(F)c1 ZINC001126942744 750156181 /nfs/dbraw/zinc/15/61/81/750156181.db2.gz GKXQUHSIBZMRAL-VXGBXAGGSA-N 1 0 324.312 0.135 20 5 DCBDRO O=C(NCC[NH2+]CCOc1cccc(F)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126943724 750156658 /nfs/dbraw/zinc/15/66/58/750156658.db2.gz VTVPPFUHJQSBHY-CHWSQXEVSA-N 1 0 311.313 0.576 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1=COCCO1 ZINC001123019237 751217844 /nfs/dbraw/zinc/21/78/44/751217844.db2.gz ABCZEUHWBRUEAQ-UHFFFAOYSA-N 1 0 307.306 0.689 20 5 DCBDRO CN(c1ccc2nsnc2c1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001164297089 756715152 /nfs/dbraw/zinc/71/51/52/756715152.db2.gz JXWUGQGHDRWGGU-UHFFFAOYSA-N 1 0 317.352 0.324 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cn1)[C@@H]1C[N@H+](C)CCN1C ZINC000823784652 758272686 /nfs/dbraw/zinc/27/26/86/758272686.db2.gz OFMGAWUKSYROII-MFKMUULPSA-N 1 0 307.354 0.354 20 5 DCBDRO O=C(NC[C@H]1C[C@H]([NH2+]Cc2cccnc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001086363171 760101342 /nfs/dbraw/zinc/10/13/42/760101342.db2.gz GBSXDHKPVFWHLW-AAVRWANBSA-N 1 0 304.350 0.731 20 5 DCBDRO Cc1ncn(-c2c[n+]([O-])ccc2[N+](=O)[O-])c1CSCC[NH3+] ZINC001168790516 760416996 /nfs/dbraw/zinc/41/69/96/760416996.db2.gz NBGUEMSLCZUIBV-UHFFFAOYSA-N 1 0 309.351 0.914 20 5 DCBDRO [NH3+][C@@H]1CCc2nn(-c3c[n+]([O-])c(Cl)cc3[N+](=O)[O-])cc2C1 ZINC001168809999 760465269 /nfs/dbraw/zinc/46/52/69/760465269.db2.gz XYMBLUWSVIKRQW-MRVPVSSYSA-N 1 0 309.713 0.883 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCCC2)C1 ZINC001168978793 760528150 /nfs/dbraw/zinc/52/81/50/760528150.db2.gz UHIVCWTWNXZCML-RYUDHWBXSA-N 1 0 305.400 0.447 20 5 DCBDRO CC(=O)N[C@@H](CCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168977379 760528189 /nfs/dbraw/zinc/52/81/89/760528189.db2.gz BCQWTHPOTJEKSH-AVGNSLFASA-N 1 0 314.386 0.182 20 5 DCBDRO O=C(NCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)N1CCOCC1 ZINC001168973877 760535260 /nfs/dbraw/zinc/53/52/60/760535260.db2.gz PBLLWTABNFOZOL-VXGBXAGGSA-N 1 0 300.359 0.063 20 5 DCBDRO COC(=O)c1cc(C)nc(-n2nc(CC[NH3+])nc2C)c1[N+](=O)[O-] ZINC001168986300 760544941 /nfs/dbraw/zinc/54/49/41/760544941.db2.gz RRLSFXJQDLLPRZ-UHFFFAOYSA-N 1 0 320.309 0.475 20 5 DCBDRO O=C1CC2(CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC(=O)N1 ZINC001169039591 760555857 /nfs/dbraw/zinc/55/58/57/760555857.db2.gz REDMUPXYGJRZBY-RYUDHWBXSA-N 1 0 309.366 0.951 20 5 DCBDRO CC(C)NC(=O)CN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169022497 760560636 /nfs/dbraw/zinc/56/06/36/760560636.db2.gz CFUVGHWPSDQQEU-UONOGXRCSA-N 1 0 312.414 0.574 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NCc2ncn3c2C[NH2+]CCC3)n1 ZINC001169241442 760611812 /nfs/dbraw/zinc/61/18/12/760611812.db2.gz UOEGCWMREWCMLV-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1cn[nH]c(=O)c1 ZINC001129992599 763082581 /nfs/dbraw/zinc/08/25/81/763082581.db2.gz MTBRAACYIGDTHF-UHFFFAOYSA-N 1 0 323.334 0.672 20 5 DCBDRO CCOC(=O)C1C[NH2+]CCC1=Nc1nccc(N)c1[N+](=O)[O-] ZINC001170515034 763500419 /nfs/dbraw/zinc/50/04/19/763500419.db2.gz GHOVQHGBDGYZEN-UHFFFAOYSA-N 1 0 307.310 0.794 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1c[nH]c(=O)cn1 ZINC001133013487 764793889 /nfs/dbraw/zinc/79/38/89/764793889.db2.gz LGHZWOKMXUUPQE-UHFFFAOYSA-N 1 0 317.305 0.198 20 5 DCBDRO COc1nc(SC)nc(N[C@@H]2C[NH2+]C[C@H]2CO)c1[N+](=O)[O-] ZINC001170779910 765731747 /nfs/dbraw/zinc/73/17/47/765731747.db2.gz ZBEVNEWGODDSAI-NKWVEPMBSA-N 1 0 315.355 0.108 20 5 DCBDRO CCn1cc(C(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])nn1 ZINC001135994532 766201797 /nfs/dbraw/zinc/20/17/97/766201797.db2.gz YSZIQONUGNIJKU-UHFFFAOYSA-N 1 0 318.337 0.726 20 5 DCBDRO NC(=O)C1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC001118502208 766335840 /nfs/dbraw/zinc/33/58/40/766335840.db2.gz SOBYIBNCUDQRII-GFCCVEGCSA-N 1 0 309.322 0.252 20 5 DCBDRO Cc1c(C(=O)NOC[C@@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC001122022022 767698933 /nfs/dbraw/zinc/69/89/33/767698933.db2.gz JBCXQNCJVOSRBG-MRVPVSSYSA-N 1 0 320.309 0.493 20 5 DCBDRO Cc1c(C(=O)NOC[C@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC001122022024 767698981 /nfs/dbraw/zinc/69/89/81/767698981.db2.gz JBCXQNCJVOSRBG-QMMMGPOBSA-N 1 0 320.309 0.493 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-] ZINC001122333383 767773387 /nfs/dbraw/zinc/77/33/87/767773387.db2.gz YPRGZQWFYIEQIY-GFCCVEGCSA-N 1 0 322.365 0.478 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001137732868 768389572 /nfs/dbraw/zinc/38/95/72/768389572.db2.gz SIQWITCANWRIJB-JSGCOSHPSA-N 1 0 311.338 0.057 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001093193617 768484313 /nfs/dbraw/zinc/48/43/13/768484313.db2.gz RNXKXOSQWIGTJD-UHFFFAOYSA-N 1 0 321.381 0.899 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])cnc3N)CC[C@H]21 ZINC001171814597 769383171 /nfs/dbraw/zinc/38/31/71/769383171.db2.gz KHFHIZLMXDNCOI-JOYOIKCWSA-N 1 0 305.338 0.738 20 5 DCBDRO CSCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001154424607 770175680 /nfs/dbraw/zinc/17/56/80/770175680.db2.gz HERDFGIAFZFIIN-UHFFFAOYSA-N 1 0 301.372 0.287 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1nccc2cc([N+](=O)[O-])ccc21 ZINC001154772555 770292312 /nfs/dbraw/zinc/29/23/12/770292312.db2.gz AQVPPDJCASIOGO-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO COc1cc(N2CCC[C@@H](N3CC(C[NH3+])C3)C2)ncc1[N+](=O)[O-] ZINC001155371538 770479541 /nfs/dbraw/zinc/47/95/41/770479541.db2.gz AUYXAGJFIGVKNB-GFCCVEGCSA-N 1 0 321.381 0.858 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)c([N+](=O)[O-])c1 ZINC001155483087 770519370 /nfs/dbraw/zinc/51/93/70/770519370.db2.gz OCVSVWRAAURMLN-BCMRRPTOSA-N 1 0 309.282 0.544 20 5 DCBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1CCC[C@@H]2C[C@@H]21 ZINC001157133196 771543374 /nfs/dbraw/zinc/54/33/74/771543374.db2.gz QSHXQRFLVVLAHJ-MNOVXSKESA-N 1 0 304.354 0.783 20 5 DCBDRO CCc1noc(C)c1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761574 771665139 /nfs/dbraw/zinc/66/51/39/771665139.db2.gz SBPADNKBNHUREZ-ZWNOBZJWSA-N 1 0 310.354 0.807 20 5 DCBDRO CCc1nc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cs1 ZINC001157775666 771670746 /nfs/dbraw/zinc/67/07/46/771670746.db2.gz VJXGECKKGJJDTJ-GHMZBOCLSA-N 1 0 312.395 0.967 20 5 DCBDRO Cc1nc(CC[NH3+])nn1-c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1 ZINC001158132735 771729489 /nfs/dbraw/zinc/72/94/89/771729489.db2.gz PULJEVPWZNKFLP-FNORWQNLSA-N 1 0 317.353 0.912 20 5 DCBDRO [NH3+][C@@H]1CCN(C2CCN(c3cc([N+](=O)[O-])cc[n+]3[O-])CC2)C1 ZINC001158258975 771747933 /nfs/dbraw/zinc/74/79/33/771747933.db2.gz NBLFHQVLJDZYQU-LLVKDONJSA-N 1 0 307.354 0.230 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@H](O)C(F)(F)F)nc1C1C[NH2+]C1 ZINC001158544244 771787945 /nfs/dbraw/zinc/78/79/45/771787945.db2.gz ODTXSALGACOJLI-ZETCQYMHSA-N 1 0 307.232 0.407 20 5 DCBDRO CN(c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC001158570279 771791462 /nfs/dbraw/zinc/79/14/62/771791462.db2.gz URDZXEKDMSWZOH-JTQLQIEISA-N 1 0 308.342 0.020 20 5 DCBDRO O=[N+]([O-])c1c(N[C@H]2CCCOC2)ncnc1N1CC[NH2+]CC1 ZINC001158709705 771811156 /nfs/dbraw/zinc/81/11/56/771811156.db2.gz GRJVERTYMBIAPJ-JTQLQIEISA-N 1 0 308.342 0.385 20 5 DCBDRO O=[N+]([O-])c1cnc(NCc2ncccc2O)nc1C1C[NH2+]C1 ZINC001158776400 771820864 /nfs/dbraw/zinc/82/08/64/771820864.db2.gz VXJGWXSHRVLUNL-UHFFFAOYSA-N 1 0 302.294 0.784 20 5 DCBDRO CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc([N+](=O)[O-])cn2)CC1 ZINC001158789418 771821779 /nfs/dbraw/zinc/82/17/79/771821779.db2.gz LTTTZXNOBLTVJS-UHFFFAOYSA-N 1 0 322.365 0.955 20 5 DCBDRO COc1nc(N2CCC3(C[NH2+]C3)CC2)nc(OC)c1[N+](=O)[O-] ZINC001159042463 771851035 /nfs/dbraw/zinc/85/10/35/771851035.db2.gz VQCDOPPGTODUQN-UHFFFAOYSA-N 1 0 309.326 0.592 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NCCOCCOCC[NH3+])n1 ZINC001159445053 771911432 /nfs/dbraw/zinc/91/14/32/771911432.db2.gz TVBRTBCAERUBTM-UHFFFAOYSA-N 1 0 319.749 0.750 20 5 DCBDRO CCOc1cnc(N(CC[NH3+])S(C)(=O)=O)c([N+](=O)[O-])c1 ZINC001162124145 772328908 /nfs/dbraw/zinc/32/89/08/772328908.db2.gz OUQGAZUZFCMPKG-UHFFFAOYSA-N 1 0 304.328 0.113 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1nccc(N)c1[N+](=O)[O-] ZINC001162532677 772387349 /nfs/dbraw/zinc/38/73/49/772387349.db2.gz IMFKSLWVCVJACR-UHFFFAOYSA-N 1 0 306.282 0.393 20 5 DCBDRO Cc1c[n+]([O-])c(NCc2nnn3c2C[NH2+]CCC3)cc1[N+](=O)[O-] ZINC001162973437 772438134 /nfs/dbraw/zinc/43/81/34/772438134.db2.gz TXPOTBMWFQJPAW-UHFFFAOYSA-N 1 0 319.325 0.234 20 5 DCBDRO C[C@@H](CNC(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1)[NH+](C)C ZINC001163006453 772442149 /nfs/dbraw/zinc/44/21/49/772442149.db2.gz HXGVMNBTRQNHIT-JTQLQIEISA-N 1 0 318.337 0.855 20 5 DCBDRO Cc1c[n+]([O-])c(NCC[C@H]2CCOC23C[NH2+]C3)cc1[N+](=O)[O-] ZINC001163083165 772457774 /nfs/dbraw/zinc/45/77/74/772457774.db2.gz XTXGDBLKSUEUQJ-NSHDSACASA-N 1 0 308.338 0.717 20 5 DCBDRO COc1nc(C)nc(NC[C@]23C[NH2+]C[C@H]2COC3)c1[N+](=O)[O-] ZINC001163148024 772471948 /nfs/dbraw/zinc/47/19/48/772471948.db2.gz YRIWEHLKOQKJDV-ZANVPECISA-N 1 0 309.326 0.350 20 5 DCBDRO O=[N+]([O-])c1cc(NC[C@]23C[NH2+]C[C@H]2COC3)cn2cnnc12 ZINC001163158489 772474332 /nfs/dbraw/zinc/47/43/32/772474332.db2.gz LMZQKGZXOJQNNQ-ZANVPECISA-N 1 0 304.310 0.285 20 5 DCBDRO Cc1c(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001163250634 772491423 /nfs/dbraw/zinc/49/14/23/772491423.db2.gz OVSWSCMUJFDRLS-MFKMUULPSA-N 1 0 321.293 0.801 20 5 DCBDRO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cccc3ncc([N+](=O)[O-])n32)N1 ZINC001163252623 772492028 /nfs/dbraw/zinc/49/20/28/772492028.db2.gz ASTCSMNKHNZQHB-OQPBUACISA-N 1 0 302.294 0.233 20 5 DCBDRO CN1Cc2cc(N[C@]34CC[NH2+][C@H]3CC(=O)N4)cc([N+](=O)[O-])c2N1 ZINC001163254999 772494056 /nfs/dbraw/zinc/49/40/56/772494056.db2.gz RGIRPGKOVBZONK-FZMZJTMJSA-N 1 0 318.337 0.357 20 5 DCBDRO COc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc([N+](=O)[O-])c1C ZINC001163254936 772494240 /nfs/dbraw/zinc/49/42/40/772494240.db2.gz VQFYEYILWRXAOI-JSGCOSHPSA-N 1 0 306.322 0.902 20 5 DCBDRO CCOC(=O)c1cn(-c2ccc([N+](=O)[O-])c(OC)n2)nc1C[NH3+] ZINC001163520863 772533399 /nfs/dbraw/zinc/53/33/99/772533399.db2.gz UIYGQFKEKLFRSM-UHFFFAOYSA-N 1 0 321.293 0.820 20 5 DCBDRO CCOC(=O)c1cn(-c2ncnc(OC)c2[N+](=O)[O-])nc1C[NH3+] ZINC001163523673 772534989 /nfs/dbraw/zinc/53/49/89/772534989.db2.gz AZZZMBWTIKNRPG-UHFFFAOYSA-N 1 0 322.281 0.215 20 5 DCBDRO C[NH2+]C1CN(c2nc(Cl)nc(C(=O)OC)c2[N+](=O)[O-])C1 ZINC001163702144 772560269 /nfs/dbraw/zinc/56/02/69/772560269.db2.gz ZOODVKXCXZNLPR-UHFFFAOYSA-N 1 0 301.690 0.233 20 5 DCBDRO C[C@@H]1[C@H](CO)CCN1c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001164047928 772609033 /nfs/dbraw/zinc/60/90/33/772609033.db2.gz IEEIXCXYEPNBFH-MNOVXSKESA-N 1 0 322.369 0.002 20 5 DCBDRO O=C1NCCN(c2ccc3ccc([N+](=O)[O-])cc3n2)C12C[NH2+]C2 ZINC001165297390 772720035 /nfs/dbraw/zinc/72/00/35/772720035.db2.gz CXXOAEUZMOTWHT-UHFFFAOYSA-N 1 0 313.317 0.421 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)n1 ZINC001165343935 772725488 /nfs/dbraw/zinc/72/54/88/772725488.db2.gz MCVGLTWOEQXTEB-AWEZNQCLSA-N 1 0 323.353 0.279 20 5 DCBDRO O=[N+]([O-])c1ccnc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1 ZINC001165343874 772725656 /nfs/dbraw/zinc/72/56/56/772725656.db2.gz KQRJOIVXGUMCQB-CQSZACIVSA-N 1 0 308.338 0.575 20 5 DCBDRO CC(C)(O)C[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763497 772815286 /nfs/dbraw/zinc/81/52/86/772815286.db2.gz JZIAVZHXWMMJDJ-DGCLKSJQSA-N 1 0 324.381 0.998 20 5 DCBDRO CC(C)(O)C[C@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763494 772815312 /nfs/dbraw/zinc/81/53/12/772815312.db2.gz JZIAVZHXWMMJDJ-AAEUAGOBSA-N 1 0 324.381 0.998 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCn3cccc3C2)nc1C1C[NH2+]C1 ZINC001166603569 772828583 /nfs/dbraw/zinc/82/85/83/772828583.db2.gz FTHTWTJUMWTHEF-UHFFFAOYSA-N 1 0 300.322 0.893 20 5 DCBDRO COC(=O)C1(Nc2c(Cl)cncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166954465 772888602 /nfs/dbraw/zinc/88/86/02/772888602.db2.gz OXGWGQVSDXRTSW-UHFFFAOYSA-N 1 0 314.729 0.772 20 5 DCBDRO CS(=O)(=O)N(c1ncc(Cl)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC001166968251 772892574 /nfs/dbraw/zinc/89/25/74/772892574.db2.gz SPOSZACFDJWRCB-UHFFFAOYSA-N 1 0 306.731 0.381 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1 ZINC001193536842 773073973 /nfs/dbraw/zinc/07/39/73/773073973.db2.gz PXFOQLFZYMOLOM-CYBMUJFWSA-N 1 0 320.353 0.960 20 5 DCBDRO Nc1cc2nc3ccccc3nc2cc1NC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001218859000 774316554 /nfs/dbraw/zinc/31/65/54/774316554.db2.gz HSOZBLWRSZXREW-JDNHERCYSA-N 1 0 323.356 0.884 20 5 DCBDRO CN(CCCNC(=O)CC[NH+](C)C)c1ncccc1[N+](=O)[O-] ZINC001095732132 775597015 /nfs/dbraw/zinc/59/70/15/775597015.db2.gz MNUHXYSVSWRRNB-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001481229526 939655559 /nfs/dbraw/zinc/65/55/59/939655559.db2.gz RCITXUMKRISYKW-ZIAGYGMSSA-N 1 0 307.350 0.908 20 5 DCBDRO O=C(NCC1([NH2+]CC2CC(F)(F)C2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269411356 940701384 /nfs/dbraw/zinc/70/13/84/940701384.db2.gz CYXUZLMYAIGBFL-NXEZZACHSA-N 1 0 303.309 0.935 20 5 DCBDRO O=C(NC1(C[NH2+]CC2CCC2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001484862817 943605432 /nfs/dbraw/zinc/60/54/32/943605432.db2.gz RMGXOEZFVLYFQQ-CHWSQXEVSA-N 1 0 311.382 0.707 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@H](O)C[C@@H]3CO)CC2)cc1 ZINC001254468167 946395713 /nfs/dbraw/zinc/39/57/13/946395713.db2.gz GIYAKENUQXFYOK-HZPDHXFCSA-N 1 0 321.377 0.991 20 5 DCBDRO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001257454667 946735734 /nfs/dbraw/zinc/73/57/34/946735734.db2.gz SNSCAISCULEFIY-NSHDSACASA-N 1 0 322.365 0.667 20 5 DCBDRO NC(=O)c1ccnc(N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001324649634 947491040 /nfs/dbraw/zinc/49/10/40/947491040.db2.gz MNYGSRLDCYQAMQ-SNVBAGLBSA-N 1 0 305.338 0.763 20 5 DCBDRO COCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001324864817 947558060 /nfs/dbraw/zinc/55/80/60/947558060.db2.gz UXWGKHJKTKWFHF-CHWSQXEVSA-N 1 0 313.398 0.906 20 5 DCBDRO C[NH2+][C@H](C)CCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC001326048397 948033157 /nfs/dbraw/zinc/03/31/57/948033157.db2.gz SXIGUISLUOJKGQ-SNVBAGLBSA-N 1 0 318.337 0.903 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1CCOc1ccccc1[N+](=O)[O-] ZINC001326309822 948125710 /nfs/dbraw/zinc/12/57/10/948125710.db2.gz QWMLAIDZILHSON-ZDUSSCGKSA-N 1 0 323.349 0.811 20 5 DCBDRO CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001328352084 948848070 /nfs/dbraw/zinc/84/80/70/948848070.db2.gz SBEOLNQIAOALNA-UHFFFAOYSA-N 1 0 322.365 0.449 20 5 DCBDRO C[NH+](C)CCONC(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC001329295643 949486737 /nfs/dbraw/zinc/48/67/37/949486737.db2.gz ODCTYXOIQAJBAO-UHFFFAOYSA-N 1 0 311.294 0.589 20 5 DCBDRO O=[N+]([O-])c1ccc(Cc2noc([C@]34C[NH2+]C[C@H]3COC4)n2)nc1 ZINC001329613444 949719270 /nfs/dbraw/zinc/71/92/70/949719270.db2.gz XYOANTNXDALJCQ-XPTSAGLGSA-N 1 0 317.305 0.451 20 5 DCBDRO NC(=O)c1ccnc(N2CCC([NH2+]C3CC3)CC2)c1[N+](=O)[O-] ZINC001330043207 950083877 /nfs/dbraw/zinc/08/38/77/950083877.db2.gz YOLXPGGUBPGZML-UHFFFAOYSA-N 1 0 305.338 0.810 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001330593672 950533819 /nfs/dbraw/zinc/53/38/19/950533819.db2.gz ADCDSYWYOQRVSX-NWDGAFQWSA-N 1 0 323.353 0.319 20 5 DCBDRO O=C([C@@H]1[NH2+]C[C@@H]2C[C@@H]21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001330701444 950597730 /nfs/dbraw/zinc/59/77/30/950597730.db2.gz LHHXKGJLBPVLBN-XHVZSJERSA-N 1 0 305.338 0.563 20 5 DCBDRO O=C(NCC1([NH2+]Cc2ccns2)CCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001280480106 950896405 /nfs/dbraw/zinc/89/64/05/950896405.db2.gz BDGKNEXCLPCQOL-GHMZBOCLSA-N 1 0 310.379 0.937 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331836496 951350180 /nfs/dbraw/zinc/35/01/80/951350180.db2.gz WPFWPJNNSPXIPL-UHFFFAOYSA-N 1 0 320.349 0.505 20 5 DCBDRO [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001333615664 952115950 /nfs/dbraw/zinc/11/59/50/952115950.db2.gz URZMYARCPBHUHJ-RYUDHWBXSA-N 1 0 320.349 0.597 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001334655482 952370733 /nfs/dbraw/zinc/37/07/33/952370733.db2.gz AHNLQTYJDGPVFT-JTQLQIEISA-N 1 0 323.353 0.688 20 5 DCBDRO Cn1c(CCC[N+](=O)[O-])nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001338798532 953052969 /nfs/dbraw/zinc/05/29/69/953052969.db2.gz XSHRGQODBCLIGX-NEPJUHHUSA-N 1 0 308.386 0.555 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2cc[nH+]cc2)cc1 ZINC001339451482 953095633 /nfs/dbraw/zinc/09/56/33/953095633.db2.gz SOUKFUGMPXTABR-UHFFFAOYSA-N 1 0 322.346 0.802 20 5 DCBDRO Nc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC001339610136 953105825 /nfs/dbraw/zinc/10/58/25/953105825.db2.gz LSOQQMWEVIANBL-NSHDSACASA-N 1 0 307.354 0.731 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001341371158 953226580 /nfs/dbraw/zinc/22/65/80/953226580.db2.gz HSSVMKCQVBIUJU-UHFFFAOYSA-N 1 0 324.385 0.283 20 5 DCBDRO O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC001342720325 953303718 /nfs/dbraw/zinc/30/37/18/953303718.db2.gz IADIOCITDTYSMJ-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO Cc1ccc(CNC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)cc1[N+](=O)[O-] ZINC001348992778 954557869 /nfs/dbraw/zinc/55/78/69/954557869.db2.gz JSYALCJSXTVORZ-IUODEOHRSA-N 1 0 318.377 0.908 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)C1(O)CCOCC1)CC2 ZINC001354437807 956392596 /nfs/dbraw/zinc/39/25/96/956392596.db2.gz KWRWDHOVPKYJGA-OAHLLOKOSA-N 1 0 322.361 0.855 20 5 DCBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](CO)[C@H](CO)C1 ZINC001308021588 960163974 /nfs/dbraw/zinc/16/39/74/960163974.db2.gz NOJGLSXWVBZFKN-UTUOFQBUSA-N 1 0 323.349 0.454 20 5 DCBDRO Nc1ncc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC001464582166 1015924437 /nfs/dbraw/zinc/92/44/37/1015924437.db2.gz QGUHNMWLENNYGM-NSHDSACASA-N 1 0 305.338 0.882 20 5 DCBDRO Nc1ncc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC001451963543 1006531615 /nfs/dbraw/zinc/53/16/15/1006531615.db2.gz GJYUNBBLIOSZAT-LLVKDONJSA-N 1 0 323.353 0.149 20 5 DCBDRO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001520037880 1017243494 /nfs/dbraw/zinc/24/34/94/1017243494.db2.gz UTMHGMOEMWZJGW-WFASDCNBSA-N 1 0 318.377 0.642 20 5 DCBDRO CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001477127674 1017255486 /nfs/dbraw/zinc/25/54/86/1017255486.db2.gz OKEXEHQZZXVACR-SNVBAGLBSA-N 1 0 321.337 0.909 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N(C)CC[N@H+](C)CCO)n1 ZINC001458492149 1012195095 /nfs/dbraw/zinc/19/50/95/1012195095.db2.gz WKIMISJDMUCSPB-UHFFFAOYSA-N 1 0 312.326 0.137 20 5 DCBDRO Cc1cc(OCC(=O)NCC[N@H+](C)CCO)ccc1[N+](=O)[O-] ZINC001558358776 1012351554 /nfs/dbraw/zinc/35/15/54/1012351554.db2.gz DTLRGJAICLUATJ-UHFFFAOYSA-N 1 0 311.338 0.322 20 5 DCBDRO O=[N+]([O-])c1ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)cn1 ZINC001559304323 1012417230 /nfs/dbraw/zinc/41/72/30/1012417230.db2.gz SKCHWKIKQAWZRA-GXTWGEPZSA-N 1 0 308.338 0.627 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2C[C@@]3(CO)CCCC[C@@]3(CO)C2)c1 ZINC001460887035 1012984321 /nfs/dbraw/zinc/98/43/21/1012984321.db2.gz AZCRSIZXILIKNY-GASCZTMLSA-N 1 0 324.381 0.638 20 5 DCBDRO CC[C@H](C)[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000296769598 529697959 /nfs/dbraw/zinc/69/79/59/529697959.db2.gz CFQXOEFIKZAWBU-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000330706835 529887432 /nfs/dbraw/zinc/88/74/32/529887432.db2.gz LNLVUTBGCOHGFA-UHFFFAOYSA-N 1 0 309.370 0.632 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272621574 210023349 /nfs/dbraw/zinc/02/33/49/210023349.db2.gz LVYHSWNJCWETHO-WDEREUQCSA-N 1 0 307.354 0.803 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NCC[N@H+]1CC=CCC1 ZINC000279856466 215182945 /nfs/dbraw/zinc/18/29/45/215182945.db2.gz IQNWTLUZGGOMIX-UHFFFAOYSA-N 1 0 308.342 0.352 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000343277617 283030898 /nfs/dbraw/zinc/03/08/98/283030898.db2.gz FIKAHNRFMIYVTN-STQMWFEESA-N 1 0 320.349 0.603 20 5 DCBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCn1ccc([N+](=O)[O-])n1 ZINC000189434477 237398711 /nfs/dbraw/zinc/39/87/11/237398711.db2.gz DIFRZUJNDPRBGO-GFCCVEGCSA-N 1 0 311.386 0.568 20 5 DCBDRO Cc1c(CNC(=O)c2cn(CC[NH3+])nn2)cccc1[N+](=O)[O-] ZINC000318121120 291255617 /nfs/dbraw/zinc/25/56/17/291255617.db2.gz ZCDNAUQUFIRKRD-UHFFFAOYSA-N 1 0 304.310 0.383 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cccc(CO)c2)c1 ZINC000320160994 291257253 /nfs/dbraw/zinc/25/72/53/291257253.db2.gz IALQZIDILSRCBG-AWEZNQCLSA-N 1 0 306.322 0.434 20 5 DCBDRO COCC[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566009791 291263845 /nfs/dbraw/zinc/26/38/45/291263845.db2.gz LWHDWEWKOILRLO-NSHDSACASA-N 1 0 311.338 0.910 20 5 DCBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000566119037 291271625 /nfs/dbraw/zinc/27/16/25/291271625.db2.gz OUEXOJMHUMVCMT-GRYCIOLGSA-N 1 0 324.333 0.876 20 5 DCBDRO C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261822945 291304883 /nfs/dbraw/zinc/30/48/83/291304883.db2.gz UCFOJBGSNZVUFK-IONNQARKSA-N 1 0 303.315 0.844 20 5 DCBDRO CCOc1cccc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000566490498 291307489 /nfs/dbraw/zinc/30/74/89/291307489.db2.gz KBMXDAYOIUOPJX-WDEREUQCSA-N 1 0 320.349 0.742 20 5 DCBDRO CNC(=O)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000275445316 212336340 /nfs/dbraw/zinc/33/63/40/212336340.db2.gz HOGBURKRTQYSPO-UHFFFAOYSA-N 1 0 312.301 0.740 20 5 DCBDRO [NH3+]C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000420455408 240036223 /nfs/dbraw/zinc/03/62/23/240036223.db2.gz NFJJMUMWLXWCEV-LBPRGKRZSA-N 1 0 313.379 0.794 20 5 DCBDRO C[NH+](C)C1(CNC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CCOCC1 ZINC000265069124 204375879 /nfs/dbraw/zinc/37/58/79/204375879.db2.gz YNJQSAACYJLWNK-UHFFFAOYSA-N 1 0 324.337 0.536 20 5 DCBDRO CN([C@H]1CC[NH2+]C1)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000571880261 291537261 /nfs/dbraw/zinc/53/72/61/291537261.db2.gz CGZCITQYHDOZLK-LBPRGKRZSA-N 1 0 313.379 0.761 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCN2CC[NH+](C)CC2)c1 ZINC000266024980 205036895 /nfs/dbraw/zinc/03/68/95/205036895.db2.gz KXUAVLLGYNNXAY-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H](CO)C2CC2)c1 ZINC000572523536 291572957 /nfs/dbraw/zinc/57/29/57/291572957.db2.gz FXLYHSNHCMPGAB-GXTWGEPZSA-N 1 0 310.350 0.943 20 5 DCBDRO [NH3+]C1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000572720609 291584980 /nfs/dbraw/zinc/58/49/80/291584980.db2.gz ZMFIVEKGIXSNBK-UHFFFAOYSA-N 1 0 313.379 0.890 20 5 DCBDRO CC(C)[C@H]([NH3+])CCN(C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000573606005 291643735 /nfs/dbraw/zinc/64/37/35/291643735.db2.gz FUBKLQCCNOMJFM-SNVBAGLBSA-N 1 0 316.383 0.984 20 5 DCBDRO CN1CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000562995980 288614323 /nfs/dbraw/zinc/61/43/23/288614323.db2.gz NDOUSCDXDIHYQH-WCQYABFASA-N 1 0 309.322 0.155 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000063170824 184275775 /nfs/dbraw/zinc/27/57/75/184275775.db2.gz IKZJNKFVDOUPOS-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO COC(=O)c1cc(C(=O)NC2CC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000347490918 254161219 /nfs/dbraw/zinc/16/12/19/254161219.db2.gz FJAQRSCZKKMRSG-UHFFFAOYSA-N 1 0 307.306 0.863 20 5 DCBDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)C[C@H](C)O1 ZINC000285451940 131169530 /nfs/dbraw/zinc/16/95/30/131169530.db2.gz MSIYEXUFVUBAEO-AOOOYVTPSA-N 1 0 311.342 0.547 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000556987739 288406086 /nfs/dbraw/zinc/40/60/86/288406086.db2.gz KOLQATUSTBVZIJ-UHFFFAOYSA-N 1 0 308.338 0.958 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000194731380 395805920 /nfs/dbraw/zinc/80/59/20/395805920.db2.gz WBGIOEVVGBGDBP-JTQLQIEISA-N 1 0 315.351 0.619 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112918356 395825676 /nfs/dbraw/zinc/82/56/76/395825676.db2.gz UVKIIOXFEBEBHD-UHFFFAOYSA-N 1 0 320.393 0.891 20 5 DCBDRO COCC[NH2+]CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000216304839 395837451 /nfs/dbraw/zinc/83/74/51/395837451.db2.gz LVSSPQITFKEDEW-UHFFFAOYSA-N 1 0 303.340 0.109 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C)[NH+](C)C ZINC000047639028 395798594 /nfs/dbraw/zinc/79/85/94/395798594.db2.gz LESJGLYLFCRBMX-GHMZBOCLSA-N 1 0 322.365 0.779 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H]1COCCN1 ZINC000235786962 395893100 /nfs/dbraw/zinc/89/31/00/395893100.db2.gz LDUXBBFHMKKZTB-JTQLQIEISA-N 1 0 315.351 0.170 20 5 DCBDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272537031 395897792 /nfs/dbraw/zinc/89/77/92/395897792.db2.gz BPTIEYOUOFZOMT-WCQYABFASA-N 1 0 307.354 0.734 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@]2(C)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000230736691 395881882 /nfs/dbraw/zinc/88/18/82/395881882.db2.gz UICSVSZBZQFBDE-LBPRGKRZSA-N 1 0 315.351 0.634 20 5 DCBDRO C[C@H](C[NH3+])NC(=O)CCCn1c2ccc([N+](=O)[O-])cc2oc1=O ZINC000274403390 395944816 /nfs/dbraw/zinc/94/48/16/395944816.db2.gz HGZCXUBNMMFZMU-SECBINFHSA-N 1 0 322.321 0.746 20 5 DCBDRO NC(=O)[C@@H]1CCCCN1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248397186 395985935 /nfs/dbraw/zinc/98/59/35/395985935.db2.gz RIYXBHBYPFITSV-OCCSQVGLSA-N 1 0 323.349 0.674 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[NH2+]C1CC1 ZINC000151500847 395986892 /nfs/dbraw/zinc/98/68/92/395986892.db2.gz CPPDNMPVBMJLRP-JTQLQIEISA-N 1 0 320.349 0.581 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000248616712 395991031 /nfs/dbraw/zinc/99/10/31/395991031.db2.gz LZVSIOHRAQRQOW-RWMBFGLXSA-N 1 0 321.381 0.994 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH+](C)C ZINC000154757107 396042444 /nfs/dbraw/zinc/04/24/44/396042444.db2.gz PDSLCIVLZNXGMQ-UHFFFAOYSA-N 1 0 308.338 0.862 20 5 DCBDRO COc1ccc(S(=O)(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261595005 396047903 /nfs/dbraw/zinc/04/79/03/396047903.db2.gz CJNGBWOLBGWGTN-PSASIEDQSA-N 1 0 315.351 0.571 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[NH2+]CC1 ZINC000261613315 396049526 /nfs/dbraw/zinc/04/95/26/396049526.db2.gz AYDBLNINXABYOI-UHFFFAOYSA-N 1 0 308.338 0.837 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000261733768 396060634 /nfs/dbraw/zinc/06/06/34/396060634.db2.gz LUQZQOVHXPHTGZ-VIFPVBQESA-N 1 0 304.310 0.513 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])n1 ZINC000261762136 396063073 /nfs/dbraw/zinc/06/30/73/396063073.db2.gz LVUPYDBVHZKBBZ-LLVKDONJSA-N 1 0 317.371 0.171 20 5 DCBDRO O=C(CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1)N1CC[NH2+]CC1 ZINC000262006675 396089448 /nfs/dbraw/zinc/08/94/48/396089448.db2.gz FCEZFSKOSIJUSU-UHFFFAOYSA-N 1 0 318.377 0.775 20 5 DCBDRO COC[C@](C)(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000069911629 396094636 /nfs/dbraw/zinc/09/46/36/396094636.db2.gz PJCUKGBAXNAVQU-CQSZACIVSA-N 1 0 312.322 0.853 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071397244 396113375 /nfs/dbraw/zinc/11/33/75/396113375.db2.gz BJGDGUZXPWIDOB-SECBINFHSA-N 1 0 315.351 0.634 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262409018 396136395 /nfs/dbraw/zinc/13/63/95/396136395.db2.gz CWTARQHOSMOCEY-AWEZNQCLSA-N 1 0 304.350 0.715 20 5 DCBDRO C[C@H]1C[NH2+]CCN1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000261877519 396074747 /nfs/dbraw/zinc/07/47/47/396074747.db2.gz QICDVUIPNPNSAT-VIFPVBQESA-N 1 0 322.321 0.556 20 5 DCBDRO [NH3+][C@H](C(=O)NCCNc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000261880917 396075349 /nfs/dbraw/zinc/07/53/49/396075349.db2.gz UOUMEZXEWKYBQM-AWEZNQCLSA-N 1 0 322.365 0.877 20 5 DCBDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2[nH]ncc2[N+](=O)[O-])C1 ZINC000179264919 396225021 /nfs/dbraw/zinc/22/50/21/396225021.db2.gz FXIFMMGYVYUXLB-JTQLQIEISA-N 1 0 311.342 0.405 20 5 DCBDRO CC[N@@H+]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000264666900 396301132 /nfs/dbraw/zinc/30/11/32/396301132.db2.gz XNENKIZSSLAWGF-UHFFFAOYSA-N 1 0 308.338 0.311 20 5 DCBDRO CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CCN1C[C@@H](C)O ZINC000286105732 396375301 /nfs/dbraw/zinc/37/53/01/396375301.db2.gz NJYQTQYHYNANNT-ZJUUUORDSA-N 1 0 311.342 0.235 20 5 DCBDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCn1cc([N+](=O)[O-])cn1 ZINC000189474763 396396053 /nfs/dbraw/zinc/39/60/53/396396053.db2.gz CUKBRYOZHKARJJ-GFCCVEGCSA-N 1 0 311.386 0.568 20 5 DCBDRO C[NH+]1CCC(Nc2cc([N+](=O)[O-])cc(S(N)(=O)=O)c2)CC1 ZINC000269361060 396410031 /nfs/dbraw/zinc/41/00/31/396410031.db2.gz MSVWGTRHBOIQAL-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[N@@H+]1CCCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192726608 396436566 /nfs/dbraw/zinc/43/65/66/396436566.db2.gz HRAKVFFECXERPU-UHFFFAOYSA-N 1 0 320.349 0.489 20 5 DCBDRO NC(=O)C[C@H](N)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269741929 396441634 /nfs/dbraw/zinc/44/16/34/396441634.db2.gz WDKNBLLIQMJJMK-VIFPVBQESA-N 1 0 300.702 0.067 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000289136766 396455221 /nfs/dbraw/zinc/45/52/21/396455221.db2.gz FIRWBPAUGWVFLI-GFCCVEGCSA-N 1 0 319.365 0.297 20 5 DCBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1CO ZINC000372160203 396493513 /nfs/dbraw/zinc/49/35/13/396493513.db2.gz KDFAEZZLFKOTJJ-TVYUQYBPSA-N 1 0 309.322 0.349 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000581131733 396528874 /nfs/dbraw/zinc/52/88/74/396528874.db2.gz PYCNYZCHQLQXJP-CHWSQXEVSA-N 1 0 314.363 0.872 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1[N+](=O)[O-] ZINC000595001088 396544950 /nfs/dbraw/zinc/54/49/50/396544950.db2.gz QIIPZAVFDZZARI-XYPYZODXSA-N 1 0 310.306 0.760 20 5 DCBDRO [NH3+]C1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000595120758 396552690 /nfs/dbraw/zinc/55/26/90/396552690.db2.gz ULJCCKYPWZMSRG-UHFFFAOYSA-N 1 0 300.340 0.540 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H](O)C2CCCCC2)c1 ZINC000581548352 396563602 /nfs/dbraw/zinc/56/36/02/396563602.db2.gz FDPSGZSFUFXODH-KGLIPLIRSA-N 1 0 312.370 0.683 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000581559205 396565611 /nfs/dbraw/zinc/56/56/11/396565611.db2.gz QGSUHABHJLZYRO-UWVGGRQHSA-N 1 0 316.321 0.219 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595223845 396566245 /nfs/dbraw/zinc/56/62/45/396566245.db2.gz BVKGNEDHHXBAAW-NEPJUHHUSA-N 1 0 322.369 0.567 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000595274885 396576424 /nfs/dbraw/zinc/57/64/24/396576424.db2.gz CSWSPNVGRRYACW-LLVKDONJSA-N 1 0 322.369 0.429 20 5 DCBDRO NC(=O)C1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000595728201 396653145 /nfs/dbraw/zinc/65/31/45/396653145.db2.gz LPCBYHFYQXDQOL-UHFFFAOYSA-N 1 0 309.322 0.598 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCc1cnccn1 ZINC000581879760 396588830 /nfs/dbraw/zinc/58/88/30/396588830.db2.gz YLRFPDLYSSXLAE-ZDUSSCGKSA-N 1 0 318.333 0.957 20 5 DCBDRO CN1C[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1=O ZINC000584715446 396617353 /nfs/dbraw/zinc/61/73/53/396617353.db2.gz UKROQKBRJJXARW-CMPLNLGQSA-N 1 0 309.322 0.155 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000561239373 396636191 /nfs/dbraw/zinc/63/61/91/396636191.db2.gz IHZBFRFXIHKQQL-JOYOIKCWSA-N 1 0 306.322 0.017 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595923444 396683205 /nfs/dbraw/zinc/68/32/05/396683205.db2.gz VGWFLSABBCSMQA-GXFFZTMASA-N 1 0 308.338 0.487 20 5 DCBDRO Cn1cnc(CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])n1 ZINC000562990200 396691328 /nfs/dbraw/zinc/69/13/28/396691328.db2.gz FYFSSLBYDFFSMF-NSHDSACASA-N 1 0 321.337 0.295 20 5 DCBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000588860175 396695991 /nfs/dbraw/zinc/69/59/91/396695991.db2.gz FDVOMOHTGUMBOO-QWRGUYRKSA-N 1 0 311.363 0.937 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000588864350 396696594 /nfs/dbraw/zinc/69/65/94/396696594.db2.gz FOKLNLCNXJJWOX-MRVPVSSYSA-N 1 0 301.730 0.901 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000588864760 396697207 /nfs/dbraw/zinc/69/72/07/396697207.db2.gz QPDYJMLFJHXQSC-MRVPVSSYSA-N 1 0 301.730 0.901 20 5 DCBDRO Cc1c(CC(=O)N2CCN(C)C[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000563101740 396702408 /nfs/dbraw/zinc/70/24/08/396702408.db2.gz LMZQTAZQFOQQJN-CYBMUJFWSA-N 1 0 306.366 0.547 20 5 DCBDRO C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000563118627 396705901 /nfs/dbraw/zinc/70/59/01/396705901.db2.gz LBEXZIFQLIREPQ-UWVGGRQHSA-N 1 0 314.367 0.656 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000596067376 396713771 /nfs/dbraw/zinc/71/37/71/396713771.db2.gz LCCSPQLTADJOPP-HOMQSWHASA-N 1 0 300.336 0.481 20 5 DCBDRO C[NH2+]C[C@H](C)NCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000596108748 396718672 /nfs/dbraw/zinc/71/86/72/396718672.db2.gz XIIZNPZOFKOZTJ-JTQLQIEISA-N 1 0 311.338 0.844 20 5 DCBDRO O=c1[nH]ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)c1[N+](=O)[O-] ZINC000596139069 396723694 /nfs/dbraw/zinc/72/36/94/396723694.db2.gz ALGDIJRYZWDKHA-NSHDSACASA-N 1 0 308.338 0.854 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](O)C(F)F)c1 ZINC000563887323 396789164 /nfs/dbraw/zinc/78/91/64/396789164.db2.gz GFLZHQDFIADULS-GXSJLCMTSA-N 1 0 306.265 0.550 20 5 DCBDRO C[C@@H]1C[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C)S1 ZINC000304285225 396728771 /nfs/dbraw/zinc/72/87/71/396728771.db2.gz FNLYYKBKRCXULF-CKYFFXLPSA-N 1 0 300.384 0.978 20 5 DCBDRO C[C@@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858561 396754358 /nfs/dbraw/zinc/75/43/58/396754358.db2.gz WUFKOHLZLSNBEM-GXFFZTMASA-N 1 0 308.342 0.579 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2COc3ccccc3C2)c1 ZINC000328284789 396822264 /nfs/dbraw/zinc/82/22/64/396822264.db2.gz ZMLLRXZUPBNRLI-OCCSQVGLSA-N 1 0 318.333 0.746 20 5 DCBDRO C[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)[NH+](C)C ZINC000590723556 396827895 /nfs/dbraw/zinc/82/78/95/396827895.db2.gz DXZVSIICYCHYNG-QMMMGPOBSA-N 1 0 302.356 0.604 20 5 DCBDRO Cc1nn(CCC(=O)N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000590776543 396841174 /nfs/dbraw/zinc/84/11/74/396841174.db2.gz WTBHYDSOYMFPAM-OLZOCXBDSA-N 1 0 321.381 0.961 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2(C3CC3)CCOCC2)c1 ZINC000375704057 396800578 /nfs/dbraw/zinc/80/05/78/396800578.db2.gz ZWMRYDXVYLKJIZ-CYBMUJFWSA-N 1 0 310.354 0.701 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2Cc3ccccc3C2)c1 ZINC000319554590 396811343 /nfs/dbraw/zinc/81/13/43/396811343.db2.gz SGEAMGIXGYRKHF-HNNXBMFYSA-N 1 0 302.334 0.909 20 5 DCBDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000564827379 396875568 /nfs/dbraw/zinc/87/55/68/396875568.db2.gz GIZGBJXJYSUTDA-UHFFFAOYSA-N 1 0 320.349 0.157 20 5 DCBDRO C[C@H](C(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600535642 396884976 /nfs/dbraw/zinc/88/49/76/396884976.db2.gz RVPPECYJEDCHNA-SMDDNHRTSA-N 1 0 307.350 0.881 20 5 DCBDRO C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC[NH2+]1 ZINC000564933258 396901991 /nfs/dbraw/zinc/90/19/91/396901991.db2.gz FLEQUBDRMZAFND-VIFPVBQESA-N 1 0 307.306 0.800 20 5 DCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000591374445 396911802 /nfs/dbraw/zinc/91/18/02/396911802.db2.gz GQYNOQSHYMUNKE-WDEREUQCSA-N 1 0 320.349 0.420 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CCO[C@H](C[NH3+])C2)cc([N+](=O)[O-])c1 ZINC000571402680 396948325 /nfs/dbraw/zinc/94/83/25/396948325.db2.gz WWZCBWZFGIOTCL-GFCCVEGCSA-N 1 0 323.305 0.181 20 5 DCBDRO O=C1NCCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591734686 396994385 /nfs/dbraw/zinc/99/43/85/396994385.db2.gz ANIFWCCEYVGILB-AAEUAGOBSA-N 1 0 323.349 0.450 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000571946628 397003847 /nfs/dbraw/zinc/00/38/47/397003847.db2.gz GFGULPUIIKKKSW-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO CN(CCC[NH3+])C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000591679366 396975715 /nfs/dbraw/zinc/97/57/15/396975715.db2.gz RNYRGSMSFJPVFQ-UHFFFAOYSA-N 1 0 322.365 0.852 20 5 DCBDRO Cc1cc(S(=O)(=O)N(C)C2C[NH2+]C2)c(F)cc1[N+](=O)[O-] ZINC000601341591 397067160 /nfs/dbraw/zinc/06/71/60/397067160.db2.gz GQTKSQWWBBNFIB-UHFFFAOYSA-N 1 0 303.315 0.635 20 5 DCBDRO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601345403 397069793 /nfs/dbraw/zinc/06/97/93/397069793.db2.gz BOQSSBSEEXJNLZ-YUMQZZPRSA-N 1 0 317.754 0.983 20 5 DCBDRO CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000572831122 397099119 /nfs/dbraw/zinc/09/91/19/397099119.db2.gz YXXXJPIMLISNNY-JTQLQIEISA-N 1 0 314.367 0.705 20 5 DCBDRO COc1ccc(CC(=O)NCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592289804 397144596 /nfs/dbraw/zinc/14/45/96/397144596.db2.gz MDKBFYYFHSJQFV-UHFFFAOYSA-N 1 0 322.365 0.167 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000592307369 397149358 /nfs/dbraw/zinc/14/93/58/397149358.db2.gz GOGJKUWZQUAVCU-GWCFXTLKSA-N 1 0 309.322 0.548 20 5 DCBDRO Cn1c(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000592341822 397156419 /nfs/dbraw/zinc/15/64/19/397156419.db2.gz LVEZAFVGDOBEMP-NSHDSACASA-N 1 0 322.365 0.761 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 ZINC000592476525 397187503 /nfs/dbraw/zinc/18/75/03/397187503.db2.gz HMWHUXOLTWIREW-AMIZOPFISA-N 1 0 323.305 0.512 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000592546771 397207396 /nfs/dbraw/zinc/20/73/96/397207396.db2.gz BOJZOLHGIZJQGX-SSDOTTSWSA-N 1 0 312.351 0.249 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000592548075 397207842 /nfs/dbraw/zinc/20/78/42/397207842.db2.gz MILUYXINXJTNMT-CYBMUJFWSA-N 1 0 321.333 0.880 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000378390243 397238204 /nfs/dbraw/zinc/23/82/04/397238204.db2.gz BIFDPKJFBSARFB-UHFFFAOYSA-N 1 0 320.349 0.359 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@H]1CCC[NH2+]1 ZINC000598661788 397269842 /nfs/dbraw/zinc/26/98/42/397269842.db2.gz JKEWEOVZUUESKP-NSHDSACASA-N 1 0 321.337 0.585 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC[NH2+]1 ZINC000598661787 397270007 /nfs/dbraw/zinc/27/00/07/397270007.db2.gz JKEWEOVZUUESKP-LLVKDONJSA-N 1 0 321.337 0.585 20 5 DCBDRO CNC(=O)c1ccc(N2CCN(C)C[C@H]2CO)c([N+](=O)[O-])c1 ZINC000601980455 397279905 /nfs/dbraw/zinc/27/99/05/397279905.db2.gz XSECAAXYXFJGHM-NSHDSACASA-N 1 0 308.338 0.067 20 5 DCBDRO CN1CCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](CO)C1 ZINC000601979239 397280302 /nfs/dbraw/zinc/28/03/02/397280302.db2.gz BHNMDDZNHGEIDW-QMMMGPOBSA-N 1 0 309.351 0.712 20 5 DCBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598913220 397306635 /nfs/dbraw/zinc/30/66/35/397306635.db2.gz FLZVTYBWQXHHST-ONGXEEELSA-N 1 0 306.322 0.777 20 5 DCBDRO O=C1CC[C@@H](C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)N1 ZINC000593018058 397313092 /nfs/dbraw/zinc/31/30/92/397313092.db2.gz JUBNSCLLULPICY-WDEREUQCSA-N 1 0 305.338 0.755 20 5 DCBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCN2CC[C@@H](O)C2)n1 ZINC000599085087 397332513 /nfs/dbraw/zinc/33/25/13/397332513.db2.gz LPPVLBJDGXXRKS-RDBSUJKOSA-N 1 0 323.397 0.931 20 5 DCBDRO COC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1C1CC1 ZINC000593131549 397332889 /nfs/dbraw/zinc/33/28/89/397332889.db2.gz NXDXUFQVCYTXCN-NWDGAFQWSA-N 1 0 308.338 0.922 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000593394684 397361108 /nfs/dbraw/zinc/36/11/08/397361108.db2.gz SIZPAEJPESMBBL-UHFFFAOYSA-N 1 0 324.356 0.640 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000599199626 397361322 /nfs/dbraw/zinc/36/13/22/397361322.db2.gz NQVNLJCJZWBFMO-VIFPVBQESA-N 1 0 310.310 0.255 20 5 DCBDRO Cc1cc(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000578276401 397414416 /nfs/dbraw/zinc/41/44/16/397414416.db2.gz LLUKQXVUUCDYMP-LLVKDONJSA-N 1 0 322.365 0.699 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOc2ccccc2F)c1 ZINC000579911176 397597318 /nfs/dbraw/zinc/59/73/18/397597318.db2.gz PDETWNTUJBCEPC-LBPRGKRZSA-N 1 0 324.312 0.960 20 5 DCBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000609201970 397763537 /nfs/dbraw/zinc/76/35/37/397763537.db2.gz GODNXDOLEMOJHT-GFCCVEGCSA-N 1 0 319.365 0.590 20 5 DCBDRO C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)[NH+](C)C ZINC000610559977 397832150 /nfs/dbraw/zinc/83/21/50/397832150.db2.gz FXCNYQSWNZATLS-NSHDSACASA-N 1 0 307.354 0.589 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[NH+](C3CCC3)CC2)c1 ZINC000610369606 397817150 /nfs/dbraw/zinc/81/71/50/397817150.db2.gz ZPVZVDVHKAQJQP-CQSZACIVSA-N 1 0 309.370 0.322 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C[NH3+])C1CC1 ZINC000087384106 158091562 /nfs/dbraw/zinc/09/15/62/158091562.db2.gz JOLNCNHVXTYJBW-SNVBAGLBSA-N 1 0 315.351 0.619 20 5 DCBDRO CC[NH+](CC)CCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000114675353 158156458 /nfs/dbraw/zinc/15/64/58/158156458.db2.gz WJOPAIDVYULMAV-UHFFFAOYSA-N 1 0 310.354 0.605 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NCC1CC[NH+](C)CC1 ZINC000127657965 158276023 /nfs/dbraw/zinc/27/60/23/158276023.db2.gz RNGVIFXBVQYILD-UHFFFAOYSA-N 1 0 309.370 0.948 20 5 DCBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000133053304 158315736 /nfs/dbraw/zinc/31/57/36/158315736.db2.gz CXHBJURVOWYODN-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000165632141 158365167 /nfs/dbraw/zinc/36/51/67/158365167.db2.gz CBPIQSROZWPOPB-LLVKDONJSA-N 1 0 315.351 0.251 20 5 DCBDRO Nc1c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cccc1[N+](=O)[O-] ZINC000321806252 159011920 /nfs/dbraw/zinc/01/19/20/159011920.db2.gz YHWIKHHBYHWKDM-MNOVXSKESA-N 1 0 320.349 0.770 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000367780084 159356045 /nfs/dbraw/zinc/35/60/45/159356045.db2.gz PGHLXESCOHXCFX-UWVGGRQHSA-N 1 0 317.342 0.882 20 5 DCBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccncc1[N+](=O)[O-] ZINC000367908553 159364416 /nfs/dbraw/zinc/36/44/16/159364416.db2.gz VWACOKJURKVNQG-MNOVXSKESA-N 1 0 321.337 0.396 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@H]21 ZINC000374626988 159742888 /nfs/dbraw/zinc/74/28/88/159742888.db2.gz GPQSWCDZTUVSBY-CYZMBNFOSA-N 1 0 307.354 0.767 20 5 DCBDRO COC(=O)[C@H](O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000135342934 287021569 /nfs/dbraw/zinc/02/15/69/287021569.db2.gz BIUMIQBWLSIGCD-GFCCVEGCSA-N 1 0 312.326 0.037 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000141503153 287029854 /nfs/dbraw/zinc/02/98/54/287029854.db2.gz GBJNSGFRZAUEBZ-UHFFFAOYSA-N 1 0 311.342 0.018 20 5 DCBDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420442926 287297787 /nfs/dbraw/zinc/29/77/87/287297787.db2.gz FNEUGDYKXOOWCF-JTQLQIEISA-N 1 0 301.368 0.746 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])n1 ZINC000420443076 287298068 /nfs/dbraw/zinc/29/80/68/287298068.db2.gz ACQRBMJFIQVEMG-VIFPVBQESA-N 1 0 319.387 0.463 20 5 DCBDRO NC(=O)[C@H](Cc1ccc(F)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000273047660 415305693 /nfs/dbraw/zinc/30/56/93/415305693.db2.gz WLCKOBBECVWKLX-ZDUSSCGKSA-N 1 0 321.312 0.617 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@]2(O)CC[N@H+](C)C2)n1 ZINC000342833073 415309740 /nfs/dbraw/zinc/30/97/40/415309740.db2.gz WUVCYFYOLGEPJL-CYBMUJFWSA-N 1 0 310.310 0.255 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352807649 415327031 /nfs/dbraw/zinc/32/70/31/415327031.db2.gz WYIHYCJQYFLWPO-UONOGXRCSA-N 1 0 323.349 0.923 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@@H](C[NH2+]C)C2)c([N+](=O)[O-])n1 ZINC000353217795 415478868 /nfs/dbraw/zinc/47/88/68/415478868.db2.gz MNSBRHXDRUDNPH-VIFPVBQESA-N 1 0 317.371 0.041 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000281609786 415557123 /nfs/dbraw/zinc/55/71/23/415557123.db2.gz CGWKFYMKALQBDT-UHFFFAOYSA-N 1 0 324.337 0.610 20 5 DCBDRO CCn1cc(S(=O)(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000353498253 415566825 /nfs/dbraw/zinc/56/68/25/415566825.db2.gz ZCCIGTIYWSJXKA-IUCAKERBSA-N 1 0 317.371 0.182 20 5 DCBDRO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](C)C1 ZINC000343553358 415635996 /nfs/dbraw/zinc/63/59/96/415635996.db2.gz VXLLNXBZVFKLHQ-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000288774172 415686666 /nfs/dbraw/zinc/68/66/66/415686666.db2.gz PMZSWRBOHPLTIV-NSHDSACASA-N 1 0 309.322 0.834 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000425551223 287317266 /nfs/dbraw/zinc/31/72/66/287317266.db2.gz QACWUWRNDWOHQK-NSHDSACASA-N 1 0 316.321 0.801 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000127852311 415892558 /nfs/dbraw/zinc/89/25/58/415892558.db2.gz BVADPJGUAHOFDG-MNOVXSKESA-N 1 0 307.354 0.885 20 5 DCBDRO COc1c(C(=O)NCC2(O)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000356261495 415893450 /nfs/dbraw/zinc/89/34/50/415893450.db2.gz JSJMNZXPGVQOCV-UHFFFAOYSA-N 1 0 323.349 0.790 20 5 DCBDRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000124466219 415853515 /nfs/dbraw/zinc/85/35/15/415853515.db2.gz IAGDUTJKMBNRAT-SNVBAGLBSA-N 1 0 321.333 0.729 20 5 DCBDRO CCCc1n[nH]c(C(=O)NC[C@](C)(O)C[NH+](C)C)c1[N+](=O)[O-] ZINC000153325718 415978977 /nfs/dbraw/zinc/97/89/77/415978977.db2.gz YCKSBGDSOAELFG-ZDUSSCGKSA-N 1 0 313.358 0.313 20 5 DCBDRO CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000344760120 415983616 /nfs/dbraw/zinc/98/36/16/415983616.db2.gz OAEDIJJGAZBIPF-LBPRGKRZSA-N 1 0 323.397 0.926 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000173365139 416056647 /nfs/dbraw/zinc/05/66/47/416056647.db2.gz OYLNKPSOHHEUAC-AAEUAGOBSA-N 1 0 320.353 0.755 20 5 DCBDRO C[C@H]1[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CCC[N@@H+]1C ZINC000345290780 416072328 /nfs/dbraw/zinc/07/23/28/416072328.db2.gz LHIMOAWUOVAZFB-WDEREUQCSA-N 1 0 308.338 0.355 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCC1CC[NH+](CCO)CC1 ZINC000160698952 416009267 /nfs/dbraw/zinc/00/92/67/416009267.db2.gz YHPFUAKCBADJJC-UHFFFAOYSA-N 1 0 321.377 0.958 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000358080176 416190042 /nfs/dbraw/zinc/19/00/42/416190042.db2.gz ZUEJYHABROMCHN-OAHLLOKOSA-N 1 0 307.350 0.710 20 5 DCBDRO [NH3+]C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000358123856 416196057 /nfs/dbraw/zinc/19/60/57/416196057.db2.gz JUWLPZBWEIDQCZ-KGLIPLIRSA-N 1 0 320.349 0.360 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](C[C@@H]3CCOC3)CC2)n1 ZINC000178485727 416164117 /nfs/dbraw/zinc/16/41/17/416164117.db2.gz RVEWJOVSCLNKFK-ZDUSSCGKSA-N 1 0 309.370 0.445 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1cc(OC)ccc1[N+](=O)[O-] ZINC000183957903 416250975 /nfs/dbraw/zinc/25/09/75/416250975.db2.gz UGBAIJNBAKIELL-UHFFFAOYSA-N 1 0 311.338 0.647 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415416899 416342433 /nfs/dbraw/zinc/34/24/33/416342433.db2.gz LLDIVSGHNDRSBZ-SSDOTTSWSA-N 1 0 314.729 0.992 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000415444635 416343596 /nfs/dbraw/zinc/34/35/96/416343596.db2.gz VLRXFOSSGSDFLQ-SECBINFHSA-N 1 0 322.321 0.362 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000415515343 416345916 /nfs/dbraw/zinc/34/59/16/416345916.db2.gz BWSBKSJWZVAYBT-UHFFFAOYSA-N 1 0 308.338 0.958 20 5 DCBDRO Cc1c(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000415539565 416346707 /nfs/dbraw/zinc/34/67/07/416346707.db2.gz MPLFQEVFXMRMQG-JTQLQIEISA-N 1 0 306.322 0.695 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000415558409 416347752 /nfs/dbraw/zinc/34/77/52/416347752.db2.gz JSWDMDXRXRGRQE-UHFFFAOYSA-N 1 0 306.322 0.839 20 5 DCBDRO O=C([C@@H]1CC[NH2+]C1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000237950580 416329346 /nfs/dbraw/zinc/32/93/46/416329346.db2.gz ANDLGZHTBHZAKX-GHMZBOCLSA-N 1 0 305.338 0.612 20 5 DCBDRO C[NH+](C)[C@@H]1CN(c2ncnc3cccc([N+](=O)[O-])c32)C[C@@H]1O ZINC000359965988 416367198 /nfs/dbraw/zinc/36/71/98/416367198.db2.gz ILDOJNMEIMUTJS-NEPJUHHUSA-N 1 0 303.322 0.649 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000418764391 416390099 /nfs/dbraw/zinc/39/00/99/416390099.db2.gz AFHULEVXEYBTPK-ZYHUDNBSSA-N 1 0 320.349 0.640 20 5 DCBDRO C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000418764389 416390179 /nfs/dbraw/zinc/39/01/79/416390179.db2.gz AFHULEVXEYBTPK-JQWIXIFHSA-N 1 0 320.349 0.640 20 5 DCBDRO CN(CC[NH3+])C(=O)C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000419354482 416400526 /nfs/dbraw/zinc/40/05/26/416400526.db2.gz QVNFZRIKALTGMC-UHFFFAOYSA-N 1 0 322.365 0.451 20 5 DCBDRO CNc1nccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000582429035 416454357 /nfs/dbraw/zinc/45/43/57/416454357.db2.gz HXNBWTDZFUPVMU-NSHDSACASA-N 1 0 321.381 1.492 20 5 DCBDRO CNc1nccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000590422884 416526506 /nfs/dbraw/zinc/52/65/06/416526506.db2.gz KCYIAOKKYHFTST-NSHDSACASA-N 1 0 321.381 1.493 20 5 DCBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000362027201 416546825 /nfs/dbraw/zinc/54/68/25/416546825.db2.gz NRJSKZYETZWBMT-QWHCGFSZSA-N 1 0 311.338 0.540 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000537180277 416551553 /nfs/dbraw/zinc/55/15/53/416551553.db2.gz LEMVUDGGSAAOQP-UHFFFAOYSA-N 1 0 311.342 0.270 20 5 DCBDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000540975201 416600786 /nfs/dbraw/zinc/60/07/86/416600786.db2.gz CXZWKUKBSDSHAX-JTQLQIEISA-N 1 0 314.367 0.562 20 5 DCBDRO O=[N+]([O-])c1cccc2ncnc(NCC[N@H+]3CC[C@H](O)C3)c21 ZINC000599199857 416609289 /nfs/dbraw/zinc/60/92/89/416609289.db2.gz UJMZZVSPSMYCIA-JTQLQIEISA-N 1 0 303.322 1.017 20 5 DCBDRO C[C@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)C1CC[NH2+]CC1 ZINC000423899504 416583629 /nfs/dbraw/zinc/58/36/29/416583629.db2.gz JIWYYUCITFLJIS-LLVKDONJSA-N 1 0 309.370 0.933 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000441625548 416677167 /nfs/dbraw/zinc/67/71/67/416677167.db2.gz ZGARMOCSYVBKNP-SECBINFHSA-N 1 0 322.321 0.031 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])n1 ZINC000440795257 416647508 /nfs/dbraw/zinc/64/75/08/416647508.db2.gz DRDPADMQLGYSQC-SECBINFHSA-N 1 0 317.371 0.232 20 5 DCBDRO CC(C)OCCC[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441470168 416673853 /nfs/dbraw/zinc/67/38/53/416673853.db2.gz UANZVPGLWYZWPQ-ZDUSSCGKSA-N 1 0 300.359 0.899 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000425505739 416711857 /nfs/dbraw/zinc/71/18/57/416711857.db2.gz ZBZLVWBSNJJTTC-AAEUAGOBSA-N 1 0 321.341 0.081 20 5 DCBDRO CNc1nccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000561224903 416859747 /nfs/dbraw/zinc/85/97/47/416859747.db2.gz IGODPFZKHTZSPS-JTQLQIEISA-N 1 0 307.354 1.198 20 5 DCBDRO CC[N@H+](C)C[C@@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518791089 416876783 /nfs/dbraw/zinc/87/67/83/416876783.db2.gz WGRASXZBRPCLSK-CYBMUJFWSA-N 1 0 311.386 0.741 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000447247861 416975154 /nfs/dbraw/zinc/97/51/54/416975154.db2.gz KCQSKVZUCXUWKN-QMMMGPOBSA-N 1 0 303.340 0.477 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(CCc3ccc([N+](=O)[O-])cc3)CCN2C1=O ZINC000565489691 416988815 /nfs/dbraw/zinc/98/88/15/416988815.db2.gz BTLZWKFIQPWBOP-UONOGXRCSA-N 1 0 304.350 0.381 20 5 DCBDRO NC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000565711467 417005674 /nfs/dbraw/zinc/00/56/74/417005674.db2.gz BUEAWRYQYOZKJP-MDZLAQPJSA-N 1 0 323.349 0.578 20 5 DCBDRO C[C@@]1(C[NH3+])CCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000568510774 417144743 /nfs/dbraw/zinc/14/47/43/417144743.db2.gz FRVPZWOVGDSCDV-NSHDSACASA-N 1 0 300.340 0.349 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000449587330 417152940 /nfs/dbraw/zinc/15/29/40/417152940.db2.gz IYSRWSMIFFAQRY-IUCAKERBSA-N 1 0 304.310 0.641 20 5 DCBDRO CC1(C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2CCCO[C@@H]21 ZINC000451480633 417351337 /nfs/dbraw/zinc/35/13/37/417351337.db2.gz QTNDKWJYIURSQZ-FQUUOJAGSA-N 1 0 324.381 0.945 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]CC1 ZINC000415276566 417352318 /nfs/dbraw/zinc/35/23/18/417352318.db2.gz DOXGWFOVHLMGTH-UHFFFAOYSA-N 1 0 306.322 0.528 20 5 DCBDRO CO[C@]1(C)C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451493606 417354027 /nfs/dbraw/zinc/35/40/27/417354027.db2.gz RNJIDDPZKQGVNL-YRGRVCCFSA-N 1 0 312.370 0.945 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[S@@](=O)C2)c1 ZINC000570675363 417381302 /nfs/dbraw/zinc/38/13/02/417381302.db2.gz IEJWNVKQXJDUNX-WOOQEGAKSA-N 1 0 314.363 0.445 20 5 DCBDRO C[NH2+]C[C@](C)(O)CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000575875201 417557239 /nfs/dbraw/zinc/55/72/39/417557239.db2.gz XTIBQLBRGZPWET-HNNXBMFYSA-N 1 0 308.382 0.687 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1 ZINC000575329776 417528327 /nfs/dbraw/zinc/52/83/27/417528327.db2.gz QMIONCPVYRRELP-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000531109479 417606575 /nfs/dbraw/zinc/60/65/75/417606575.db2.gz GVVBHDNIRMOZLN-GFCCVEGCSA-N 1 0 307.354 0.878 20 5 DCBDRO CCC(CC)[C@@H](O)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000230565688 261153868 /nfs/dbraw/zinc/15/38/68/261153868.db2.gz FKELXRIIZWAGOZ-STQMWFEESA-N 1 0 300.359 0.539 20 5 DCBDRO CN1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH3+])C1 ZINC000316576534 261175820 /nfs/dbraw/zinc/17/58/20/261175820.db2.gz LUBCKXFWZBOAED-ZBKLQPJUSA-N 1 0 304.350 0.709 20 5 DCBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCS(=O)(=O)CC1 ZINC000354407875 261215569 /nfs/dbraw/zinc/21/55/69/261215569.db2.gz KTWIAZUQZIEPJL-SNVBAGLBSA-N 1 0 316.383 0.594 20 5 DCBDRO Cc1ccc(S(=O)(=O)N2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000358437691 261668285 /nfs/dbraw/zinc/66/82/85/261668285.db2.gz DYSKWWREOOTUNY-JTQLQIEISA-N 1 0 315.351 0.251 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000417211426 262247631 /nfs/dbraw/zinc/24/76/31/262247631.db2.gz ACGBKVNDCNEHMZ-CQSZACIVSA-N 1 0 322.365 0.815 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417913665 262265181 /nfs/dbraw/zinc/26/51/81/262265181.db2.gz QHBZNNYFHOHLMB-JQWIXIFHSA-N 1 0 310.358 0.703 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000417929397 262265271 /nfs/dbraw/zinc/26/52/71/262265271.db2.gz AHCIWCIUTBLHRW-CQSZACIVSA-N 1 0 321.381 0.340 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418773400 262288791 /nfs/dbraw/zinc/28/87/91/262288791.db2.gz CFYKONJMGUPWNR-ZJUUUORDSA-N 1 0 308.338 0.496 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418779431 262289408 /nfs/dbraw/zinc/28/94/08/262289408.db2.gz JXZMWERCUPTCML-GXFFZTMASA-N 1 0 322.365 0.872 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000418783605 262289700 /nfs/dbraw/zinc/28/97/00/262289700.db2.gz OUZFBFDFZBFGIA-RNCFNFMXSA-N 1 0 320.349 0.626 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418792236 262289962 /nfs/dbraw/zinc/28/99/62/262289962.db2.gz ZQBNVOLVMZGOJS-ZYHUDNBSSA-N 1 0 320.349 0.722 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418792245 262290163 /nfs/dbraw/zinc/29/01/63/262290163.db2.gz ZQYDAOKXEJQFFC-UWVGGRQHSA-N 1 0 308.338 0.483 20 5 DCBDRO C[NH+](C)C1(CNc2cccc(S(N)(=O)=O)c2[N+](=O)[O-])CC1 ZINC000419012542 262304436 /nfs/dbraw/zinc/30/44/36/262304436.db2.gz WTHKVWCDKLRAJO-UHFFFAOYSA-N 1 0 314.367 0.748 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1[N+](=O)[O-] ZINC000419152505 262313750 /nfs/dbraw/zinc/31/37/50/262313750.db2.gz OIBHOUDYSDSSPV-GHMZBOCLSA-N 1 0 320.349 0.640 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000420276972 262368389 /nfs/dbraw/zinc/36/83/89/262368389.db2.gz PTAUTYDINCVJNG-LLVKDONJSA-N 1 0 319.365 0.795 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2C[NH2+]CCN2C)n1 ZINC000420266166 262368482 /nfs/dbraw/zinc/36/84/82/262368482.db2.gz FVTXIJDRBOMWRS-SECBINFHSA-N 1 0 309.326 0.092 20 5 DCBDRO CN(C(=O)CN1CCCO[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000420379513 262372865 /nfs/dbraw/zinc/37/28/65/262372865.db2.gz ATZAYASLWNZUHK-AWEZNQCLSA-N 1 0 322.365 0.607 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2Cc3cccc(O)c3C2)c1 ZINC000429304077 262599750 /nfs/dbraw/zinc/59/97/50/262599750.db2.gz XNYLPXUYODJMMR-WCQYABFASA-N 1 0 318.333 0.615 20 5 DCBDRO CO[C@@H]1CCN(C(=O)COc2cccc([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000359230663 271107977 /nfs/dbraw/zinc/10/79/77/271107977.db2.gz YAJDDBMMRHUEJW-QWHCGFSZSA-N 1 0 323.349 0.938 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)c([N+](=O)[O-])c1 ZINC000359866613 271148916 /nfs/dbraw/zinc/14/89/16/271148916.db2.gz BCHIZLPWWQZQCH-ZDUSSCGKSA-N 1 0 323.349 0.571 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000422791353 271385414 /nfs/dbraw/zinc/38/54/14/271385414.db2.gz UWFWNDYLRIWPJO-LBPRGKRZSA-N 1 0 320.349 0.501 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000422830746 271388203 /nfs/dbraw/zinc/38/82/03/271388203.db2.gz RRNLPDFKYKJGKK-NSHDSACASA-N 1 0 320.349 0.453 20 5 DCBDRO COc1ccc(OCC[N@@H+]2C[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC000459714465 272007009 /nfs/dbraw/zinc/00/70/09/272007009.db2.gz UTLCUDQKPDSKGJ-GWCFXTLKSA-N 1 0 312.322 0.267 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000490320755 272072940 /nfs/dbraw/zinc/07/29/40/272072940.db2.gz RXXAAJJTIFWIPD-MNOVXSKESA-N 1 0 310.358 0.573 20 5 DCBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000493487477 272192413 /nfs/dbraw/zinc/19/24/13/272192413.db2.gz NWUKIBIWXWNBEO-BALMKSLISA-N 1 0 321.308 0.946 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494890478 272233866 /nfs/dbraw/zinc/23/38/66/272233866.db2.gz NNJOJZDJWIPOFS-RYUDHWBXSA-N 1 0 307.354 0.700 20 5 DCBDRO C[C@H](C[NH3+])CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420426852 279289646 /nfs/dbraw/zinc/28/96/46/279289646.db2.gz QQCUHOBOFQPUDQ-SNVBAGLBSA-N 1 0 301.368 0.652 20 5 DCBDRO CC[N@H+](CCNS(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000548369719 288136609 /nfs/dbraw/zinc/13/66/09/288136609.db2.gz NIUSDDBRRIWVNH-UHFFFAOYSA-N 1 0 316.383 0.998 20 5 DCBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1csc([N+](=O)[O-])c1 ZINC000556849964 288399903 /nfs/dbraw/zinc/39/99/03/288399903.db2.gz LVRNLOKXTMAQQQ-CYBMUJFWSA-N 1 0 311.363 0.843 20 5 DCBDRO CC(C)[NH2+]C1(CO)CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000563631354 288694088 /nfs/dbraw/zinc/69/40/88/288694088.db2.gz MGNNDSMPLJGBTB-UHFFFAOYSA-N 1 0 311.386 0.616 20 5 DCBDRO Cc1nn(C)c(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000374631903 293698588 /nfs/dbraw/zinc/69/85/88/293698588.db2.gz RLTLMGHZMYINKP-AXFHLTTASA-N 1 0 307.354 0.836 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCO[C@H](C[NH3+])C1 ZINC000165614542 302044466 /nfs/dbraw/zinc/04/44/66/302044466.db2.gz WPXXXKYFQMBETB-SNVBAGLBSA-N 1 0 315.351 0.251 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000583933972 331474756 /nfs/dbraw/zinc/47/47/56/331474756.db2.gz GHMUFILUECVACM-VIFPVBQESA-N 1 0 315.351 0.465 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000570395189 332748329 /nfs/dbraw/zinc/74/83/29/332748329.db2.gz HCKPOAVLGAFXMX-LBPRGKRZSA-N 1 0 306.366 0.927 20 5 DCBDRO COc1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000582785034 337161234 /nfs/dbraw/zinc/16/12/34/337161234.db2.gz ZUMSJILNGWGLGJ-LBPRGKRZSA-N 1 0 322.365 0.627 20 5 DCBDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000583083038 337237353 /nfs/dbraw/zinc/23/73/53/337237353.db2.gz IKWSXQGAGBPYDL-PWSUYJOCSA-N 1 0 307.354 0.953 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000584465017 337346672 /nfs/dbraw/zinc/34/66/72/337346672.db2.gz PEQIGCLYGKOJMU-CQSZACIVSA-N 1 0 309.370 0.369 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000577443598 341910105 /nfs/dbraw/zinc/91/01/05/341910105.db2.gz UIXZEVAABCBQPT-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO CC(C)([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000160116440 519302412 /nfs/dbraw/zinc/30/24/12/519302412.db2.gz DHYPUYAJVRQOHS-UHFFFAOYSA-N 1 0 315.351 0.465 20 5 DCBDRO CC[NH2+]CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000237022079 519923498 /nfs/dbraw/zinc/92/34/98/519923498.db2.gz BUYCNRKOKOAAMC-UHFFFAOYSA-N 1 0 303.340 0.491 20 5 DCBDRO COc1cc(CCNC(=O)[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OC ZINC000262056252 522333959 /nfs/dbraw/zinc/33/39/59/522333959.db2.gz HZJLAUDYEATOPJ-SECBINFHSA-N 1 0 311.338 0.866 20 5 DCBDRO COC(=O)[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566840 523950352 /nfs/dbraw/zinc/95/03/52/523950352.db2.gz ZXAFYLSKSNGXPX-JQWIXIFHSA-N 1 0 312.326 0.037 20 5 DCBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000247442635 524562738 /nfs/dbraw/zinc/56/27/38/524562738.db2.gz MALFJCVRCFPHRP-WCQYABFASA-N 1 0 324.385 0.773 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000237470493 524842228 /nfs/dbraw/zinc/84/22/28/524842228.db2.gz UKVYWGAQICTHHV-WDEREUQCSA-N 1 0 308.338 0.342 20 5 DCBDRO C[C@@H](O)C[NH+]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000189386209 525796702 /nfs/dbraw/zinc/79/67/02/525796702.db2.gz AWCVYXUOEUFISW-DOMZBBRYSA-N 1 0 309.366 0.627 20 5 DCBDRO Cc1cc(C(=O)NCC2(O)CC[NH+](C)CC2)c(N)c([N+](=O)[O-])c1 ZINC000267097707 526265524 /nfs/dbraw/zinc/26/55/24/526265524.db2.gz NUUWKXQNRNLQCC-UHFFFAOYSA-N 1 0 322.365 0.672 20 5 DCBDRO [NH3+]CCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 ZINC000237868341 527186763 /nfs/dbraw/zinc/18/67/63/527186763.db2.gz QKHGNQUJSIZBLA-UHFFFAOYSA-N 1 0 308.294 0.358 20 5 DCBDRO [NH3+]C[C@H](NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C1CC1 ZINC000237922803 527227784 /nfs/dbraw/zinc/22/77/84/527227784.db2.gz PAHGLRIAEMCOKM-NSHDSACASA-N 1 0 316.321 0.643 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CC1)OCCO2 ZINC000159747717 527486878 /nfs/dbraw/zinc/48/68/78/527486878.db2.gz STPUVHMMZVQTCI-UHFFFAOYSA-N 1 0 309.322 0.595 20 5 DCBDRO C[NH+]1CCC(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821623144 607164452 /nfs/dbraw/zinc/16/44/52/607164452.db2.gz DYYWPPRWAUYTNY-UHFFFAOYSA-N 1 0 304.314 0.676 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@@H]2CC2CC2)c1 ZINC000933211072 658560398 /nfs/dbraw/zinc/56/03/98/658560398.db2.gz YTJJMRXCROQEEN-JSGCOSHPSA-N 1 0 310.354 0.653 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CCOC3CCC3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776112 659557275 /nfs/dbraw/zinc/55/72/75/659557275.db2.gz YTNRACMXLIZDQT-RGDJUOJXSA-N 1 0 309.366 0.267 20 5 DCBDRO C[C@H]1C[N@H+](CCCOC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000893390420 659621560 /nfs/dbraw/zinc/62/15/60/659621560.db2.gz FOKWVWXCEYKBTO-NSHDSACASA-N 1 0 312.326 0.445 20 5 DCBDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000893752520 661404778 /nfs/dbraw/zinc/40/47/78/661404778.db2.gz MOZBRLFXILNFQN-JQWIXIFHSA-N 1 0 308.342 0.137 20 5 DCBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000893752524 661404793 /nfs/dbraw/zinc/40/47/93/661404793.db2.gz MOZBRLFXILNFQN-ZYHUDNBSSA-N 1 0 308.342 0.137 20 5 DCBDRO C[N@@H+]1CC[C@H]1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000928568462 662132534 /nfs/dbraw/zinc/13/25/34/662132534.db2.gz GJWYMYYLFSNSKG-LBPRGKRZSA-N 1 0 303.322 0.765 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1C[N@H+](C)CCN1C ZINC000896575911 662294214 /nfs/dbraw/zinc/29/42/14/662294214.db2.gz DBWCXKGYBAPGSH-PWSUYJOCSA-N 1 0 309.370 0.297 20 5 DCBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896580779 662295204 /nfs/dbraw/zinc/29/52/04/662295204.db2.gz NJEXUALYNYZXST-RISCZKNCSA-N 1 0 306.366 0.959 20 5 DCBDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000898844802 663109970 /nfs/dbraw/zinc/10/99/70/663109970.db2.gz JAHWKZRVPPRXRI-VXGBXAGGSA-N 1 0 307.354 0.780 20 5 DCBDRO O=[N+]([O-])c1ccnn1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000172407135 664621259 /nfs/dbraw/zinc/62/12/59/664621259.db2.gz LTRFZICDZMYYHV-UHFFFAOYSA-N 1 0 309.370 0.793 20 5 DCBDRO CN1CCOC[C@@]1(CO)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922535638 666477123 /nfs/dbraw/zinc/47/71/23/666477123.db2.gz KGOHWGPJTXZFGA-NBUZRDOWSA-N 1 0 321.377 0.891 20 5 DCBDRO CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000861349318 666920454 /nfs/dbraw/zinc/92/04/54/666920454.db2.gz RXELYKCYTNANGA-TVQRCGJNSA-N 1 0 312.326 0.594 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000861541496 666941536 /nfs/dbraw/zinc/94/15/36/666941536.db2.gz CVJSOGKCMUVUMD-SSDOTTSWSA-N 1 0 314.729 0.992 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000861627964 666951533 /nfs/dbraw/zinc/95/15/33/666951533.db2.gz DTGDGYXUPNTNLV-MRVPVSSYSA-N 1 0 306.326 0.960 20 5 DCBDRO Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034642366 667089209 /nfs/dbraw/zinc/08/92/09/667089209.db2.gz CBFBACVYFIWFLP-PRULPYPASA-N 1 0 323.353 0.560 20 5 DCBDRO Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001034644025 667089460 /nfs/dbraw/zinc/08/94/60/667089460.db2.gz YKEUPKPYIYMOEM-HBJVGIJOSA-N 1 0 321.381 0.602 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863315882 667127025 /nfs/dbraw/zinc/12/70/25/667127025.db2.gz HFJSXCCQYCSQQO-SNVBAGLBSA-N 1 0 311.313 0.839 20 5 DCBDRO Cc1cc(F)cc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1[N+](=O)[O-] ZINC000863322518 667129049 /nfs/dbraw/zinc/12/90/49/667129049.db2.gz WJYHBMKLAQCEHF-LLVKDONJSA-N 1 0 311.313 0.839 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000808169683 668210936 /nfs/dbraw/zinc/21/09/36/668210936.db2.gz DKYJQNRXFCEDNV-VIFPVBQESA-N 1 0 312.282 0.155 20 5 DCBDRO C[C@H]1COC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000926150760 668379100 /nfs/dbraw/zinc/37/91/00/668379100.db2.gz NWFVBCMBAGURFN-GXFFZTMASA-N 1 0 314.363 0.993 20 5 DCBDRO C[C@@H]1COC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000926150761 668380061 /nfs/dbraw/zinc/38/00/61/668380061.db2.gz NWFVBCMBAGURFN-MFKMUULPSA-N 1 0 314.363 0.993 20 5 DCBDRO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131191 669163033 /nfs/dbraw/zinc/16/30/33/669163033.db2.gz IBQOXTKYINJHHK-HZSPNIEDSA-N 1 0 309.370 0.321 20 5 DCBDRO C[C@@H]1CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000783910198 669180244 /nfs/dbraw/zinc/18/02/44/669180244.db2.gz DBBYKPQLJOVILM-CHWSQXEVSA-N 1 0 309.366 0.970 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880579720 669241674 /nfs/dbraw/zinc/24/16/74/669241674.db2.gz UPONNVAJAKXGJA-CYBMUJFWSA-N 1 0 324.381 0.963 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C[C@]2(C)C1 ZINC000933741600 669530059 /nfs/dbraw/zinc/53/00/59/669530059.db2.gz YFRKLIKGDFMKDW-XBFCOCLRSA-N 1 0 309.370 0.036 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000933891553 669548878 /nfs/dbraw/zinc/54/88/78/669548878.db2.gz IJMJYYHXQKAEEZ-NEPJUHHUSA-N 1 0 307.354 0.795 20 5 DCBDRO C[C@@H]1CSCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000934301086 669592852 /nfs/dbraw/zinc/59/28/52/669592852.db2.gz SSCTVHYPXWXDSS-PWSUYJOCSA-N 1 0 300.384 0.980 20 5 DCBDRO O=C1CC[C@H]([NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)C(=O)N1 ZINC000799168123 670046715 /nfs/dbraw/zinc/04/67/15/670046715.db2.gz LMSGXKRNHBUHHC-JTQLQIEISA-N 1 0 307.310 0.233 20 5 DCBDRO O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000855200608 670685948 /nfs/dbraw/zinc/68/59/48/670685948.db2.gz GVOAJHMOWYJEKL-ZIAGYGMSSA-N 1 0 311.382 0.659 20 5 DCBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1ccc([N+](=O)[O-])cn1)C2 ZINC000850587189 670920781 /nfs/dbraw/zinc/92/07/81/670920781.db2.gz ROBDMBGARDHOAL-UHFFFAOYSA-N 1 0 312.351 0.538 20 5 DCBDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000858640373 671025529 /nfs/dbraw/zinc/02/55/29/671025529.db2.gz PHLDSCBJHPADFW-SNVBAGLBSA-N 1 0 301.368 0.746 20 5 DCBDRO COc1cc(S(=O)(=O)N[C@@H]2CC[NH2+][C@H]2C)ccc1[N+](=O)[O-] ZINC000858641657 671025846 /nfs/dbraw/zinc/02/58/46/671025846.db2.gz AHKFJHHNJNWWBS-WCBMZHEXSA-N 1 0 315.351 0.632 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000818557309 671030238 /nfs/dbraw/zinc/03/02/38/671030238.db2.gz SKFGOWPHMGARNR-NSHDSACASA-N 1 0 303.322 0.765 20 5 DCBDRO O=C(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000818946701 671079338 /nfs/dbraw/zinc/07/93/38/671079338.db2.gz FFJHZPNQWLBBEL-AWEZNQCLSA-N 1 0 323.349 0.467 20 5 DCBDRO O=C1CNC(=O)N1CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819041480 671088485 /nfs/dbraw/zinc/08/84/85/671088485.db2.gz VBTLDMNPRFKWNS-GFCCVEGCSA-N 1 0 322.321 0.160 20 5 DCBDRO CC(C)(C)[S@](=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819057362 671090365 /nfs/dbraw/zinc/09/03/65/671090365.db2.gz VLXPWENFBJBGSM-WIUDPPPLSA-N 1 0 318.399 0.289 20 5 DCBDRO O=C1OCCN1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000852722437 671152791 /nfs/dbraw/zinc/15/27/91/671152791.db2.gz FHMVXCRZZJYMKV-UHFFFAOYSA-N 1 0 309.326 0.708 20 5 DCBDRO [NH3+]C[C@@H]1CC(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)=NO1 ZINC000852883592 671185078 /nfs/dbraw/zinc/18/50/78/671185078.db2.gz KRGUKVBSVQTTNX-ZETCQYMHSA-N 1 0 304.266 0.513 20 5 DCBDRO NC(=O)c1cc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000853242426 671223791 /nfs/dbraw/zinc/22/37/91/671223791.db2.gz SFCMRLLQDDMKMN-NWDGAFQWSA-N 1 0 320.349 0.969 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])cc1S(N)(=O)=O ZINC000853824578 671270538 /nfs/dbraw/zinc/27/05/38/671270538.db2.gz KFDYDMYCYVERFZ-UHFFFAOYSA-N 1 0 314.367 0.240 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000827340090 671523641 /nfs/dbraw/zinc/52/36/41/671523641.db2.gz XMGVKGMWFYTQLO-WDEREUQCSA-N 1 0 307.354 0.803 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830865335 671644350 /nfs/dbraw/zinc/64/43/50/671644350.db2.gz MDPBAUDZYHZLGN-MRVWCRGKSA-N 1 0 324.333 0.484 20 5 DCBDRO Cc1cccc([C@@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843090324 672060701 /nfs/dbraw/zinc/06/07/01/672060701.db2.gz WSYILIXDAWKRIT-GJZGRUSLSA-N 1 0 320.349 0.784 20 5 DCBDRO Cn1nccc1[C@H](CO)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843107826 672062376 /nfs/dbraw/zinc/06/23/76/672062376.db2.gz LAEZCHOGTRFYLM-GXTWGEPZSA-N 1 0 306.322 0.685 20 5 DCBDRO O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000843360612 672087215 /nfs/dbraw/zinc/08/72/15/672087215.db2.gz CLFWAUHZZBPFLQ-FICVDOATSA-N 1 0 316.361 0.709 20 5 DCBDRO C[NH+]1CCN(C[C@@H](O)COc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000844943605 672210634 /nfs/dbraw/zinc/21/06/34/672210634.db2.gz TVOZPCUDOXZEJJ-LLVKDONJSA-N 1 0 313.329 0.721 20 5 DCBDRO Cc1csc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001020138910 693709768 /nfs/dbraw/zinc/70/97/68/693709768.db2.gz HOKPRTYKANQFRT-GWOFURMSSA-N 1 0 310.379 0.854 20 5 DCBDRO Cc1ncsc1CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139918 693711004 /nfs/dbraw/zinc/71/10/04/693711004.db2.gz RFMZTXBZGWCGFW-DDHJBXDOSA-N 1 0 324.406 0.896 20 5 DCBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)c1cn(C)nn1 ZINC001691309952 1157637453 /nfs/dbraw/zinc/63/74/53/1157637453.db2.gz FUTXLHIHJWRABX-UHFFFAOYSA-N 1 0 318.337 0.585 20 5 DCBDRO O=C(NCCN1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001566649208 1160110960 /nfs/dbraw/zinc/11/09/60/1160110960.db2.gz LUNVOPJCXDMEMY-HUUCEWRRSA-N 1 0 324.425 0.576 20 5 DCBDRO CC1(C)C[NH2+]C[C@H]1NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC001576473915 1164355990 /nfs/dbraw/zinc/35/59/90/1164355990.db2.gz ZMYHKMQOZWDQRN-GFCCVEGCSA-N 1 0 320.349 0.439 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@@]1(C)C[NH2+]CCO1 ZINC001578426988 1165011663 /nfs/dbraw/zinc/01/16/63/1165011663.db2.gz KONCGARBPRQGSP-OAHLLOKOSA-N 1 0 322.365 0.769 20 5 DCBDRO COc1cc(OCC(=O)N[C@H]2C[NH2+]CC23CC3)ccc1[N+](=O)[O-] ZINC001579170773 1165230828 /nfs/dbraw/zinc/23/08/28/1165230828.db2.gz CSWROCWBMJODFD-ZDUSSCGKSA-N 1 0 321.333 0.850 20 5 DCBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC001579544188 1165342120 /nfs/dbraw/zinc/34/21/20/1165342120.db2.gz QXXKBWRSYULVKR-UWVGGRQHSA-N 1 0 306.278 0.998 20 5 DCBDRO [NH3+][C@]1(CO)CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001580154739 1165522376 /nfs/dbraw/zinc/52/23/76/1165522376.db2.gz LODREOWXOKWZJO-OAHLLOKOSA-N 1 0 322.365 0.709 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCCCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001580397651 1165594124 /nfs/dbraw/zinc/59/41/24/1165594124.db2.gz USCKXFYEFOPSBV-VHSXEESVSA-N 1 0 303.322 0.867 20 5 DCBDRO C[C@@H](CCNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-])[NH+](C)C ZINC001589833062 1166695082 /nfs/dbraw/zinc/69/50/82/1166695082.db2.gz IAKIAJXXZUKNIN-QMMMGPOBSA-N 1 0 306.330 0.922 20 5 DCBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1)C[NH+](C)C ZINC001589876969 1166705048 /nfs/dbraw/zinc/70/50/48/1166705048.db2.gz BAQRLGLTDWZPEH-QMMMGPOBSA-N 1 0 320.357 0.967 20 5 DCBDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590322961 1166866492 /nfs/dbraw/zinc/86/64/92/1166866492.db2.gz DWOWTPXQZHAPJO-GZMMTYOYSA-N 1 0 304.310 0.899 20 5 DCBDRO CCC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[NH2+]1 ZINC001590569472 1166946053 /nfs/dbraw/zinc/94/60/53/1166946053.db2.gz SBMMKKISYKKQJP-SECBINFHSA-N 1 0 318.341 0.748 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNc1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001591012641 1167078950 /nfs/dbraw/zinc/07/89/50/1167078950.db2.gz SPFOFWABJKNWCV-CYBMUJFWSA-N 1 0 321.341 0.499 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001591168124 1167122142 /nfs/dbraw/zinc/12/21/42/1167122142.db2.gz GCYVFMXQQSXAFT-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CSCC[NH2+]1 ZINC001593465470 1167855083 /nfs/dbraw/zinc/85/50/83/1167855083.db2.gz PWBNDZHOKQCKJX-SSDOTTSWSA-N 1 0 322.354 0.287 20 5 DCBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC001593475956 1167863040 /nfs/dbraw/zinc/86/30/40/1167863040.db2.gz HIIFVDJXNUQKQL-IUCAKERBSA-N 1 0 301.310 0.431 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCC[N@H+]1CC[C@H](O)C1 ZINC001593483350 1167866900 /nfs/dbraw/zinc/86/69/00/1167866900.db2.gz NZPVRRAXXSOVPS-VIFPVBQESA-N 1 0 319.325 0.253 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1CCC[C@@H](O)C1 ZINC001593483048 1167868977 /nfs/dbraw/zinc/86/89/77/1167868977.db2.gz SKAGSZHLWDSKKP-SECBINFHSA-N 1 0 304.310 0.732 20 5 DCBDRO COCC[N@H+](C)CCNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605095157 1169821324 /nfs/dbraw/zinc/82/13/24/1169821324.db2.gz ZDHUHRRRJIGBTQ-UHFFFAOYSA-N 1 0 321.341 0.765 20 5 DCBDRO O=[N+]([O-])c1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1-c1nn[nH]n1 ZINC001607078890 1170382900 /nfs/dbraw/zinc/38/29/00/1170382900.db2.gz QWSNEAPRPNVYPX-RKDXNWHRSA-N 1 0 301.310 0.431 20 5 DCBDRO C[C@@H](C[NH+](C)C)Nc1cc(N)c([N+](=O)[O-])c(-c2nn[nH]n2)c1 ZINC001609374530 1170955195 /nfs/dbraw/zinc/95/51/95/1170955195.db2.gz FEMWLTHKYNFIMT-ZETCQYMHSA-N 1 0 306.330 0.719 20 5 DCBDRO C[C@@](CO)([NH2+]CC[C@H]1CCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC001620495449 1171404401 /nfs/dbraw/zinc/40/44/01/1171404401.db2.gz OYKRKJJJXMMKCC-ABAIWWIYSA-N 1 0 307.350 0.918 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001637266145 1171761767 /nfs/dbraw/zinc/76/17/67/1171761767.db2.gz OFOARTAKMAVPMX-MNOVXSKESA-N 1 0 305.338 0.881 20 5 DCBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC001643003885 1171961951 /nfs/dbraw/zinc/96/19/51/1171961951.db2.gz WVRXHSACLYSYHA-JTQLQIEISA-N 1 0 311.313 0.839 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001643317233 1171971931 /nfs/dbraw/zinc/97/19/31/1171971931.db2.gz XHFCZNWNUHAEGS-SWLSCSKDSA-N 1 0 322.365 0.936 20 5 DCBDRO Cn1ncc2c1CCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2 ZINC001643410162 1171975286 /nfs/dbraw/zinc/97/52/86/1171975286.db2.gz HKKPATDVXXUDHH-CYBMUJFWSA-N 1 0 320.353 0.334 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001643803137 1171987067 /nfs/dbraw/zinc/98/70/67/1171987067.db2.gz KWPKSRHZQXPIPY-WCQYABFASA-N 1 0 320.349 0.579 20 5 DCBDRO CN1C(=O)[C@H]2C[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]2C1=O ZINC001644189553 1171999089 /nfs/dbraw/zinc/99/90/89/1171999089.db2.gz AMTMXJVQLAHEPF-FRRDWIJNSA-N 1 0 319.317 0.175 20 5 DCBDRO O=C(CN1C[C@H](CO)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001655396710 1173819293 /nfs/dbraw/zinc/81/92/93/1173819293.db2.gz ZRERXJDVUDUBFV-PHIMTYICSA-N 1 0 309.322 0.066 20 5 DCBDRO C[C@@](CO)([NH2+]C[C@H](O)Cn1cccn1)c1cccc([N+](=O)[O-])c1 ZINC001659768558 1173935596 /nfs/dbraw/zinc/93/55/96/1173935596.db2.gz HLIDQDGWFQOLTM-GJZGRUSLSA-N 1 0 320.349 0.650 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C[C@](C)(CO)OC)c1[N+](=O)[O-] ZINC001660149311 1173950403 /nfs/dbraw/zinc/95/04/03/1173950403.db2.gz RQASFNLJHVONDB-CYBMUJFWSA-N 1 0 300.311 0.796 20 5 DCBDRO CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cn(C)nc1C ZINC001660525294 1174003809 /nfs/dbraw/zinc/00/38/09/1174003809.db2.gz RZXLXVVWHNOQMO-ZIAGYGMSSA-N 1 0 323.397 0.722 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C[C@@]2(O)CCO[C@@H]2C)c1[N+](=O)[O-] ZINC001664483320 1174435248 /nfs/dbraw/zinc/43/52/48/1174435248.db2.gz HLXSWIJYTTWXNH-OTYXRUKQSA-N 1 0 312.322 0.939 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C[C@]2(O)CCO[C@@H]2C)c1[N+](=O)[O-] ZINC001664483322 1174435582 /nfs/dbraw/zinc/43/55/82/1174435582.db2.gz HLXSWIJYTTWXNH-YMTOWFKASA-N 1 0 312.322 0.939 20 5 DCBDRO CC[N@H+](C)CCC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001690129973 1177177943 /nfs/dbraw/zinc/17/79/43/1177177943.db2.gz UXEYKAIGJPRRIB-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO CCn1nnc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699506077 1178170506 /nfs/dbraw/zinc/17/05/06/1178170506.db2.gz DKWCLLLQUFPFAR-VXGBXAGGSA-N 1 0 324.385 0.210 20 5 DCBDRO O=C(C(F)F)N(CCO)CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001724661830 1184499103 /nfs/dbraw/zinc/49/91/03/1184499103.db2.gz QOUFZMISNVEKBL-UHFFFAOYSA-N 1 0 317.292 0.770 20 5 DCBDRO CN(C[C@@H](O)C[NH3+])C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1F ZINC001578442236 1165018964 /nfs/dbraw/zinc/01/89/64/1165018964.db2.gz QBHYYRPCIBBJJQ-JTQLQIEISA-N 1 0 313.329 0.790 20 5 DCBDRO O=C(NCC[NH2+]CCc1ccc2c(c1)CCO2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938746 750151647 /nfs/dbraw/zinc/15/16/47/750151647.db2.gz JFQJVFPTUUFRAA-ZIAGYGMSSA-N 1 0 319.361 0.535 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC001165438194 757321509 /nfs/dbraw/zinc/32/15/09/757321509.db2.gz XTJCNORSACMFHL-VIFPVBQESA-N 1 0 300.702 0.594 20 5 DCBDRO COc1ccc(C[C@H](C)[NH2+]C[C@H]2CNC(=O)CO2)c([N+](=O)[O-])c1 ZINC001170304886 762597368 /nfs/dbraw/zinc/59/73/68/762597368.db2.gz HIXOURMJVPPPDI-GWCFXTLKSA-N 1 0 323.349 0.639 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1cncs1 ZINC001155208435 759639148 /nfs/dbraw/zinc/63/91/48/759639148.db2.gz MQPBPPRFLSXNBU-UHFFFAOYSA-N 1 0 324.366 0.695 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC001086082551 759691380 /nfs/dbraw/zinc/69/13/80/759691380.db2.gz TZTHUPWGENIIBA-LYIQGSDWSA-N 1 0 308.338 0.633 20 5 DCBDRO Cc1ncc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001086363120 760101642 /nfs/dbraw/zinc/10/16/42/760101642.db2.gz CPSWSZHBMVDORX-FPQZTECRSA-N 1 0 308.338 0.633 20 5 DCBDRO [NH3+]CCN(CCO)c1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001155953209 760261345 /nfs/dbraw/zinc/26/13/45/760261345.db2.gz IZVHNPACAODRBZ-UHFFFAOYSA-N 1 0 303.322 0.809 20 5 DCBDRO CC[NH+](CC)CC(=O)NCCN(C)c1ccc([N+](=O)[O-])cn1 ZINC001100121297 760377523 /nfs/dbraw/zinc/37/75/23/760377523.db2.gz QVNIYSKGFRUDLT-UHFFFAOYSA-N 1 0 309.370 0.884 20 5 DCBDRO [NH3+]Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168959197 760531745 /nfs/dbraw/zinc/53/17/45/760531745.db2.gz UOEHTCPLBLRSLV-RYUDHWBXSA-N 1 0 313.379 0.869 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1-n1nc(CC[NH3+])nc1C ZINC001168989097 760545830 /nfs/dbraw/zinc/54/58/30/760545830.db2.gz HOXWNJKGRSHPOH-UHFFFAOYSA-N 1 0 306.282 0.167 20 5 DCBDRO O=C1CC2(CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC(=O)N1 ZINC001169039589 760555958 /nfs/dbraw/zinc/55/59/58/760555958.db2.gz REDMUPXYGJRZBY-NWDGAFQWSA-N 1 0 309.366 0.951 20 5 DCBDRO CS(=O)(=O)N([C@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]C1 ZINC001169041742 760557078 /nfs/dbraw/zinc/55/70/78/760557078.db2.gz CHEGKBOAJYLVPB-SDDRHHMPSA-N 1 0 305.400 0.445 20 5 DCBDRO COCCN1C[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)C[C@@H]2C1=O ZINC001169020119 760559618 /nfs/dbraw/zinc/55/96/18/760559618.db2.gz IMUSWIWNWZKRKV-SYQHCUMBSA-N 1 0 311.382 0.468 20 5 DCBDRO NC(=O)c1ccnc(-n2ncc3c2cccc3C[NH3+])c1[N+](=O)[O-] ZINC001169189626 760600990 /nfs/dbraw/zinc/60/09/90/760600990.db2.gz ZOMMDXLRVMFVEL-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO CCOC(=O)C1(Nc2ncc([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC001169490857 760708621 /nfs/dbraw/zinc/70/86/21/760708621.db2.gz LCKYZJQKEXKPQZ-UHFFFAOYSA-N 1 0 309.326 0.824 20 5 DCBDRO COC(=O)c1cc(C)nc(N[C@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170777601 765717394 /nfs/dbraw/zinc/71/73/94/765717394.db2.gz IPMSUYJQJOXUIO-SCZZXKLOSA-N 1 0 310.310 0.077 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CC1 ZINC001135900263 766157493 /nfs/dbraw/zinc/15/74/93/766157493.db2.gz GJLKBQVEGBUGLH-UHFFFAOYSA-N 1 0 320.349 0.327 20 5 DCBDRO COCC1(c2nc(-c3c([N+](=O)[O-])ncn3C)no2)CC[NH2+]CC1 ZINC001118102867 766223048 /nfs/dbraw/zinc/22/30/48/766223048.db2.gz LUNDLWOXDBEXOG-UHFFFAOYSA-N 1 0 322.325 0.646 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001118195121 766253030 /nfs/dbraw/zinc/25/30/30/766253030.db2.gz GNTSVMCYVNRMGN-WDEREUQCSA-N 1 0 308.338 0.485 20 5 DCBDRO COc1ccc(CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001118864942 766452459 /nfs/dbraw/zinc/45/24/59/766452459.db2.gz HGXZUGRXICASAN-SECBINFHSA-N 1 0 324.337 0.025 20 5 DCBDRO C[N@H+](CCNc1c2c(ccc1[N+](=O)[O-])NCC2)CCOCCO ZINC001119344286 766638114 /nfs/dbraw/zinc/63/81/14/766638114.db2.gz JCRLHZQTFLXTCS-UHFFFAOYSA-N 1 0 324.381 0.915 20 5 DCBDRO CN(CC1CC[NH2+]CC1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC001122564026 767833216 /nfs/dbraw/zinc/83/32/16/767833216.db2.gz LTGFYAUOUWJWSZ-UHFFFAOYSA-N 1 0 309.370 0.984 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(N2CCOCC2)c1 ZINC001234000006 769518214 /nfs/dbraw/zinc/51/82/14/769518214.db2.gz HOKBCPCSJPWUHC-OAHLLOKOSA-N 1 0 323.413 0.886 20 5 DCBDRO CCOC(=O)CNC(=O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173214616 769569136 /nfs/dbraw/zinc/56/91/36/769569136.db2.gz CWHUZZNNAATDMR-LLVKDONJSA-N 1 0 323.349 0.795 20 5 DCBDRO NC(=O)CCCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001153455633 769817293 /nfs/dbraw/zinc/81/72/93/769817293.db2.gz MLPYDEJHKQLACV-UHFFFAOYSA-N 1 0 308.338 0.456 20 5 DCBDRO CNc1nccc(C(=O)N[C@@H]2C[NH+]3CCC2CC3)c1[N+](=O)[O-] ZINC001176467510 770108797 /nfs/dbraw/zinc/10/87/97/770108797.db2.gz PWNCWDKLTTXRKH-LLVKDONJSA-N 1 0 305.338 0.856 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC001176902010 770242812 /nfs/dbraw/zinc/24/28/12/770242812.db2.gz FCKFFAYEWFCEKC-GHMZBOCLSA-N 1 0 305.338 0.881 20 5 DCBDRO Cc1ccnc(CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)n1 ZINC001154826327 770308693 /nfs/dbraw/zinc/30/86/93/770308693.db2.gz BSMWYCFYDHUERY-UHFFFAOYSA-N 1 0 301.310 0.782 20 5 DCBDRO C[NH+](C)C[C@H]1COCCN1c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-] ZINC001154974901 770357901 /nfs/dbraw/zinc/35/79/01/770357901.db2.gz ALAQCKAFZOIBBQ-VIFPVBQESA-N 1 0 316.745 0.648 20 5 DCBDRO COC(=O)[C@H]([NH3+])C1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC001155151364 770413171 /nfs/dbraw/zinc/41/31/71/770413171.db2.gz CMXXITYFLOTQSR-LLVKDONJSA-N 1 0 312.301 0.846 20 5 DCBDRO Cc1cc(Cl)nc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)c1[N+](=O)[O-] ZINC001155570243 770547508 /nfs/dbraw/zinc/54/75/08/770547508.db2.gz LJZUHYDQPVQMDB-JVXZTZIISA-N 1 0 311.729 0.942 20 5 DCBDRO Cc1nonc1CNc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001156085426 770717218 /nfs/dbraw/zinc/71/72/18/770717218.db2.gz YYIMOEHKYDTTPT-UHFFFAOYSA-N 1 0 320.313 0.098 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1ncnc2cc([N+](=O)[O-])ccc21 ZINC001156829888 770938275 /nfs/dbraw/zinc/93/82/75/770938275.db2.gz WXXJBJPDKDRDLE-UHFFFAOYSA-N 1 0 311.305 0.970 20 5 DCBDRO CCNC(=O)CC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001156857478 770945463 /nfs/dbraw/zinc/94/54/63/770945463.db2.gz PROFMZODBOIKHR-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccc(CC[NH3+])n2)n1 ZINC001156905288 770960584 /nfs/dbraw/zinc/96/05/84/770960584.db2.gz ORTKDSPMNDGJQB-UHFFFAOYSA-N 1 0 305.298 0.339 20 5 DCBDRO COC(=O)c1cnc(NC(=N)NCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001157094731 771532959 /nfs/dbraw/zinc/53/29/59/771532959.db2.gz VDFJNKBEQQJEIS-UHFFFAOYSA-N 1 0 310.314 0.452 20 5 DCBDRO O=C1CC(CNc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])C1 ZINC001157605988 771640570 /nfs/dbraw/zinc/64/05/70/771640570.db2.gz QKPDRNFKTDQLDZ-UHFFFAOYSA-N 1 0 306.326 0.185 20 5 DCBDRO CCCn1c(C)nnc1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761580 771665093 /nfs/dbraw/zinc/66/50/93/771665093.db2.gz SFMWVVOYZPQENX-VXGBXAGGSA-N 1 0 324.385 0.258 20 5 DCBDRO CCOc1nc(-n2cncc2C[C@@H]([NH3+])CO)ccc1[N+](=O)[O-] ZINC001158206658 771740845 /nfs/dbraw/zinc/74/08/45/771740845.db2.gz WYHBSZYYMARGOU-SECBINFHSA-N 1 0 307.310 0.436 20 5 DCBDRO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC(N2CC[C@@H]([NH3+])C2)CC1 ZINC001158263149 771750028 /nfs/dbraw/zinc/75/00/28/771750028.db2.gz ZUVLXIRUIZCMQZ-GFCCVEGCSA-N 1 0 321.381 0.538 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001158640562 771799909 /nfs/dbraw/zinc/79/99/09/771799909.db2.gz HAQWWNHRBKJXTL-RISCZKNCSA-N 1 0 321.337 0.303 20 5 DCBDRO CC(C)(C(N)=O)C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001160403093 772032414 /nfs/dbraw/zinc/03/24/14/772032414.db2.gz PZLMZPJMWISHEX-UHFFFAOYSA-N 1 0 322.365 0.702 20 5 DCBDRO C[C@H]1COCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1 ZINC001186881477 772100595 /nfs/dbraw/zinc/10/05/95/772100595.db2.gz STATZEHXBJQNOR-JTQLQIEISA-N 1 0 322.369 0.657 20 5 DCBDRO CCOc1cc(N(CC[NH3+])S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC001162130652 772330648 /nfs/dbraw/zinc/33/06/48/772330648.db2.gz DYUUJGFMBRKYHI-UHFFFAOYSA-N 1 0 303.340 0.718 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@@H]2COCCC23C[NH2+]C3)n1 ZINC001163069455 772453379 /nfs/dbraw/zinc/45/33/79/772453379.db2.gz ORGFXMWQYLIYTJ-LLVKDONJSA-N 1 0 322.321 0.567 20 5 DCBDRO CCOc1cnc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163239921 772488121 /nfs/dbraw/zinc/48/81/21/772488121.db2.gz WFRGZFDLTLQUFD-MFKMUULPSA-N 1 0 307.310 0.379 20 5 DCBDRO COc1cc([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc1F ZINC001163253524 772492986 /nfs/dbraw/zinc/49/29/86/772492986.db2.gz ZYMUFCAZKOEOOX-DGCLKSJQSA-N 1 0 310.285 0.733 20 5 DCBDRO CN(C)c1ccc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)c([N+](=O)[O-])c1 ZINC001163254244 772493652 /nfs/dbraw/zinc/49/36/52/772493652.db2.gz QDZCDISGHIPESA-TZMCWYRMSA-N 1 0 305.338 0.651 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)n1 ZINC001163336397 772507786 /nfs/dbraw/zinc/50/77/86/772507786.db2.gz PCZSVUZUXHTXGS-QRTLGDNMSA-N 1 0 308.294 0.318 20 5 DCBDRO C[C@H](C[NH+](C)C)Nc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC001163778834 772569913 /nfs/dbraw/zinc/56/99/13/772569913.db2.gz OSWULYATUUHOOH-SNVBAGLBSA-N 1 0 310.358 0.583 20 5 DCBDRO Nc1nc(N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)ncc1[N+](=O)[O-] ZINC001164124249 772614519 /nfs/dbraw/zinc/61/45/19/772614519.db2.gz GUKIZXQROBOBSA-SCZZXKLOSA-N 1 0 310.383 0.959 20 5 DCBDRO O=C(NCCC1(C[NH2+]Cc2ccon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001164490717 772667898 /nfs/dbraw/zinc/66/78/98/772667898.db2.gz TVHLNTDKANKDNP-VXGBXAGGSA-N 1 0 308.338 0.716 20 5 DCBDRO Cc1cc(Cl)nc(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c1[N+](=O)[O-] ZINC001165283605 772717274 /nfs/dbraw/zinc/71/72/74/772717274.db2.gz DLEZVBCJNMSPRC-RNCFNFMXSA-N 1 0 312.757 0.970 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC001191123211 772722954 /nfs/dbraw/zinc/72/29/54/772722954.db2.gz GTLILAZWSJMONB-VIFPVBQESA-N 1 0 300.340 0.220 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N2CCO[C@@H](C[NH3+])C2)n1 ZINC001166938054 772884274 /nfs/dbraw/zinc/88/42/74/772884274.db2.gz LCYLSOSISWGULP-LURJTMIESA-N 1 0 319.774 0.924 20 5 DCBDRO COc1cc2ncnc(N3CCO[C@@H](C[NH3+])C3)c2cc1[N+](=O)[O-] ZINC001166940448 772884979 /nfs/dbraw/zinc/88/49/79/772884979.db2.gz GUIABTZVKQYAKV-VIFPVBQESA-N 1 0 319.321 0.711 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(Cl)nc(C)c1[N+](=O)[O-] ZINC001166961480 772890084 /nfs/dbraw/zinc/89/00/84/772890084.db2.gz KVEKDNZEFCPMSJ-RQJHMYQMSA-N 1 0 315.717 0.426 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1ncc([N+](=O)[O-])cc1Cl ZINC001166962009 772890341 /nfs/dbraw/zinc/89/03/41/772890341.db2.gz RIDRZLYCPIZZKL-MUWHJKNJSA-N 1 0 300.702 0.722 20 5 DCBDRO CS(=O)(=O)N(c1ncc([N+](=O)[O-])c2ccccc21)C1C[NH2+]C1 ZINC001166968145 772892627 /nfs/dbraw/zinc/89/26/27/772892627.db2.gz IOACTHVMGXUMSF-UHFFFAOYSA-N 1 0 322.346 0.881 20 5 DCBDRO O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)N1 ZINC001193977467 773134458 /nfs/dbraw/zinc/13/44/58/773134458.db2.gz RJGJVUQJQACDKT-ZDUSSCGKSA-N 1 0 305.294 0.164 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc(-c2cccnc2)no1 ZINC001224231014 775546264 /nfs/dbraw/zinc/54/62/64/775546264.db2.gz HIWWGDPCOUZZDG-GFCCVEGCSA-N 1 0 321.357 0.632 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCCO[C@H]1CCCCO1 ZINC001224527848 775577061 /nfs/dbraw/zinc/57/70/61/775577061.db2.gz DQFNKFWVAXCSRQ-HIFRSBDPSA-N 1 0 304.407 0.920 20 5 DCBDRO CCOC(=O)[C@](C)(CCO[C@@H](C)C[N+](C)(C)C)S(C)(=O)=O ZINC001225070573 775639953 /nfs/dbraw/zinc/63/99/53/775639953.db2.gz CPBNRKXGCBYUTB-JSGCOSHPSA-N 1 0 324.463 0.854 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001226442466 775817375 /nfs/dbraw/zinc/81/73/75/775817375.db2.gz BZRXCNNQCQQSHB-SNVBAGLBSA-N 1 0 313.330 0.966 20 5 DCBDRO CCOC(=O)c1cncc(OC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001228557473 776095420 /nfs/dbraw/zinc/09/54/20/776095420.db2.gz BUQJKWYJDMAGLT-GFCCVEGCSA-N 1 0 311.358 0.621 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1ccnc(OC)c1 ZINC001266390603 939103532 /nfs/dbraw/zinc/10/35/32/939103532.db2.gz DJWUFJXSYQWQGG-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO CCN(CC[NH2+]CCc1cnn(C)c1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001268450153 940126803 /nfs/dbraw/zinc/12/68/03/940126803.db2.gz QSIGUFMURBZBCA-CHWSQXEVSA-N 1 0 309.370 0.066 20 5 DCBDRO O=C(NCC1([NH2+]CCOc2ccccc2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001269411699 940702578 /nfs/dbraw/zinc/70/25/78/940702578.db2.gz PYODLARZCUAWOB-ZIAGYGMSSA-N 1 0 319.361 0.969 20 5 DCBDRO O=C1C[C@@H]2[NH2+]CC[C@@]2(N[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)N1 ZINC001246155002 945350256 /nfs/dbraw/zinc/35/02/56/945350256.db2.gz WGZCQMSLUJDERC-CORIIIEPSA-N 1 0 302.334 0.230 20 5 DCBDRO Cc1ccncc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001277054396 944641665 /nfs/dbraw/zinc/64/16/65/944641665.db2.gz DQZXKBXPWKOSQW-CHWSQXEVSA-N 1 0 304.350 0.794 20 5 DCBDRO COc1ccc(C[C@H](C)N2C[C@@H](O)[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246582359 945436222 /nfs/dbraw/zinc/43/62/22/945436222.db2.gz XALICRNAWAAAKH-ITDIGPHOSA-N 1 0 309.366 0.786 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246857722 945507607 /nfs/dbraw/zinc/50/76/07/945507607.db2.gz VOUSJDWVSDYQCP-RISCZKNCSA-N 1 0 307.350 0.973 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001246857720 945508469 /nfs/dbraw/zinc/50/84/69/945508469.db2.gz VOUSJDWVSDYQCP-FZMZJTMJSA-N 1 0 307.350 0.973 20 5 DCBDRO CC(=O)NCC(=O)NC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001320956427 946081686 /nfs/dbraw/zinc/08/16/86/946081686.db2.gz KWQJBROWDUOICP-IHWYPQMZSA-N 1 0 320.349 0.493 20 5 DCBDRO [NH3+]CCN(CCO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464911 946396277 /nfs/dbraw/zinc/39/62/77/946396277.db2.gz NJKQKULNMRKIFI-UHFFFAOYSA-N 1 0 308.382 0.817 20 5 DCBDRO COC(=O)CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(N)=O ZINC001254542755 946407004 /nfs/dbraw/zinc/40/70/04/946407004.db2.gz APJPZHZMAHNCSK-PWSUYJOCSA-N 1 0 323.349 0.923 20 5 DCBDRO C[C@]1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC(=O)NC1=O ZINC001254577042 946410102 /nfs/dbraw/zinc/41/01/02/946410102.db2.gz BSJPULAAECWLRL-ABAIWWIYSA-N 1 0 303.318 0.847 20 5 DCBDRO CC(=O)OC[C@@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001462576957 1013073981 /nfs/dbraw/zinc/07/39/81/1013073981.db2.gz SGHRXVYXGLBXGZ-OWYVNGRQSA-N 1 0 312.322 0.530 20 5 DCBDRO C[NH2+]CCCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325424213 947790931 /nfs/dbraw/zinc/79/09/31/947790931.db2.gz TXUDHODXLRGNKP-UHFFFAOYSA-N 1 0 306.322 0.163 20 5 DCBDRO [NH3+][C@H](CC(F)F)C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001326038317 948029778 /nfs/dbraw/zinc/02/97/78/948029778.db2.gz OFRBLSKJXDXDDC-SECBINFHSA-N 1 0 317.296 0.937 20 5 DCBDRO CN(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001326155618 948077070 /nfs/dbraw/zinc/07/70/70/948077070.db2.gz FKUUMUHWXGTKEK-BFHYXJOUSA-N 1 0 311.386 0.615 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC001326181502 948085081 /nfs/dbraw/zinc/08/50/81/948085081.db2.gz ZDVPSNGWSZUVML-UHFFFAOYSA-N 1 0 307.354 0.844 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001329611330 949715903 /nfs/dbraw/zinc/71/59/03/949715903.db2.gz BBTIYSXDULBUNP-LLVKDONJSA-N 1 0 322.365 0.401 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001329611653 949716788 /nfs/dbraw/zinc/71/67/88/949716788.db2.gz FCCIDPGRCYYTJT-VIFPVBQESA-N 1 0 306.322 0.243 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2CCn3cncc3C2)c1[N+](=O)[O-] ZINC001331479667 951137365 /nfs/dbraw/zinc/13/73/65/951137365.db2.gz WQJZXGQGZXIXAU-VIFPVBQESA-N 1 0 304.310 0.578 20 5 DCBDRO O=C(NCC=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1nnc[nH]1 ZINC001274448525 951639059 /nfs/dbraw/zinc/63/90/59/951639059.db2.gz RABRCSSYNDRKSF-OWOJBTEDSA-N 1 0 316.321 0.789 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC001333615661 952115633 /nfs/dbraw/zinc/11/56/33/952115633.db2.gz URZMYARCPBHUHJ-NEPJUHHUSA-N 1 0 320.349 0.597 20 5 DCBDRO NC(=O)CN1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001335344852 952523644 /nfs/dbraw/zinc/52/36/44/952523644.db2.gz HCTRFNOFQZUUNS-AWEZNQCLSA-N 1 0 322.365 0.168 20 5 DCBDRO Nc1cc(N2CC[NH+](C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC001337885615 952926183 /nfs/dbraw/zinc/92/61/83/952926183.db2.gz TXSDCDRSXJPBPH-UHFFFAOYSA-N 1 0 307.354 0.873 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2CC[C@@H]([NH+](C)C)C[C@@H]2C1 ZINC001339666217 953110932 /nfs/dbraw/zinc/11/09/32/953110932.db2.gz LKIHKEGNWMDMAK-QJPTWQEYSA-N 1 0 308.386 0.758 20 5 DCBDRO O=C(N[C@@H]1COC2(C[NH2+]C2)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341368422 953225986 /nfs/dbraw/zinc/22/59/86/953225986.db2.gz MWWJQEAVDUDADO-FPMFFAJLSA-N 1 0 317.345 0.945 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001341458020 953231871 /nfs/dbraw/zinc/23/18/71/953231871.db2.gz ZRDLBOBUJNAJOS-LLVKDONJSA-N 1 0 324.385 0.084 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])cnc1C ZINC001341574253 953238836 /nfs/dbraw/zinc/23/88/36/953238836.db2.gz QOFVUKSHHODVJY-LLVKDONJSA-N 1 0 308.338 0.749 20 5 DCBDRO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001345189586 953609652 /nfs/dbraw/zinc/60/96/52/953609652.db2.gz AUUQUKGFGFPUFJ-LBPRGKRZSA-N 1 0 318.333 0.305 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC001348305866 954259337 /nfs/dbraw/zinc/25/93/37/954259337.db2.gz AGPWUUYDJUNLJH-VIFPVBQESA-N 1 0 324.337 0.025 20 5 DCBDRO O=C(NCC[NH2+]C1CC1)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001348575351 954369310 /nfs/dbraw/zinc/36/93/10/954369310.db2.gz WVBOFJKDCDMKTD-UHFFFAOYSA-N 1 0 320.349 0.122 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)Cn3ccc(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC001348971318 954552717 /nfs/dbraw/zinc/55/27/17/954552717.db2.gz TUHVBNVSVIDPQH-RYUDHWBXSA-N 1 0 320.349 0.309 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)n3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC001353286908 956005933 /nfs/dbraw/zinc/00/59/33/956005933.db2.gz YWADLRCOPRGMSX-UHTWSYAYSA-N 1 0 321.381 0.983 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC001353392330 956044362 /nfs/dbraw/zinc/04/43/62/956044362.db2.gz LZRHZBHFWFUQSE-AWEZNQCLSA-N 1 0 322.365 0.767 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)CCO1 ZINC001353612629 956121628 /nfs/dbraw/zinc/12/16/28/956121628.db2.gz FORZYOOHZUXIKV-MCIONIFRSA-N 1 0 305.334 0.884 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)CC1 ZINC001293997593 957460811 /nfs/dbraw/zinc/46/08/11/957460811.db2.gz UPZAWRPMOYDSKB-UHFFFAOYSA-N 1 0 317.733 0.158 20 5 DCBDRO COC(=O)[C@]1(O)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001308034498 960163241 /nfs/dbraw/zinc/16/32/41/960163241.db2.gz REFMTTBBAMIIHF-HNNXBMFYSA-N 1 0 324.333 0.974 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2N)C1 ZINC001448858302 1014073685 /nfs/dbraw/zinc/07/36/85/1014073685.db2.gz NGLVRPPNPOTMFK-HNNXBMFYSA-N 1 0 322.365 0.706 20 5 DCBDRO CNc1ccc(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC001528679387 1014381739 /nfs/dbraw/zinc/38/17/39/1014381739.db2.gz FKVKXIXLPNYWGJ-HNNXBMFYSA-N 1 0 322.365 0.775 20 5 DCBDRO Cn1cc(C[NH+]2CCC(CCO)(CCO)CC2)c([N+](=O)[O-])n1 ZINC001473714354 1016960382 /nfs/dbraw/zinc/96/03/82/1016960382.db2.gz DFOKOXQKRRZDDQ-UHFFFAOYSA-N 1 0 312.370 0.675 20 5 DCBDRO CN1CCC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001474699545 1017028042 /nfs/dbraw/zinc/02/80/42/1017028042.db2.gz MQOKKJDWNPGNFX-NWANDNLSSA-N 1 0 309.366 0.673 20 5 DCBDRO CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001477127673 1017255999 /nfs/dbraw/zinc/25/59/99/1017255999.db2.gz OKEXEHQZZXVACR-JTQLQIEISA-N 1 0 321.337 0.909 20 5 DCBDRO Cc1cc(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)c(N)c([N+](=O)[O-])c1 ZINC001558042615 1012316960 /nfs/dbraw/zinc/31/69/60/1012316960.db2.gz FNKPUTORQXSGMO-OAHLLOKOSA-N 1 0 322.365 0.624 20 5 DCBDRO COC(=O)c1ccnc(N(C)CC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC001559236792 1012410251 /nfs/dbraw/zinc/41/02/51/1012410251.db2.gz SKUPZDFSBLPWHX-UHFFFAOYSA-N 1 0 312.326 0.137 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCC(CO)(CO)CC2)cc1 ZINC001560128463 1012439663 /nfs/dbraw/zinc/43/96/63/1012439663.db2.gz GADYLKACYGVMEM-AWEZNQCLSA-N 1 0 310.350 0.695 20 5 DCBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C1(C)C ZINC001459949030 1012841506 /nfs/dbraw/zinc/84/15/06/1012841506.db2.gz GSWMDPSQPOBFTJ-BXUZGUMPSA-N 1 0 312.370 0.984 20 5 DCBDRO C[NH+](C)[C@@]1(CNC(=O)Cn2ccc([N+](=O)[O-])n2)CCSC1 ZINC000267115590 282229515 /nfs/dbraw/zinc/22/95/15/282229515.db2.gz ONPIHRJKXDKXJJ-GFCCVEGCSA-N 1 0 313.383 0.345 20 5 DCBDRO NC(=O)c1ccc(NCC2CC[NH+](CCO)CC2)c([N+](=O)[O-])c1 ZINC000108947167 185542125 /nfs/dbraw/zinc/54/21/25/185542125.db2.gz KKPJJQWTJUHIBM-UHFFFAOYSA-N 1 0 322.365 0.810 20 5 DCBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000111304310 185578410 /nfs/dbraw/zinc/57/84/10/185578410.db2.gz AUHMUSATEXMXEL-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331028658 232373778 /nfs/dbraw/zinc/37/37/78/232373778.db2.gz RAOHPWPQKMYRBB-JTQLQIEISA-N 1 0 310.354 0.840 20 5 DCBDRO COC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180418034 199156263 /nfs/dbraw/zinc/15/62/63/199156263.db2.gz HOXNDDARJPZFOY-VHSXEESVSA-N 1 0 309.322 0.923 20 5 DCBDRO CN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC1([NH+](C)C)CCC1 ZINC000186972823 237333073 /nfs/dbraw/zinc/33/30/73/237333073.db2.gz FUMBEMLCBCVLMY-ZDUSSCGKSA-N 1 0 311.386 0.568 20 5 DCBDRO [NH3+]CCn1cc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000315976393 291253962 /nfs/dbraw/zinc/25/39/62/291253962.db2.gz ZBYSXAYTBWHNLT-UHFFFAOYSA-N 1 0 304.310 0.118 20 5 DCBDRO CN(CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000316698502 291254630 /nfs/dbraw/zinc/25/46/30/291254630.db2.gz PLSKCOMDKPQRKQ-CQSZACIVSA-N 1 0 311.386 0.616 20 5 DCBDRO [NH3+]C1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)CC1 ZINC000566854060 291326051 /nfs/dbraw/zinc/32/60/51/291326051.db2.gz OWNHWKZTUBXPGK-UHFFFAOYSA-N 1 0 307.306 0.929 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420067707 240014471 /nfs/dbraw/zinc/01/44/71/240014471.db2.gz SVSWDKMEEFDUFF-GFCCVEGCSA-N 1 0 320.349 0.407 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000423712287 240241612 /nfs/dbraw/zinc/24/16/12/240241612.db2.gz CWYMDWXHLJZLEQ-LBPRGKRZSA-N 1 0 306.366 0.845 20 5 DCBDRO O=C(/C=C/c1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCO1 ZINC000493813486 241161047 /nfs/dbraw/zinc/16/10/47/241161047.db2.gz CSVOELRGGKNHQB-KMOQFTEPSA-N 1 0 309.297 0.852 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)n1 ZINC000567612214 291364364 /nfs/dbraw/zinc/36/43/64/291364364.db2.gz DGGGFWXEYUMOMT-QMMMGPOBSA-N 1 0 303.269 0.538 20 5 DCBDRO COc1ccc(CC(=O)N2CCCO[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000567842407 291383998 /nfs/dbraw/zinc/38/39/98/291383998.db2.gz MNBRFCDOZIYPTC-GFCCVEGCSA-N 1 0 323.349 0.722 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2c3ccccc3C[C@H]2O)c1 ZINC000567874326 291386932 /nfs/dbraw/zinc/38/69/32/291386932.db2.gz LSPAHRISZDBLQM-CFVMTHIKSA-N 1 0 318.333 0.400 20 5 DCBDRO CCn1ccnc1[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567892402 291388635 /nfs/dbraw/zinc/38/86/35/291388635.db2.gz VUXANLOMTXUNQN-PWSUYJOCSA-N 1 0 308.342 0.719 20 5 DCBDRO COc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1[N+](=O)[O-] ZINC000264769289 204143000 /nfs/dbraw/zinc/14/30/00/204143000.db2.gz VDIHAHXSMASALS-LBPRGKRZSA-N 1 0 322.365 0.579 20 5 DCBDRO C[NH+]1CCN(CCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000288454526 220153166 /nfs/dbraw/zinc/15/31/66/220153166.db2.gz GAAOJIVPNOGYCW-UHFFFAOYSA-N 1 0 321.381 0.544 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H](CO)C1CC1 ZINC000574204773 291680917 /nfs/dbraw/zinc/68/09/17/291680917.db2.gz MPDVESAGKCFISI-QWHCGFSZSA-N 1 0 310.350 0.943 20 5 DCBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000274108545 211364025 /nfs/dbraw/zinc/36/40/25/211364025.db2.gz VKBZEEBMXIPGSF-FOGDFJRCSA-N 1 0 314.342 0.330 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000063171275 184276222 /nfs/dbraw/zinc/27/62/22/184276222.db2.gz CIORPVXMHDLXMP-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]1C ZINC000346691008 254083648 /nfs/dbraw/zinc/08/36/48/254083648.db2.gz VJEBNONXMMGZNV-ZYHUDNBSSA-N 1 0 309.322 0.640 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)c1[N+](=O)[O-] ZINC000347118976 254131152 /nfs/dbraw/zinc/13/11/52/254131152.db2.gz ADOOOQWBZIIPKF-VIFPVBQESA-N 1 0 311.342 0.155 20 5 DCBDRO CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000350670128 254323056 /nfs/dbraw/zinc/32/30/56/254323056.db2.gz QIDSORUGOLYFPT-UHFFFAOYSA-N 1 0 310.354 0.888 20 5 DCBDRO Cc1c(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000351541086 254345448 /nfs/dbraw/zinc/34/54/48/254345448.db2.gz POFRPDPSJVYMMJ-NSHDSACASA-N 1 0 306.322 0.710 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000285628923 131188251 /nfs/dbraw/zinc/18/82/51/131188251.db2.gz RCZJJTHHKAQHAO-ZIAGYGMSSA-N 1 0 323.349 0.923 20 5 DCBDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000193641380 395775777 /nfs/dbraw/zinc/77/57/77/395775777.db2.gz JZNSLEVIHQEJAG-JKOKRWQUSA-N 1 0 323.349 0.449 20 5 DCBDRO CS[C@H]1CN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000270795305 395809739 /nfs/dbraw/zinc/80/97/39/395809739.db2.gz VSXOTQLWWSXOHO-BDAKNGLRSA-N 1 0 313.383 0.744 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000195304777 395823875 /nfs/dbraw/zinc/82/38/75/395823875.db2.gz SGHCWQGTJLJFQS-OCAPTIKFSA-N 1 0 303.365 0.496 20 5 DCBDRO CC[N@H+](C)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000049320566 395831343 /nfs/dbraw/zinc/83/13/43/395831343.db2.gz XXLVYUPMAPDJEE-UHFFFAOYSA-N 1 0 302.356 0.606 20 5 DCBDRO CN1CC[NH+](C2CCN(c3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000217659577 395839843 /nfs/dbraw/zinc/83/98/43/395839843.db2.gz XPIUGRKJMLMJOU-UHFFFAOYSA-N 1 0 306.370 0.601 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC000272551481 395899391 /nfs/dbraw/zinc/89/93/91/395899391.db2.gz CYYYEMGSFHZHHX-YPMHNXCESA-N 1 0 320.349 0.309 20 5 DCBDRO C[C@@H](CC[NH+](C)C)Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000273484399 395924354 /nfs/dbraw/zinc/92/43/54/395924354.db2.gz NHFIAJBRIYOXJN-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000274766390 395974798 /nfs/dbraw/zinc/97/47/98/395974798.db2.gz IZHHLCPLWWIQMS-LLVKDONJSA-N 1 0 313.741 0.977 20 5 DCBDRO C[C@H](CNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O)[NH+](C)C ZINC000277158898 396052827 /nfs/dbraw/zinc/05/28/27/396052827.db2.gz SKDINNKDRICCLD-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261726267 396060045 /nfs/dbraw/zinc/06/00/45/396060045.db2.gz QPNAOPPWFRNCTI-WDEREUQCSA-N 1 0 311.363 0.825 20 5 DCBDRO COc1cc(C(=O)NC[C@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000152915854 396017739 /nfs/dbraw/zinc/01/77/39/396017739.db2.gz GLAQNTKLRZKXST-AWEZNQCLSA-N 1 0 311.338 0.646 20 5 DCBDRO COCC[N@H+](C)CCCNC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000277872139 396092332 /nfs/dbraw/zinc/09/23/32/396092332.db2.gz LWTBCIYNTZSSGN-UHFFFAOYSA-N 1 0 312.326 0.394 20 5 DCBDRO COC[C@](C)(O)C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000069912208 396094817 /nfs/dbraw/zinc/09/48/17/396094817.db2.gz JAFQPCYKLLUBAP-CYBMUJFWSA-N 1 0 300.311 0.796 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)c2ccccc2)c1 ZINC000170846596 396098878 /nfs/dbraw/zinc/09/88/78/396098878.db2.gz IRSUXFVOQQVUNL-UONOGXRCSA-N 1 0 306.322 0.475 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000071310509 396112346 /nfs/dbraw/zinc/11/23/46/396112346.db2.gz VOQBNBWTWWYHSB-SNVBAGLBSA-N 1 0 315.351 0.586 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277614020 396077789 /nfs/dbraw/zinc/07/77/89/396077789.db2.gz BBLPTJALKNQSAS-SNVBAGLBSA-N 1 0 310.310 0.146 20 5 DCBDRO NC(=O)c1ccc(SCC(=O)N[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000262499717 396147665 /nfs/dbraw/zinc/14/76/65/396147665.db2.gz ACSIYBCIJFHISQ-SECBINFHSA-N 1 0 324.362 0.264 20 5 DCBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262557534 396154803 /nfs/dbraw/zinc/15/48/03/396154803.db2.gz UODRPFOOPHPJHB-AWEZNQCLSA-N 1 0 304.350 0.715 20 5 DCBDRO C[NH2+]CCN(C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000263280072 396210791 /nfs/dbraw/zinc/21/07/91/396210791.db2.gz ZVZYOAZFLJMKSL-UHFFFAOYSA-N 1 0 323.353 0.072 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000264495259 396285503 /nfs/dbraw/zinc/28/55/03/396285503.db2.gz YWPVAHFCNGUZJL-CYBMUJFWSA-N 1 0 320.393 0.889 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000080959276 396289962 /nfs/dbraw/zinc/28/99/62/396289962.db2.gz GIWUYIDPHPDPNI-AAEUAGOBSA-N 1 0 320.353 0.755 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268243401 396359489 /nfs/dbraw/zinc/35/94/89/396359489.db2.gz PIPGAQQWWUGHDY-UHFFFAOYSA-N 1 0 311.313 0.920 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000269163639 396390863 /nfs/dbraw/zinc/39/08/63/396390863.db2.gz CBPFGIQYZSBHMA-PWSUYJOCSA-N 1 0 309.370 0.994 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC000192918212 396439908 /nfs/dbraw/zinc/43/99/08/396439908.db2.gz MWTMIUVIMRPKJP-PHIMTYICSA-N 1 0 311.363 0.777 20 5 DCBDRO C[NH2+]CCCNS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000193236554 396447000 /nfs/dbraw/zinc/44/70/00/396447000.db2.gz FTMOFEMMHCODSC-UHFFFAOYSA-N 1 0 321.330 0.630 20 5 DCBDRO C[NH+](C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1O ZINC000291900056 396518289 /nfs/dbraw/zinc/51/82/89/396518289.db2.gz MXJPIOODMFUBIA-RYUDHWBXSA-N 1 0 312.301 0.873 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1C(=O)CNC1=O ZINC000595034518 396546291 /nfs/dbraw/zinc/54/62/91/396546291.db2.gz WRRYHSZZLYBYMO-VIFPVBQESA-N 1 0 322.321 0.806 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@H](C)C[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000581549698 396564560 /nfs/dbraw/zinc/56/45/60/396564560.db2.gz DJWWIXFFWGSYQN-WDEREUQCSA-N 1 0 322.365 0.875 20 5 DCBDRO CNS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293975441 396645670 /nfs/dbraw/zinc/64/56/70/396645670.db2.gz AZOSSIVBPANTAP-MRVPVSSYSA-N 1 0 302.356 0.377 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373884111 396621542 /nfs/dbraw/zinc/62/15/42/396621542.db2.gz CLJAACZDLVPESM-MNOVXSKESA-N 1 0 311.363 0.967 20 5 DCBDRO O=C1CCCC12CC[NH+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000595806986 396665263 /nfs/dbraw/zinc/66/52/63/396665263.db2.gz NYGQURFQHUALRG-ZDUSSCGKSA-N 1 0 322.365 0.987 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC000595923443 396683221 /nfs/dbraw/zinc/68/32/21/396683221.db2.gz VGWFLSABBCSMQA-GWCFXTLKSA-N 1 0 308.338 0.487 20 5 DCBDRO COc1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595932443 396685456 /nfs/dbraw/zinc/68/54/56/396685456.db2.gz PGYBTKDXLXOZCR-ZWNOBZJWSA-N 1 0 309.322 0.583 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)c1cccc2c1CC[NH2+]C2 ZINC000595955129 396694713 /nfs/dbraw/zinc/69/47/13/396694713.db2.gz DZAIIRWBRKAIHX-UHFFFAOYSA-N 1 0 315.333 0.867 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000595991353 396704715 /nfs/dbraw/zinc/70/47/15/396704715.db2.gz HIYZUCCAUYZYNN-BMIGLBTASA-N 1 0 320.349 0.581 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCN2C1=O ZINC000596014317 396708205 /nfs/dbraw/zinc/70/82/05/396708205.db2.gz NNWFXYIEKCQEKU-VXNVDRBHSA-N 1 0 311.729 0.391 20 5 DCBDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000563160437 396710685 /nfs/dbraw/zinc/71/06/85/396710685.db2.gz MWPKSXYFELXLNF-BFVZDQMLSA-N 1 0 308.338 0.259 20 5 DCBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000589583200 396718265 /nfs/dbraw/zinc/71/82/65/396718265.db2.gz RBMIWWTUHKLCQP-PSASIEDQSA-N 1 0 309.326 0.220 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000316401902 396794096 /nfs/dbraw/zinc/79/40/96/396794096.db2.gz MKIGEQGXCHUEFL-UHFFFAOYSA-N 1 0 306.366 0.501 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC3(CCCC3)C2)c1 ZINC000305122073 396738607 /nfs/dbraw/zinc/73/86/07/396738607.db2.gz JXGYJILDSNDRPU-ZDUSSCGKSA-N 1 0 310.354 0.797 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])c(=O)n(CC[C@H]2CCC[NH2+]C2)c1 ZINC000563532048 396748406 /nfs/dbraw/zinc/74/84/06/396748406.db2.gz FVPYMTJPKLIMQO-SNVBAGLBSA-N 1 0 309.322 0.933 20 5 DCBDRO C[C@H](c1cnn(C)c1)[N@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000305858566 396755386 /nfs/dbraw/zinc/75/53/86/396755386.db2.gz WUFKOHLZLSNBEM-ZWNOBZJWSA-N 1 0 308.342 0.579 20 5 DCBDRO Nc1ccc(N2CC[NH+](C3CCOCC3)CC2)nc1[N+](=O)[O-] ZINC000590582964 396803519 /nfs/dbraw/zinc/80/35/19/396803519.db2.gz AFHUPMJLTOMXCW-UHFFFAOYSA-N 1 0 307.354 0.873 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000317647959 396803786 /nfs/dbraw/zinc/80/37/86/396803786.db2.gz RLCMIVUNRFTEGU-GHMZBOCLSA-N 1 0 307.354 0.622 20 5 DCBDRO C[NH2+]CCc1ccccc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000564836469 396877377 /nfs/dbraw/zinc/87/73/77/396877377.db2.gz CIROOYAVXNUWPV-UHFFFAOYSA-N 1 0 317.349 0.983 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591438534 396921101 /nfs/dbraw/zinc/92/11/01/396921101.db2.gz MTBREQSBKZUMAA-MWLCHTKSSA-N 1 0 306.322 0.965 20 5 DCBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])NCC[N@H+]1CC[C@H](O)C1 ZINC000600808752 396947592 /nfs/dbraw/zinc/94/75/92/396947592.db2.gz PEONDSUWZODERG-LBPRGKRZSA-N 1 0 311.313 0.459 20 5 DCBDRO COc1cc(C(=O)NCC[N@@H+]2CC[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000600809658 396948181 /nfs/dbraw/zinc/94/81/81/396948181.db2.gz WIKICUAECXJZJG-NSHDSACASA-N 1 0 309.322 0.400 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000612030332 396983947 /nfs/dbraw/zinc/98/39/47/396983947.db2.gz CWRAXSFRDAWKBT-FRRDWIJNSA-N 1 0 307.350 0.486 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000591686195 396976967 /nfs/dbraw/zinc/97/69/67/396976967.db2.gz RCINDOLXVPXKBB-NSHDSACASA-N 1 0 307.354 0.748 20 5 DCBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000591680787 396977073 /nfs/dbraw/zinc/97/70/73/396977073.db2.gz HUNCIFXEWMAKJE-JTQLQIEISA-N 1 0 320.309 0.011 20 5 DCBDRO O=[N+]([O-])c1ccc(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000601348664 397072256 /nfs/dbraw/zinc/07/22/56/397072256.db2.gz XAYBAJRVEDUMBO-TXEJJXNPSA-N 1 0 311.363 0.861 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c21 ZINC000597652975 397044650 /nfs/dbraw/zinc/04/46/50/397044650.db2.gz GVRHZPLORYOPJE-VIFPVBQESA-N 1 0 306.322 0.728 20 5 DCBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC000597920394 397131000 /nfs/dbraw/zinc/13/10/00/397131000.db2.gz AZIZDAZPJRMCMQ-NSHDSACASA-N 1 0 322.365 0.746 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])cc2c1OCCO2)N1CCC[NH2+]CC1 ZINC000592287187 397142898 /nfs/dbraw/zinc/14/28/98/397142898.db2.gz NKVBJZQKPZEOOF-UHFFFAOYSA-N 1 0 307.306 0.802 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000592337703 397155856 /nfs/dbraw/zinc/15/58/56/397155856.db2.gz JIWFGVPRBAHOCA-IAZYJMLFSA-N 1 0 305.290 0.314 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000592365990 397160360 /nfs/dbraw/zinc/16/03/60/397160360.db2.gz ONYQXWXFQABHDM-QMMMGPOBSA-N 1 0 301.324 0.244 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)NCC1([NH3+])CCC1 ZINC000592374819 397162558 /nfs/dbraw/zinc/16/25/58/397162558.db2.gz LKYCRUMTLRRUMI-UHFFFAOYSA-N 1 0 315.351 0.763 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000592376432 397163789 /nfs/dbraw/zinc/16/37/89/397163789.db2.gz LMXWZAHQGSCMBQ-RKDXNWHRSA-N 1 0 300.340 0.361 20 5 DCBDRO CC(C)[C@H]1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000592379114 397164014 /nfs/dbraw/zinc/16/40/14/397164014.db2.gz HHMIPIXASCERPH-SNVBAGLBSA-N 1 0 314.367 0.608 20 5 DCBDRO C[NH+](C)CC1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000601423916 397114885 /nfs/dbraw/zinc/11/48/85/397114885.db2.gz QXAPVMNZDAECDR-UHFFFAOYSA-N 1 0 313.379 0.918 20 5 DCBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592568748 397219564 /nfs/dbraw/zinc/21/95/64/397219564.db2.gz XUAFZBJKYTWNMY-HBNTYKKESA-N 1 0 322.365 0.955 20 5 DCBDRO C[C@@H](CCNc1ncnc(N2CCOCC2)c1[N+](=O)[O-])[NH+](C)C ZINC000598632965 397265542 /nfs/dbraw/zinc/26/55/42/397265542.db2.gz GTNYFDVSKKCYFH-NSHDSACASA-N 1 0 324.385 0.974 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598669687 397272517 /nfs/dbraw/zinc/27/25/17/397272517.db2.gz MQHYBDXBBJNIQZ-FZMZJTMJSA-N 1 0 307.354 0.830 20 5 DCBDRO CNC(=O)c1ccc(N2CCN(C)C[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000601980454 397280119 /nfs/dbraw/zinc/28/01/19/397280119.db2.gz XSECAAXYXFJGHM-LLVKDONJSA-N 1 0 308.338 0.067 20 5 DCBDRO CN(C1CC([NH3+])C1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000384976570 397282628 /nfs/dbraw/zinc/28/26/28/397282628.db2.gz JABYLXBWMYWKHF-UHFFFAOYSA-N 1 0 303.315 0.844 20 5 DCBDRO COc1cccc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000386878170 397291197 /nfs/dbraw/zinc/29/11/97/397291197.db2.gz DZJJIJSVMYHWMM-ZDUSSCGKSA-N 1 0 306.322 0.951 20 5 DCBDRO [NH3+]CC1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000598916650 397307716 /nfs/dbraw/zinc/30/77/16/397307716.db2.gz ILMCOTYDXITHNL-UHFFFAOYSA-N 1 0 306.322 0.731 20 5 DCBDRO COCC[N@H+](C)CCNc1nccc(C(=O)OC)c1[N+](=O)[O-] ZINC000598593873 397253327 /nfs/dbraw/zinc/25/33/27/397253327.db2.gz XWAKINBGSPNUGR-UHFFFAOYSA-N 1 0 312.326 0.767 20 5 DCBDRO C[NH2+]C1(CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CCC1 ZINC000598632484 397264616 /nfs/dbraw/zinc/26/46/16/397264616.db2.gz DLSUSJMOVIZWJI-UHFFFAOYSA-N 1 0 322.369 0.775 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000577713170 397353035 /nfs/dbraw/zinc/35/30/35/397353035.db2.gz LCCZNUJLDXLRSD-GFCCVEGCSA-N 1 0 320.349 0.651 20 5 DCBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000602593409 397445147 /nfs/dbraw/zinc/44/51/47/397445147.db2.gz YXFKCNRHYWOWLC-DTORHVGOSA-N 1 0 305.290 0.900 20 5 DCBDRO CC(C)[C@H]1CN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+]1C ZINC000488023610 397483680 /nfs/dbraw/zinc/48/36/80/397483680.db2.gz IWAMTZHVTMPGRM-ZIAGYGMSSA-N 1 0 311.386 0.424 20 5 DCBDRO COc1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-] ZINC000599605521 397486014 /nfs/dbraw/zinc/48/60/14/397486014.db2.gz YROPMTMAJGIPMD-JTQLQIEISA-N 1 0 310.310 0.713 20 5 DCBDRO Cc1c(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000579006567 397515058 /nfs/dbraw/zinc/51/50/58/397515058.db2.gz ONWCCJFJMCWEBC-ZYHUDNBSSA-N 1 0 318.333 0.287 20 5 DCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000578892019 397500265 /nfs/dbraw/zinc/50/02/65/397500265.db2.gz VZTDECKASBYSDW-YUMQZZPRSA-N 1 0 312.301 0.914 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])NC[C@H]1COCC[NH2+]1 ZINC000599919767 397540925 /nfs/dbraw/zinc/54/09/25/397540925.db2.gz QESBCIXKAHZICR-LBPRGKRZSA-N 1 0 308.338 0.425 20 5 DCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2cccnc2[N+](=O)[O-])C1 ZINC000608885526 397758307 /nfs/dbraw/zinc/75/83/07/397758307.db2.gz WUPGTYCEASDFLE-NSHDSACASA-N 1 0 307.354 0.989 20 5 DCBDRO C[C@@H](C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[NH+](C)C ZINC000610550420 397831443 /nfs/dbraw/zinc/83/14/43/397831443.db2.gz BWBTUHDLYUPHCH-WDEREUQCSA-N 1 0 307.354 0.953 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000175702604 286347386 /nfs/dbraw/zinc/34/73/86/286347386.db2.gz NISDWZVLAPSSCK-UHFFFAOYSA-N 1 0 317.367 0.786 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000068217444 158041946 /nfs/dbraw/zinc/04/19/46/158041946.db2.gz SUHXNENAYGWDSW-LLVKDONJSA-N 1 0 309.370 0.948 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1NCC1CC[NH+](CCO)CC1 ZINC000105791721 158131132 /nfs/dbraw/zinc/13/11/32/158131132.db2.gz PBVAWRHZJZXGDS-UHFFFAOYSA-N 1 0 323.353 0.205 20 5 DCBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000161650262 158359239 /nfs/dbraw/zinc/35/92/39/158359239.db2.gz UNQWBMPDDCFMJF-ZDUSSCGKSA-N 1 0 324.385 0.773 20 5 DCBDRO O=C(N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@]1(F)CC[NH2+]C1 ZINC000169193215 158373469 /nfs/dbraw/zinc/37/34/69/158373469.db2.gz VXORHFVHXOVXPA-YGRLFVJLSA-N 1 0 323.328 0.704 20 5 DCBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000262524059 158821901 /nfs/dbraw/zinc/82/19/01/158821901.db2.gz OPPCSQUYDYGCCM-AWEZNQCLSA-N 1 0 304.350 0.715 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000367822136 159357508 /nfs/dbraw/zinc/35/75/08/159357508.db2.gz KFWWXKFFVWAOKA-ZFWWWQNUSA-N 1 0 324.381 0.901 20 5 DCBDRO CCOC[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000246645701 287086297 /nfs/dbraw/zinc/08/62/97/287086297.db2.gz CQKGIDSSWNIYGX-TZMCWYRMSA-N 1 0 312.370 0.901 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000415431773 287236543 /nfs/dbraw/zinc/23/65/43/287236543.db2.gz KQUYLIQLKMDFII-JTQLQIEISA-N 1 0 320.349 0.916 20 5 DCBDRO [NH3+]C[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000420389498 287295617 /nfs/dbraw/zinc/29/56/17/287295617.db2.gz MEFQYVRAOACRLL-AWEZNQCLSA-N 1 0 322.365 0.973 20 5 DCBDRO NC(=O)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000026711410 415166966 /nfs/dbraw/zinc/16/69/66/415166966.db2.gz WWQPDCCKMYDNBW-CYBMUJFWSA-N 1 0 323.349 0.532 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268235263 415182540 /nfs/dbraw/zinc/18/25/40/415182540.db2.gz NWOWYESAALVYBY-SKDRFNHKSA-N 1 0 307.354 0.699 20 5 DCBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000352678068 415272603 /nfs/dbraw/zinc/27/26/03/415272603.db2.gz WZYPMDZWNVNHII-BKLCCMMDSA-N 1 0 322.365 0.507 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000342734189 415273310 /nfs/dbraw/zinc/27/33/10/415273310.db2.gz MOTBVLYYFQJZAT-WDEREUQCSA-N 1 0 324.385 0.553 20 5 DCBDRO COc1cc(OCC(=O)NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000342606438 415225279 /nfs/dbraw/zinc/22/52/79/415225279.db2.gz MBMVNSWFJDGTIT-UHFFFAOYSA-N 1 0 309.322 0.980 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@]2(O)CC[N@H+](C)C2)n1 ZINC000342833074 415309367 /nfs/dbraw/zinc/30/93/67/415309367.db2.gz WUVCYFYOLGEPJL-ZDUSSCGKSA-N 1 0 310.310 0.255 20 5 DCBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2COC[C@H]2O)cccc1[N+](=O)[O-] ZINC000352820532 415338549 /nfs/dbraw/zinc/33/85/49/415338549.db2.gz YXZAFDBSSAJBGB-ZIAGYGMSSA-N 1 0 323.349 0.923 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000353068134 415426990 /nfs/dbraw/zinc/42/69/90/415426990.db2.gz QJDQJXZTSUYERC-LLVKDONJSA-N 1 0 307.354 0.933 20 5 DCBDRO Cn1c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000342956019 415375502 /nfs/dbraw/zinc/37/55/02/415375502.db2.gz NISQXKRYUWQNEA-LBPRGKRZSA-N 1 0 324.381 0.900 20 5 DCBDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000278346723 415486833 /nfs/dbraw/zinc/48/68/33/415486833.db2.gz VOZSYYILLOORJL-JTQLQIEISA-N 1 0 323.353 0.383 20 5 DCBDRO C[C@H](C[NH+](C)C)Nc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000343799305 415734152 /nfs/dbraw/zinc/73/41/52/415734152.db2.gz WWFONFYBHUPKEZ-MRVPVSSYSA-N 1 0 302.356 0.604 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425555090 287317168 /nfs/dbraw/zinc/31/71/68/287317168.db2.gz XHDOPVMCSHOZQB-JTQLQIEISA-N 1 0 304.310 0.364 20 5 DCBDRO COC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC000120387506 415765435 /nfs/dbraw/zinc/76/54/35/415765435.db2.gz RPBUCDSTJSRWSF-UHFFFAOYSA-N 1 0 312.326 0.493 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000344478124 415925506 /nfs/dbraw/zinc/92/55/06/415925506.db2.gz WRJVFUMICIGINU-NSHDSACASA-N 1 0 309.370 0.679 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000356727044 415977984 /nfs/dbraw/zinc/97/79/84/415977984.db2.gz BXPJPMWQVSZKMX-WDEREUQCSA-N 1 0 307.354 0.885 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC[NH+]1CCC1 ZINC000337595641 415982398 /nfs/dbraw/zinc/98/23/98/415982398.db2.gz OTILSWDJDGTGIM-NSHDSACASA-N 1 0 324.385 0.649 20 5 DCBDRO C[NH+](C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1cccs1 ZINC000338096313 416044746 /nfs/dbraw/zinc/04/47/46/416044746.db2.gz RMWIDXIONJAWSU-SECBINFHSA-N 1 0 324.366 0.667 20 5 DCBDRO CC[C@@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1C[C@H](C)O ZINC000301257111 416079684 /nfs/dbraw/zinc/07/96/84/416079684.db2.gz FWYBITBQPLIYHG-CMPLNLGQSA-N 1 0 311.386 0.918 20 5 DCBDRO COC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])cnc2C)CCC[NH2+]1 ZINC000357276807 416054579 /nfs/dbraw/zinc/05/45/79/416054579.db2.gz UQQVBTFKNRWTHX-AWEZNQCLSA-N 1 0 308.338 0.797 20 5 DCBDRO CC[C@H]1CN(c2c([N+](=O)[O-])c(C)nn2C)CC[N@@H+]1C[C@H](C)O ZINC000301257113 416080278 /nfs/dbraw/zinc/08/02/78/416080278.db2.gz FWYBITBQPLIYHG-JQWIXIFHSA-N 1 0 311.386 0.918 20 5 DCBDRO C[NH+]1CCN(CCCNc2ncc([N+](=O)[O-])cc2C(N)=O)CC1 ZINC000298427735 416006722 /nfs/dbraw/zinc/00/67/22/416006722.db2.gz MUSIKFUIYXYKEN-UHFFFAOYSA-N 1 0 322.369 0.138 20 5 DCBDRO Cc1nn(C)c(N2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000301516438 416085372 /nfs/dbraw/zinc/08/53/72/416085372.db2.gz BXLSWVQLCWZCBY-LBPRGKRZSA-N 1 0 309.370 0.795 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345753002 416143864 /nfs/dbraw/zinc/14/38/64/416143864.db2.gz HMOQJAQXSMXZJN-UHFFFAOYSA-N 1 0 309.370 0.301 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000178917929 416176161 /nfs/dbraw/zinc/17/61/61/416176161.db2.gz OLYDBNOSGWDDDA-VIFPVBQESA-N 1 0 315.351 0.634 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000358056899 416180315 /nfs/dbraw/zinc/18/03/15/416180315.db2.gz BSVLSJANHBQQNB-CQSZACIVSA-N 1 0 309.322 0.156 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)COc2ccccc2[N+](=O)[O-])C1 ZINC000358056894 416181926 /nfs/dbraw/zinc/18/19/26/416181926.db2.gz BSVLSJANHBQQNB-AWEZNQCLSA-N 1 0 309.322 0.156 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCO[C@@H](C[NH3+])C1 ZINC000358154653 416202994 /nfs/dbraw/zinc/20/29/94/416202994.db2.gz QZQYGJRBPQEVKF-ZDUSSCGKSA-N 1 0 322.365 0.891 20 5 DCBDRO Cc1cc(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000330666791 416226343 /nfs/dbraw/zinc/22/63/43/416226343.db2.gz AXYLBNYYLUJQMP-ZDUSSCGKSA-N 1 0 306.366 0.879 20 5 DCBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000178523690 416164492 /nfs/dbraw/zinc/16/44/92/416164492.db2.gz UQDSPPHFWITJOM-YPMHNXCESA-N 1 0 307.354 0.734 20 5 DCBDRO CC[N@H+](C)CCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000183596565 416247623 /nfs/dbraw/zinc/24/76/23/416247623.db2.gz BFZGONBIHVYQMY-UHFFFAOYSA-N 1 0 322.365 0.701 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358421060 416235860 /nfs/dbraw/zinc/23/58/60/416235860.db2.gz CQVGFAILECXHNF-AWEZNQCLSA-N 1 0 324.337 0.792 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000263702707 416338750 /nfs/dbraw/zinc/33/87/50/416338750.db2.gz BZOGROPMXQMBAU-UHFFFAOYSA-N 1 0 311.338 0.668 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC[NH2+]C ZINC000415546906 416347444 /nfs/dbraw/zinc/34/74/44/416347444.db2.gz NWJWFLSTCZKIKZ-UHFFFAOYSA-N 1 0 324.337 0.610 20 5 DCBDRO NS(=O)(=O)C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361742296 416486692 /nfs/dbraw/zinc/48/66/92/416486692.db2.gz DWDHTBSJPYPPMS-UHFFFAOYSA-N 1 0 313.379 0.890 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361112201 416421661 /nfs/dbraw/zinc/42/16/61/416421661.db2.gz UFIUBLLPBQWGKB-STQMWFEESA-N 1 0 320.349 0.261 20 5 DCBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCO)CCN2CCOCC2)cc1 ZINC000361947618 416531223 /nfs/dbraw/zinc/53/12/23/416531223.db2.gz UMDROTGALAEMIK-UHFFFAOYSA-N 1 0 323.393 0.764 20 5 DCBDRO CNc1nccc(C(=O)N(C)CCCC[NH+](C)C)c1[N+](=O)[O-] ZINC000594295382 416558031 /nfs/dbraw/zinc/55/80/31/416558031.db2.gz LKKLDGXTQLRJRK-UHFFFAOYSA-N 1 0 309.370 1.445 20 5 DCBDRO CN(CC[NH+]1CCCCC1)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000594371293 416560379 /nfs/dbraw/zinc/56/03/79/416560379.db2.gz AFYLNPAADNBNSN-UHFFFAOYSA-N 1 0 307.354 1.130 20 5 DCBDRO COc1cc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc([N+](=O)[O-])c1C ZINC000423541544 416520727 /nfs/dbraw/zinc/52/07/27/416520727.db2.gz SCZHZHMGHIRYSE-NSHDSACASA-N 1 0 309.322 0.712 20 5 DCBDRO CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000423992069 416601042 /nfs/dbraw/zinc/60/10/42/416601042.db2.gz NSNKTNYCXNLTOG-NSHDSACASA-N 1 0 309.322 0.712 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)C1 ZINC000362946645 416572035 /nfs/dbraw/zinc/57/20/35/416572035.db2.gz YOQGBNGBBDYBEH-NSHDSACASA-N 1 0 321.385 0.183 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000440746983 416645876 /nfs/dbraw/zinc/64/58/76/416645876.db2.gz LMIKIQFZSMQBLC-ZCFIWIBFSA-N 1 0 307.303 0.368 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(c3c([N+](=O)[O-])ncn3C)C2)CC1 ZINC000609288113 416653891 /nfs/dbraw/zinc/65/38/91/416653891.db2.gz AHYCJUXEHULGBD-GFCCVEGCSA-N 1 0 308.386 0.545 20 5 DCBDRO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000545312814 416672110 /nfs/dbraw/zinc/67/21/10/416672110.db2.gz GGONFFSIPDPKLZ-GFCCVEGCSA-N 1 0 323.397 0.689 20 5 DCBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000548420246 416688220 /nfs/dbraw/zinc/68/82/20/416688220.db2.gz RRAJVDQFCRRWOX-JTQLQIEISA-N 1 0 307.354 1.128 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000516925770 416758136 /nfs/dbraw/zinc/75/81/36/416758136.db2.gz DQPUSGRGPUABAK-MNOVXSKESA-N 1 0 324.385 0.648 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])s2)C1 ZINC000443514814 416765166 /nfs/dbraw/zinc/76/51/66/416765166.db2.gz ZCJMSJZHWDSNOQ-SECBINFHSA-N 1 0 313.383 1.051 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1 ZINC000518516953 416861595 /nfs/dbraw/zinc/86/15/95/416861595.db2.gz SMNSUPLLCCQZOD-LLVKDONJSA-N 1 0 307.306 0.833 20 5 DCBDRO C[C@@H]1CCC[N@H+](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000564704903 416895016 /nfs/dbraw/zinc/89/50/16/416895016.db2.gz FQGJZRCWZKGQBO-SNVBAGLBSA-N 1 0 307.354 1.034 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000429102106 287334798 /nfs/dbraw/zinc/33/47/98/287334798.db2.gz YTTJFJWBMNXBCP-MNOVXSKESA-N 1 0 324.385 0.695 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000428194877 416882020 /nfs/dbraw/zinc/88/20/20/416882020.db2.gz GQDNTCWDLNLTHQ-UWVGGRQHSA-N 1 0 310.358 0.305 20 5 DCBDRO C[C@H]1CCC[N@H+](CCNC(=O)c2ccnc(N)c2[N+](=O)[O-])C1 ZINC000564704901 416894836 /nfs/dbraw/zinc/89/48/36/416894836.db2.gz FQGJZRCWZKGQBO-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000565831880 417023283 /nfs/dbraw/zinc/02/32/83/417023283.db2.gz CFVGPQKIUIQKQU-ZYHUDNBSSA-N 1 0 309.370 0.933 20 5 DCBDRO CCn1cc(S(=O)(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])n1 ZINC000447242922 416973062 /nfs/dbraw/zinc/97/30/62/416973062.db2.gz HNOPEFNSKORUHO-IUCAKERBSA-N 1 0 317.371 0.169 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](C)C[NH3+] ZINC000447248109 416974410 /nfs/dbraw/zinc/97/44/10/416974410.db2.gz KDJUODRVFWVWQH-MRVPVSSYSA-N 1 0 303.340 0.477 20 5 DCBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430635977 287349048 /nfs/dbraw/zinc/34/90/48/287349048.db2.gz HZUMHNHRMWZWHG-UHFFFAOYSA-N 1 0 322.365 0.337 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1C(=O)CNC1=O ZINC000449058812 417118578 /nfs/dbraw/zinc/11/85/78/417118578.db2.gz MCUTVMODBYLRBD-SNVBAGLBSA-N 1 0 306.322 0.667 20 5 DCBDRO CO[C@H]1C[NH2+][C@@H](C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000568591755 417152819 /nfs/dbraw/zinc/15/28/19/417152819.db2.gz BBNMHDQPZOLLPG-CHWSQXEVSA-N 1 0 308.338 0.500 20 5 DCBDRO CC[C@H]([NH3+])CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000449603906 417155081 /nfs/dbraw/zinc/15/50/81/417155081.db2.gz IOROLFGBYWBYGR-NSHDSACASA-N 1 0 323.353 0.248 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCCO1 ZINC000449708882 417169638 /nfs/dbraw/zinc/16/96/38/417169638.db2.gz WVMMOGOBMHMFTC-LBPRGKRZSA-N 1 0 323.349 0.858 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000449703252 417166831 /nfs/dbraw/zinc/16/68/31/417166831.db2.gz UCTIIFKJGINFRD-GFCCVEGCSA-N 1 0 322.365 0.384 20 5 DCBDRO CC(C)n1ccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000569596138 417273207 /nfs/dbraw/zinc/27/32/07/417273207.db2.gz WIUCGYBXSJQBJA-CYBMUJFWSA-N 1 0 308.342 0.719 20 5 DCBDRO COC(=O)COc1ccc(CNC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000414884492 417313956 /nfs/dbraw/zinc/31/39/56/417313956.db2.gz FJPYXDJERFSYEX-LBPRGKRZSA-N 1 0 323.349 0.974 20 5 DCBDRO COC(=O)COc1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000415033033 417324836 /nfs/dbraw/zinc/32/48/36/417324836.db2.gz IEWRDWFLIVVGIR-HBYGRHMLSA-N 1 0 321.333 0.454 20 5 DCBDRO CC(C)[N@@H+]1CCCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000438722432 287375372 /nfs/dbraw/zinc/37/53/72/287375372.db2.gz METXGVVZIRMUGY-AWEZNQCLSA-N 1 0 311.386 0.568 20 5 DCBDRO CC(C)Oc1nc(NC[C@H]2C[N@H+](C)CCN2C)ccc1[N+](=O)[O-] ZINC000575071659 417509447 /nfs/dbraw/zinc/50/94/47/417509447.db2.gz BSPFAKCLYCPEBF-LBPRGKRZSA-N 1 0 323.397 1.435 20 5 DCBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC[C@H]1O ZINC000453359446 417520622 /nfs/dbraw/zinc/52/06/22/417520622.db2.gz SRLDCFASOWBTCR-OASPWFOLSA-N 1 0 309.322 0.661 20 5 DCBDRO Nc1c(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cccc1[N+](=O)[O-] ZINC000576021092 417571107 /nfs/dbraw/zinc/57/11/07/417571107.db2.gz ODLKKQVHFLHPBU-HNNXBMFYSA-N 1 0 320.349 0.364 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H](O)COc2ccccc2)c1 ZINC000576749132 417632154 /nfs/dbraw/zinc/63/21/54/417632154.db2.gz NDKMPGQTFAJHIV-CYBMUJFWSA-N 1 0 306.322 0.821 20 5 DCBDRO [NH3+]CCc1nc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cs1 ZINC000580647270 417719034 /nfs/dbraw/zinc/71/90/34/417719034.db2.gz CTAHUCHBLSFBGV-UHFFFAOYSA-N 1 0 310.339 0.179 20 5 DCBDRO COc1cccc(C(=O)NCCOCC[NH+](C)C)c1[N+](=O)[O-] ZINC000444341786 287422250 /nfs/dbraw/zinc/42/22/50/287422250.db2.gz KZWOGDVDMLPBMZ-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000298177443 228396795 /nfs/dbraw/zinc/39/67/95/228396795.db2.gz RHNJKWUTBSQLPK-UHFFFAOYSA-N 1 0 308.338 0.828 20 5 DCBDRO CCC(CC)[C@@H](O)C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000230565651 261154161 /nfs/dbraw/zinc/15/41/61/261154161.db2.gz FKELXRIIZWAGOZ-OLZOCXBDSA-N 1 0 300.359 0.539 20 5 DCBDRO CC1CC[NH+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000354357574 261207781 /nfs/dbraw/zinc/20/77/81/261207781.db2.gz ZNZIPWUDNBPSIB-UHFFFAOYSA-N 1 0 324.385 0.815 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362750349 262067803 /nfs/dbraw/zinc/06/78/03/262067803.db2.gz ORDCIZOCTCBQNA-LBPRGKRZSA-N 1 0 322.369 0.671 20 5 DCBDRO COc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1[N+](=O)[O-] ZINC000390105317 262160195 /nfs/dbraw/zinc/16/01/95/262160195.db2.gz ZUKWRIYIXCUETQ-NSHDSACASA-N 1 0 309.322 0.712 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCOCc2ccccc2)c1 ZINC000390064401 262160249 /nfs/dbraw/zinc/16/02/49/262160249.db2.gz YDGSDIYSFHKSTM-HNNXBMFYSA-N 1 0 320.349 0.959 20 5 DCBDRO [NH3+]C1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCCC1 ZINC000417913277 262264872 /nfs/dbraw/zinc/26/48/72/262264872.db2.gz PUDXKEOMRJUDNC-UHFFFAOYSA-N 1 0 310.358 0.752 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@@H]1C[NH2+]CCO1 ZINC000417950527 262265820 /nfs/dbraw/zinc/26/58/20/262265820.db2.gz WDEUHNSVGSOUKB-ZDUSSCGKSA-N 1 0 308.338 0.425 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418762338 262287922 /nfs/dbraw/zinc/28/79/22/262287922.db2.gz LVERGXYFWMZRGR-CYBMUJFWSA-N 1 0 321.381 0.640 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCc2cccc([N+](=O)[O-])c2)C1 ZINC000418859137 262293806 /nfs/dbraw/zinc/29/38/06/262293806.db2.gz BBFGAOMRMUVXNS-GFCCVEGCSA-N 1 0 320.349 0.074 20 5 DCBDRO [NH3+][C@@H](CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418920028 262298336 /nfs/dbraw/zinc/29/83/36/262298336.db2.gz GURMVZZFBPIQDJ-ZDUSSCGKSA-N 1 0 320.349 0.107 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419121481 262310399 /nfs/dbraw/zinc/31/03/99/262310399.db2.gz ASLBYRQBOWFWIX-QWRGUYRKSA-N 1 0 320.349 0.722 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000419133664 262312641 /nfs/dbraw/zinc/31/26/41/262312641.db2.gz GGLNLVWJCXEZGV-VHSXEESVSA-N 1 0 308.338 0.578 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419153698 262313397 /nfs/dbraw/zinc/31/33/97/262313397.db2.gz PZEPEYHHLOGEEN-GHMZBOCLSA-N 1 0 322.365 0.886 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000419963924 262354735 /nfs/dbraw/zinc/35/47/35/262354735.db2.gz WSKYQYLBQVHQTD-JTQLQIEISA-N 1 0 308.338 0.264 20 5 DCBDRO [NH3+]CCN1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000420367117 262371881 /nfs/dbraw/zinc/37/18/81/262371881.db2.gz GUFXMGXSEZGBLB-UHFFFAOYSA-N 1 0 304.354 0.942 20 5 DCBDRO C[C@@H](CC(=O)NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC000423894107 262468655 /nfs/dbraw/zinc/46/86/55/262468655.db2.gz DLSSOPPUKWYXJR-NWDGAFQWSA-N 1 0 309.370 0.933 20 5 DCBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@@H]1[NH3+] ZINC000423971404 262474298 /nfs/dbraw/zinc/47/42/98/262474298.db2.gz HAFHRYPNQNRKHI-KOLCDFICSA-N 1 0 321.333 0.714 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC[NH2+]CC1 ZINC000428464568 262586451 /nfs/dbraw/zinc/58/64/51/262586451.db2.gz XTIBJTNOHVLQFR-LLVKDONJSA-N 1 0 324.385 0.649 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCC([NH3+])CC1 ZINC000428744402 262593291 /nfs/dbraw/zinc/59/32/91/262593291.db2.gz ZHZMLIZDLUJUDI-NSHDSACASA-N 1 0 324.385 0.777 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N[C@H](C)CC[NH3+])cc1[N+](=O)[O-] ZINC000419270355 271282057 /nfs/dbraw/zinc/28/20/57/271282057.db2.gz NHLWREZKFHTCFI-GHMZBOCLSA-N 1 0 322.365 0.934 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419886106 271337447 /nfs/dbraw/zinc/33/74/47/271337447.db2.gz HWFIIDCFDRAMRR-LBPRGKRZSA-N 1 0 320.349 0.421 20 5 DCBDRO C[C@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420233485 271366650 /nfs/dbraw/zinc/36/66/50/271366650.db2.gz FTKVZHXWQXIWKU-ZETCQYMHSA-N 1 0 305.381 0.858 20 5 DCBDRO COC[C@@]1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH2+]C1 ZINC000422931210 271393320 /nfs/dbraw/zinc/39/33/20/271393320.db2.gz BACMSNBLXJUYIU-OAHLLOKOSA-N 1 0 322.365 0.749 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491797883 272104872 /nfs/dbraw/zinc/10/48/72/272104872.db2.gz QMRSDQNXKSCKPB-IDTUSYRASA-N 1 0 318.377 0.970 20 5 DCBDRO CN1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000493689105 272204787 /nfs/dbraw/zinc/20/47/87/272204787.db2.gz QQEZWARWMQNXRG-MASHWEEQSA-N 1 0 322.340 0.848 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494890473 272233326 /nfs/dbraw/zinc/23/33/26/272233326.db2.gz NNJOJZDJWIPOFS-NEPJUHHUSA-N 1 0 307.354 0.700 20 5 DCBDRO COC(=O)NCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000496758032 272341502 /nfs/dbraw/zinc/34/15/02/272341502.db2.gz LBRVVLWSHNVVTD-UHFFFAOYSA-N 1 0 310.310 0.869 20 5 DCBDRO O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1F ZINC000519710561 272508434 /nfs/dbraw/zinc/50/84/34/272508434.db2.gz GQQPNRWCXQQRGS-CQSZACIVSA-N 1 0 322.296 0.908 20 5 DCBDRO C[C@H](C[NH3+])N(C)C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000237631454 274483368 /nfs/dbraw/zinc/48/33/68/274483368.db2.gz FLXBHHDCJSSNIK-MRVPVSSYSA-N 1 0 304.306 0.856 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000415411995 277030528 /nfs/dbraw/zinc/03/05/28/277030528.db2.gz HGKAILBZSNIWFI-VIFPVBQESA-N 1 0 324.337 0.514 20 5 DCBDRO C[C@@H](C[NH3+])N(C)C(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000262611708 278246262 /nfs/dbraw/zinc/24/62/62/278246262.db2.gz XENLRMIRGDXMJU-VIFPVBQESA-N 1 0 322.321 0.126 20 5 DCBDRO C[NH+](C)C/C=C/C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297068253 282017998 /nfs/dbraw/zinc/01/79/98/282017998.db2.gz WPRZANYMJZDJKL-GQCTYLIASA-N 1 0 319.365 0.756 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCn2ccnc2)c1 ZINC000558060853 288436562 /nfs/dbraw/zinc/43/65/62/288436562.db2.gz QZRSEKYRNZCFCS-ZDUSSCGKSA-N 1 0 306.322 0.821 20 5 DCBDRO C[C@H](C[S@@](C)=O)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580184382 332991002 /nfs/dbraw/zinc/99/10/02/332991002.db2.gz XUSZTSKQSOPIPQ-SXUOVDMSSA-N 1 0 316.379 0.691 20 5 DCBDRO CN1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000387858638 333181083 /nfs/dbraw/zinc/18/10/83/333181083.db2.gz GTWRYOIZPRXMKZ-GXMNPTEKSA-N 1 0 304.350 0.709 20 5 DCBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000582895429 337212223 /nfs/dbraw/zinc/21/22/23/337212223.db2.gz UXVNVFFLRMZKFC-GXFFZTMASA-N 1 0 320.349 0.325 20 5 DCBDRO COCC[NH2+]CCNC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1 ZINC001579047422 1159271493 /nfs/dbraw/zinc/27/14/93/1159271493.db2.gz UKJRFNFZQJWBQL-UHFFFAOYSA-N 1 0 316.745 0.796 20 5 DCBDRO C[C@@H]1CN(C(=O)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH2+]1 ZINC000155092965 534307663 /nfs/dbraw/zinc/30/76/63/534307663.db2.gz QOZUSUUPTMUWSP-SNVBAGLBSA-N 1 0 321.333 0.729 20 5 DCBDRO C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H](C)[N@H+]1C ZINC000296586682 534313670 /nfs/dbraw/zinc/31/36/70/534313670.db2.gz UZPLMSGJPRBZPW-PHIMTYICSA-N 1 0 310.358 0.525 20 5 DCBDRO CC(C)C(=O)NCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000157432637 519490753 /nfs/dbraw/zinc/49/07/53/519490753.db2.gz BCADQSNJYBMFKG-UHFFFAOYSA-N 1 0 310.354 0.461 20 5 DCBDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266542046 521440508 /nfs/dbraw/zinc/44/05/08/521440508.db2.gz HACVUMLWZHLONA-ZDUSSCGKSA-N 1 0 308.342 0.408 20 5 DCBDRO COc1cc(OCC(=O)N[C@@H](C[NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000237226595 522892604 /nfs/dbraw/zinc/89/26/04/522892604.db2.gz PQMOVVWAXCEBQU-NSHDSACASA-N 1 0 309.322 0.836 20 5 DCBDRO Cc1c(C(=O)N[C@@H]2CC[NH2+]C2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000127261240 525639173 /nfs/dbraw/zinc/63/91/73/525639173.db2.gz QKKLEUTWYCWCOQ-SNVBAGLBSA-N 1 0 316.321 0.576 20 5 DCBDRO O=C(N[C@@H]1CC[NH2+]C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000127369470 526932721 /nfs/dbraw/zinc/93/27/21/526932721.db2.gz BPQAKNXDHIOXCH-SECBINFHSA-N 1 0 302.294 0.267 20 5 DCBDRO [NH3+]C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000237927199 527229398 /nfs/dbraw/zinc/22/93/98/527229398.db2.gz GGIUWTYOBZCSLQ-LBPRGKRZSA-N 1 0 316.321 0.643 20 5 DCBDRO [NH3+][C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)C1 ZINC000157712799 527398604 /nfs/dbraw/zinc/39/86/04/527398604.db2.gz PLIQQRPAJOEIJG-NSHDSACASA-N 1 0 316.321 0.739 20 5 DCBDRO C[NH+](C)CCCCNC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000274525367 535829211 /nfs/dbraw/zinc/82/92/11/535829211.db2.gz PDLJIEXYIXFJQA-UHFFFAOYSA-N 1 0 322.365 0.783 20 5 DCBDRO NS(=O)(=O)c1ccc(OCC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000122471878 545752204 /nfs/dbraw/zinc/75/22/04/545752204.db2.gz AGHFEKNEFJXQFH-SECBINFHSA-N 1 0 315.351 0.621 20 5 DCBDRO [NH3+]C1(CO)CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000737763411 598896210 /nfs/dbraw/zinc/89/62/10/598896210.db2.gz CVRIKBHONUKDEK-UHFFFAOYSA-N 1 0 319.325 0.065 20 5 DCBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCC2)c(-c2nn[nH]n2)c1 ZINC000823652269 599317931 /nfs/dbraw/zinc/31/79/31/599317931.db2.gz XVUQBAMQJXDHGV-UHFFFAOYSA-N 1 0 304.314 0.678 20 5 DCBDRO C[N@@H+]1C[C@@H]2CN(CCn3cc([N+](=O)[O-])ccc3=O)C[C@]2(C)C1 ZINC000933736586 657777068 /nfs/dbraw/zinc/77/70/68/657777068.db2.gz XLDKMVOITXDORE-DOMZBBRYSA-N 1 0 306.366 0.640 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)c1 ZINC000934261995 658247941 /nfs/dbraw/zinc/24/79/41/658247941.db2.gz HCAGSIOGZRNNRJ-UONOGXRCSA-N 1 0 309.370 0.322 20 5 DCBDRO Cc1cc(C)n(CC[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022063964 658817511 /nfs/dbraw/zinc/81/75/11/658817511.db2.gz RBJLCAUKPLPTDD-XJFOESAGSA-N 1 0 321.381 0.402 20 5 DCBDRO [NH3+][C@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CC1 ZINC000261921007 661833881 /nfs/dbraw/zinc/83/38/81/661833881.db2.gz JATTWAIXFIZJHU-GFCCVEGCSA-N 1 0 316.321 0.643 20 5 DCBDRO C[C@H]1[C@@H](Nc2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[N@@H+]1C ZINC000895738688 662211727 /nfs/dbraw/zinc/21/17/27/662211727.db2.gz YALYMNYAXLHRPA-QWRGUYRKSA-N 1 0 322.369 0.726 20 5 DCBDRO C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])[C@H]1C[N@H+](C)CCN1C ZINC000896579842 662295283 /nfs/dbraw/zinc/29/52/83/662295283.db2.gz JCUITAALVRKOMI-SMDDNHRTSA-N 1 0 306.366 0.959 20 5 DCBDRO Cc1cc(CN2CC=C(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)no1 ZINC001000669334 665913616 /nfs/dbraw/zinc/91/36/16/665913616.db2.gz IXGMRZOEFYQPIJ-ZIAGYGMSSA-N 1 0 320.349 0.897 20 5 DCBDRO C[C@@H]1CN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000730080347 663044870 /nfs/dbraw/zinc/04/48/70/663044870.db2.gz BXJLTTUSHKEPML-OCCSQVGLSA-N 1 0 309.366 0.970 20 5 DCBDRO CC[NH+]1CCC(NC(=O)Cn2c(C)ccc([N+](=O)[O-])c2=O)CC1 ZINC000902340473 663407767 /nfs/dbraw/zinc/40/77/67/663407767.db2.gz MUSHSJBLUQKCDH-UHFFFAOYSA-N 1 0 322.365 0.665 20 5 DCBDRO O=C(N1CCN(c2ccccc2[N+](=O)[O-])CC1)C12CC(C1)C[NH2+]2 ZINC000912000133 664131689 /nfs/dbraw/zinc/13/16/89/664131689.db2.gz AMMKJLORZMHRBF-UHFFFAOYSA-N 1 0 316.361 0.995 20 5 DCBDRO C[NH+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000170358815 664577781 /nfs/dbraw/zinc/57/77/81/664577781.db2.gz FESSMZYSAPYTNG-UHFFFAOYSA-N 1 0 314.729 0.865 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@H]2CSCCS2)c1 ZINC000229599891 664606522 /nfs/dbraw/zinc/60/65/22/664606522.db2.gz BVVQUPZJBWBWRW-QWRGUYRKSA-N 1 0 318.424 0.590 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000730227282 664607991 /nfs/dbraw/zinc/60/79/91/664607991.db2.gz AGOSXOBXULMQQP-LLVKDONJSA-N 1 0 321.381 0.543 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000730227283 664608428 /nfs/dbraw/zinc/60/84/28/664608428.db2.gz AGOSXOBXULMQQP-NSHDSACASA-N 1 0 321.381 0.543 20 5 DCBDRO CN(CC(=O)N1CC[N@@H+]2CC[C@H]1C2)c1ccccc1[N+](=O)[O-] ZINC000597709109 664760430 /nfs/dbraw/zinc/76/04/30/664760430.db2.gz UUYPPXQUJLYJJE-LBPRGKRZSA-N 1 0 304.350 0.948 20 5 DCBDRO CC(=O)OC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000153564881 664886286 /nfs/dbraw/zinc/88/62/86/664886286.db2.gz BVEYRLYEJONWQT-LBPRGKRZSA-N 1 0 312.326 0.180 20 5 DCBDRO Cc1ncc(C[NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000917094935 665115662 /nfs/dbraw/zinc/11/56/62/665115662.db2.gz OPRLNTDODIVYBV-GJZGRUSLSA-N 1 0 318.333 0.877 20 5 DCBDRO Cc1conc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000997773738 665337270 /nfs/dbraw/zinc/33/72/70/665337270.db2.gz XZVMGSSAHNWUTJ-TZMCWYRMSA-N 1 0 322.365 0.976 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996428808 666790388 /nfs/dbraw/zinc/79/03/88/666790388.db2.gz HVBNNNDIERLXRV-ZIAGYGMSSA-N 1 0 304.350 0.827 20 5 DCBDRO C[C@H]([NH3+])CN(C)CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000863567294 667158404 /nfs/dbraw/zinc/15/84/04/667158404.db2.gz VVIPOBBGTTYDCC-QMMMGPOBSA-N 1 0 310.310 0.541 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[NH2+]CCC23CCC3)c1 ZINC000923426229 667531236 /nfs/dbraw/zinc/53/12/36/667531236.db2.gz LTTLXWKFGMSZCE-ZDUSSCGKSA-N 1 0 309.370 0.370 20 5 DCBDRO C[N@H+](CCO)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000884824693 667612276 /nfs/dbraw/zinc/61/22/76/667612276.db2.gz IHDYIIGLQLURGB-UHFFFAOYSA-N 1 0 319.159 0.510 20 5 DCBDRO O=[N+]([O-])c1ccccc1CN(C1CC1)S(=O)(=O)C1C[NH2+]C1 ZINC000923629508 667808231 /nfs/dbraw/zinc/80/82/31/667808231.db2.gz AMBODANKBIQPTF-UHFFFAOYSA-N 1 0 311.363 0.861 20 5 DCBDRO [NH3+]C[C@@H]1CN(CCn2cc([N+](=O)[O-])cn2)C[C@H]1C(F)(F)F ZINC000872151937 667870008 /nfs/dbraw/zinc/87/00/08/667870008.db2.gz NRAIOUIAYDXRAQ-PSASIEDQSA-N 1 0 307.276 0.860 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748408286 667927116 /nfs/dbraw/zinc/92/71/16/667927116.db2.gz UGXARHBOWYVRPP-UHFFFAOYSA-N 1 0 305.338 0.965 20 5 DCBDRO Cn1c(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000889781727 667996471 /nfs/dbraw/zinc/99/64/71/667996471.db2.gz OIKVIZNNUJXIOK-VXGBXAGGSA-N 1 0 322.365 0.605 20 5 DCBDRO Cn1c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)ccc1[N+](=O)[O-] ZINC000889781726 667996593 /nfs/dbraw/zinc/99/65/93/667996593.db2.gz OIKVIZNNUJXIOK-RYUDHWBXSA-N 1 0 322.365 0.605 20 5 DCBDRO C[NH+](C)C[C@H](N)C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000876552866 668463926 /nfs/dbraw/zinc/46/39/26/668463926.db2.gz GTASEEMHLRBYLY-LBPRGKRZSA-N 1 0 321.381 0.132 20 5 DCBDRO COC[C@@]1(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[NH2+]CCO1 ZINC000876592259 668471056 /nfs/dbraw/zinc/47/10/56/668471056.db2.gz DUHACTSEEWDCGO-OAHLLOKOSA-N 1 0 323.349 0.558 20 5 DCBDRO COC(=O)C[C@@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000767032059 668557004 /nfs/dbraw/zinc/55/70/04/668557004.db2.gz PQSFLWJAOKLQDW-HIFRSBDPSA-N 1 0 324.333 0.940 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877279137 668590292 /nfs/dbraw/zinc/59/02/92/668590292.db2.gz BPNLPOHFNMAJLS-NWDGAFQWSA-N 1 0 307.354 0.843 20 5 DCBDRO O=[N+]([O-])c1ccn(C2CCN(C[C@H](O)C[NH+]3CCCC3)CC2)n1 ZINC000785870536 669279903 /nfs/dbraw/zinc/27/99/03/669279903.db2.gz RKTFKEQVZWABCY-CQSZACIVSA-N 1 0 323.397 0.885 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000932551719 669382781 /nfs/dbraw/zinc/38/27/81/669382781.db2.gz LIWKFBFYQMQMOZ-GFCCVEGCSA-N 1 0 307.354 0.795 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000934394522 669600648 /nfs/dbraw/zinc/60/06/48/669600648.db2.gz HCDHCEMERSPTDB-MWLCHTKSSA-N 1 0 307.354 0.841 20 5 DCBDRO Cn1cc(CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])n1 ZINC000883441768 669688669 /nfs/dbraw/zinc/68/86/69/669688669.db2.gz XCUQKWVYQYIAQA-APPZFPTMSA-N 1 0 307.276 0.897 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc([N+](=O)[O-])c(F)cc2N)C1 ZINC000801950632 670146927 /nfs/dbraw/zinc/14/69/27/670146927.db2.gz YAGWFASKTIZANE-CYBMUJFWSA-N 1 0 312.301 0.113 20 5 DCBDRO CC(C)[N@@H+]1CCO[C@@H](COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000802137613 670152218 /nfs/dbraw/zinc/15/22/18/670152218.db2.gz SXLPLPFNSBJDIC-LLVKDONJSA-N 1 0 312.326 0.444 20 5 DCBDRO O=[N+]([O-])c1cccc([C@@H](O)CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000847044886 670513713 /nfs/dbraw/zinc/51/37/13/670513713.db2.gz PAPQLOKKDUQYSB-ZNMIVQPWSA-N 1 0 307.350 0.379 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC000854467873 670572953 /nfs/dbraw/zinc/57/29/53/670572953.db2.gz ZTJRXBVEJAYWPF-VIFPVBQESA-N 1 0 315.301 0.151 20 5 DCBDRO [NH3+]CCc1noc(CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000857255276 670902720 /nfs/dbraw/zinc/90/27/20/670902720.db2.gz SJZDATBIZYEJHD-UHFFFAOYSA-N 1 0 306.282 0.801 20 5 DCBDRO CN1CCN(C)[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819048739 671089302 /nfs/dbraw/zinc/08/93/02/671089302.db2.gz ASZYIANIKOJNMZ-CABCVRRESA-N 1 0 308.382 0.464 20 5 DCBDRO CC(C)(C)[S@@](=O)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000819057361 671089967 /nfs/dbraw/zinc/08/99/67/671089967.db2.gz VLXPWENFBJBGSM-MQJDWESPSA-N 1 0 318.399 0.289 20 5 DCBDRO O=C(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000819211268 671102316 /nfs/dbraw/zinc/10/23/16/671102316.db2.gz YCEICOLGZIJAMS-CYBMUJFWSA-N 1 0 309.322 0.077 20 5 DCBDRO COCC[N@@H+]1CCC[C@H]1COC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000861034190 671261682 /nfs/dbraw/zinc/26/16/82/671261682.db2.gz KFJRGJQKRFTOFT-NSHDSACASA-N 1 0 312.326 0.445 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000823301626 671384562 /nfs/dbraw/zinc/38/45/62/671384562.db2.gz MPSPGNJAKYPBMN-ZDUSSCGKSA-N 1 0 314.430 0.964 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000823986046 671414843 /nfs/dbraw/zinc/41/48/43/671414843.db2.gz GPBOYEFRGYJXJH-UHFFFAOYSA-N 1 0 323.353 0.755 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)CC[C@H]21 ZINC000827328263 671522752 /nfs/dbraw/zinc/52/27/52/671522752.db2.gz DKJFOPMLRVCLGG-DGCLKSJQSA-N 1 0 320.349 0.309 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000830865337 671644336 /nfs/dbraw/zinc/64/43/36/671644336.db2.gz MDPBAUDZYHZLGN-XBFCOCLRSA-N 1 0 324.333 0.484 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000833336564 671746977 /nfs/dbraw/zinc/74/69/77/671746977.db2.gz FOOUOSQLBLFPCR-YUTCNCBUSA-N 1 0 305.334 0.791 20 5 DCBDRO CC(C)(CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[N+](=O)[O-] ZINC000833551419 671747911 /nfs/dbraw/zinc/74/79/11/671747911.db2.gz BNNZRBIAOGKJOA-LBPRGKRZSA-N 1 0 301.387 0.785 20 5 DCBDRO Nc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1[N+](=O)[O-] ZINC000833566163 671748178 /nfs/dbraw/zinc/74/81/78/671748178.db2.gz RUXZFEUPMXOHQX-LBPRGKRZSA-N 1 0 322.365 0.754 20 5 DCBDRO COC[C@]1(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)CCC[NH2+]1 ZINC000834763988 671779135 /nfs/dbraw/zinc/77/91/35/671779135.db2.gz HVXQACYGHGTSQR-OAHLLOKOSA-N 1 0 322.365 0.984 20 5 DCBDRO Nc1nc(N2CCC[C@H](OC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc[nH+]1 ZINC000842347635 672006697 /nfs/dbraw/zinc/00/66/97/672006697.db2.gz RGMFIPGWRRVIPE-IVZWLZJFSA-N 1 0 307.310 0.236 20 5 DCBDRO COc1ccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843395911 672091476 /nfs/dbraw/zinc/09/14/76/672091476.db2.gz ULJCPIQMOQNASF-LBPRGKRZSA-N 1 0 323.349 0.988 20 5 DCBDRO Cc1c([N+](=O)[O-])cc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000843497515 672105736 /nfs/dbraw/zinc/10/57/36/672105736.db2.gz GZONCGHBZFBEME-SNVBAGLBSA-N 1 0 324.293 0.530 20 5 DCBDRO O=[N+]([O-])c1cc(CO)c(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1F ZINC000865917690 685380728 /nfs/dbraw/zinc/38/07/28/685380728.db2.gz NGXNTWWOWVUMAQ-WDEREUQCSA-N 1 0 311.313 0.481 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000895027809 685438610 /nfs/dbraw/zinc/43/86/10/685438610.db2.gz KLWWLUFGZFQZFL-UHFFFAOYSA-N 1 0 308.386 0.545 20 5 DCBDRO COc1ccnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)c1 ZINC001020138890 693710012 /nfs/dbraw/zinc/71/00/12/693710012.db2.gz GOTQJZBFGYJOKI-DMTCVQMQSA-N 1 0 320.349 0.492 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001566330762 1159971847 /nfs/dbraw/zinc/97/18/47/1159971847.db2.gz OFUWHKYETCKTRH-KWQFWETISA-N 1 0 305.338 0.785 20 5 DCBDRO COC(=O)/C=C/c1ccc(NC[C@@]2(O)CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001578795622 1165113980 /nfs/dbraw/zinc/11/39/80/1165113980.db2.gz AYGPWFVEZRFKRM-SJDLMVEWSA-N 1 0 321.333 0.917 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001579642760 1165369660 /nfs/dbraw/zinc/36/96/60/1165369660.db2.gz UQWWFNBHLQBRQG-JYAVWHMHSA-N 1 0 304.350 0.991 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC001579733947 1165384362 /nfs/dbraw/zinc/38/43/62/1165384362.db2.gz GIBUQJLUGNCIPM-ZYHUDNBSSA-N 1 0 309.322 0.121 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)n1 ZINC001579969396 1165454114 /nfs/dbraw/zinc/45/41/14/1165454114.db2.gz HYSONXINSFQCGN-SNVBAGLBSA-N 1 0 301.306 0.859 20 5 DCBDRO [NH3+][C@@]1(CO)CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC001580154738 1165521683 /nfs/dbraw/zinc/52/16/83/1165521683.db2.gz LODREOWXOKWZJO-HNNXBMFYSA-N 1 0 322.365 0.709 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1CO ZINC001580541193 1165633019 /nfs/dbraw/zinc/63/30/19/1165633019.db2.gz NMXSKCDRHDMWRJ-LLVKDONJSA-N 1 0 309.322 0.156 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC3(C2)CC[NH2+]CC3)nc1 ZINC001580875780 1165749284 /nfs/dbraw/zinc/74/92/84/1165749284.db2.gz RBMIPWJCWXLKTF-UHFFFAOYSA-N 1 0 312.351 0.364 20 5 DCBDRO CC(C)[N@H+](CCO)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001589692615 1166674867 /nfs/dbraw/zinc/67/48/67/1166674867.db2.gz UQEQHFZINYQFPC-UHFFFAOYSA-N 1 0 306.326 0.978 20 5 DCBDRO C[N@@H+]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1(C)C ZINC001591192311 1167142371 /nfs/dbraw/zinc/14/23/71/1167142371.db2.gz HAVCUECANGQIKZ-UHFFFAOYSA-N 1 0 318.341 0.700 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001593721840 1167960982 /nfs/dbraw/zinc/96/09/82/1167960982.db2.gz UECWTZNKIFPFLO-CMPLNLGQSA-N 1 0 308.338 0.214 20 5 DCBDRO CC[C@@H]1CN(c2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC001604487993 1169603282 /nfs/dbraw/zinc/60/32/82/1169603282.db2.gz MJAGLACJNKXIKL-WCBMZHEXSA-N 1 0 318.341 0.747 20 5 DCBDRO C[NH+](C)C[C@@H](O)CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604681196 1169655330 /nfs/dbraw/zinc/65/53/30/1169655330.db2.gz VFQRLHXKGQRPEW-VIFPVBQESA-N 1 0 307.314 0.109 20 5 DCBDRO COC[C@](C)([NH3+])CNc1cccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001605044611 1169792985 /nfs/dbraw/zinc/79/29/85/1169792985.db2.gz ORWIDTSEENFRAG-GFCCVEGCSA-N 1 0 307.314 0.551 20 5 DCBDRO Cc1nn(CC(=O)NCCC[NH+](C)C)c2ncc([N+](=O)[O-])cc12 ZINC001613581237 1171369103 /nfs/dbraw/zinc/36/91/03/1171369103.db2.gz DVTZATMZRDJAKI-UHFFFAOYSA-N 1 0 320.353 0.716 20 5 DCBDRO C[NH+](C)CC1(O)CCN(C(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC001641731851 1171927161 /nfs/dbraw/zinc/92/71/61/1171927161.db2.gz HRTQTZWKLOKADD-UHFFFAOYSA-N 1 0 322.365 0.706 20 5 DCBDRO COC(=O)C[C@]1([NH2+]CCn2c(C)ncc2[N+](=O)[O-])CCOC1 ZINC001642657216 1171952869 /nfs/dbraw/zinc/95/28/69/1171952869.db2.gz IHCDABOPSDXHGC-CYBMUJFWSA-N 1 0 312.326 0.412 20 5 DCBDRO CC[C@H]1COCCN1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001644143319 1171997640 /nfs/dbraw/zinc/99/76/40/1171997640.db2.gz IPFFUQRLXPADLC-NSHDSACASA-N 1 0 311.342 0.018 20 5 DCBDRO CO[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@](C)(CO)C1 ZINC001644129875 1171997434 /nfs/dbraw/zinc/99/74/34/1171997434.db2.gz WSNUBDZVTWQVRK-SWLSCSKDSA-N 1 0 323.349 0.665 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001644700456 1172017101 /nfs/dbraw/zinc/01/71/01/1172017101.db2.gz UCZQPNIKAFHAER-LSDHHAIUSA-N 1 0 319.361 0.805 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NC[C@H]1C[NH+]2CCC1CC2 ZINC001646289139 1172323123 /nfs/dbraw/zinc/32/31/23/1172323123.db2.gz RNPJZTCCIJPEEG-LBPRGKRZSA-N 1 0 320.349 0.215 20 5 DCBDRO O=c1[nH]ccc(NC[C@@]2(CO)COC[C@@H]3CCC[N@@H+]32)c1[N+](=O)[O-] ZINC001651521777 1173750170 /nfs/dbraw/zinc/75/01/70/1173750170.db2.gz GJVIHGIEEPXAMJ-IINYFYTJSA-N 1 0 324.337 0.333 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001651886030 1173758061 /nfs/dbraw/zinc/75/80/61/1173758061.db2.gz COEZMOZDRBABHN-WDEREUQCSA-N 1 0 305.338 0.881 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC([NH2+]C2CCC2)CC1 ZINC001653361024 1173786339 /nfs/dbraw/zinc/78/63/39/1173786339.db2.gz NCCWGJVPBDRUFG-UHFFFAOYSA-N 1 0 308.342 0.319 20 5 DCBDRO O=C1C[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1 ZINC001658865016 1173925653 /nfs/dbraw/zinc/92/56/53/1173925653.db2.gz HLIBOTOVQFTSAA-NJZAAPMLSA-N 1 0 323.349 0.247 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001658942422 1173927606 /nfs/dbraw/zinc/92/76/06/1173927606.db2.gz BXEUJRWIMYTRIR-BXUZGUMPSA-N 1 0 323.349 0.517 20 5 DCBDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001665412015 1174518428 /nfs/dbraw/zinc/51/84/28/1174518428.db2.gz UHUFSVCDSULCLS-QWRGUYRKSA-N 1 0 323.349 0.793 20 5 DCBDRO CCN(CC[NH2+]Cc1c(C)noc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001668426085 1174795066 /nfs/dbraw/zinc/79/50/66/1174795066.db2.gz BIWKVLZFEINCQR-DGCLKSJQSA-N 1 0 310.354 0.895 20 5 DCBDRO CCN(CC[NH2+]Cc1cnccc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715731886 1181965134 /nfs/dbraw/zinc/96/51/34/1181965134.db2.gz OCOLLSOITOBXDV-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO CC(C)n1ncnc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001716541058 1182433314 /nfs/dbraw/zinc/43/33/14/1182433314.db2.gz PUEAOBCHKLBOCE-VXGBXAGGSA-N 1 0 324.385 0.462 20 5 DCBDRO Cn1cc(C[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CCC2)cn1 ZINC001724786988 1184556744 /nfs/dbraw/zinc/55/67/44/1184556744.db2.gz TYDRAXNCMRNXEK-VXGBXAGGSA-N 1 0 307.354 0.214 20 5 DCBDRO CC(=O)NCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001731471481 1185347998 /nfs/dbraw/zinc/34/79/98/1185347998.db2.gz WBLQIMXAWBDMBO-BETUJISGSA-N 1 0 320.349 0.468 20 5 DCBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)CC(N)=O ZINC001732768768 1185957122 /nfs/dbraw/zinc/95/71/22/1185957122.db2.gz LTTQJDCINOHLFA-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C[C@H]21 ZINC001164669318 719415316 /nfs/dbraw/zinc/41/53/16/719415316.db2.gz LNIWAZZREQYZOS-VXGBXAGGSA-N 1 0 303.322 0.990 20 5 DCBDRO Cn1cnc(C(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC001125676911 747478180 /nfs/dbraw/zinc/47/81/80/747478180.db2.gz YAWFPVLPVXQFGZ-UHFFFAOYSA-N 1 0 309.351 0.909 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(-n2c(C)ncc(C[NH3+])c2=N)n1 ZINC001167672463 747496981 /nfs/dbraw/zinc/49/69/81/747496981.db2.gz NLIJXVPOTZIOGL-UHFFFAOYSA-N 1 0 318.293 0.209 20 5 DCBDRO CC(=O)N1CC(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001126287466 748377463 /nfs/dbraw/zinc/37/74/63/748377463.db2.gz JWGRINDWTOXCBN-UHFFFAOYSA-N 1 0 320.349 0.279 20 5 DCBDRO N=C(NCCCC[NH3+])Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-] ZINC001167878416 748458183 /nfs/dbraw/zinc/45/81/83/748458183.db2.gz QRSZTSWYMGFLDW-UHFFFAOYSA-N 1 0 302.722 0.557 20 5 DCBDRO CCOC(=O)[C@@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)[C@@H](C)O ZINC001168039578 749153234 /nfs/dbraw/zinc/15/32/34/749153234.db2.gz RQBOXVYLOQAHTF-OQPBUACISA-N 1 0 309.322 0.922 20 5 DCBDRO Cn1ncc(C(=O)NCCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001168320089 749914784 /nfs/dbraw/zinc/91/47/84/749914784.db2.gz OSWWGXQEPXJUDH-UHFFFAOYSA-N 1 0 324.366 0.695 20 5 DCBDRO [NH3+][C@H]1CCc2nn(-c3c[n+]([O-])c(Cl)cc3[N+](=O)[O-])cc2C1 ZINC001168810000 760465360 /nfs/dbraw/zinc/46/53/60/760465360.db2.gz XYMBLUWSVIKRQW-QMMMGPOBSA-N 1 0 309.713 0.883 20 5 DCBDRO [NH3+]Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168959198 760532048 /nfs/dbraw/zinc/53/20/48/760532048.db2.gz UOEHTCPLBLRSLV-VXGBXAGGSA-N 1 0 313.379 0.869 20 5 DCBDRO O=C(NCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)N1CCOCC1 ZINC001168973875 760535432 /nfs/dbraw/zinc/53/54/32/760535432.db2.gz PBLLWTABNFOZOL-NWDGAFQWSA-N 1 0 300.359 0.063 20 5 DCBDRO COC(=O)Cc1ccc(-n2nc(CC[NH3+])nc2C)cc1[N+](=O)[O-] ZINC001168989458 760547786 /nfs/dbraw/zinc/54/77/86/760547786.db2.gz OKZRDYSVXUNDTE-UHFFFAOYSA-N 1 0 319.321 0.701 20 5 DCBDRO O=C1COCCN1C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169047936 760562413 /nfs/dbraw/zinc/56/24/13/760562413.db2.gz STEHEFLJMATMHP-TZMCWYRMSA-N 1 0 311.382 0.755 20 5 DCBDRO CCS(=O)(=O)N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]C1 ZINC001169048625 760562968 /nfs/dbraw/zinc/56/29/68/760562968.db2.gz ABEDASDMJKCEBF-YNEHKIRRSA-N 1 0 319.427 0.836 20 5 DCBDRO COC(=O)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCN1C(C)=O ZINC001169054881 760564530 /nfs/dbraw/zinc/56/45/30/760564530.db2.gz NZKHDKGUSSDEMH-AGIUHOORSA-N 1 0 313.354 0.138 20 5 DCBDRO O=[N+]([O-])c1c(NCc2ncccc2O)ncnc1C1C[NH2+]C1 ZINC001169732419 760824903 /nfs/dbraw/zinc/82/49/03/760824903.db2.gz WQINZEDXDGUBFL-UHFFFAOYSA-N 1 0 302.294 0.784 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cnsn1 ZINC001124155206 768153711 /nfs/dbraw/zinc/15/37/11/768153711.db2.gz VXGXOBRDMLYPRS-UHFFFAOYSA-N 1 0 307.335 0.966 20 5 DCBDRO O=C(NCC[NH2+]Cc1csc([N+](=O)[O-])c1)c1c[nH]c(=O)cn1 ZINC001133013869 764795657 /nfs/dbraw/zinc/79/56/57/764795657.db2.gz YFHZBOSOWTZVFU-UHFFFAOYSA-N 1 0 323.334 0.259 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC001170776250 765698284 /nfs/dbraw/zinc/69/82/84/765698284.db2.gz MJZBZWSUOWEAAQ-NSHDSACASA-N 1 0 322.365 0.752 20 5 DCBDRO COC(=O)c1cc(C)nc(N[C@@H]2C[NH2+]C[C@@H]2CO)c1[N+](=O)[O-] ZINC001170777588 765717209 /nfs/dbraw/zinc/71/72/09/765717209.db2.gz IPMSUYJQJOXUIO-PSASIEDQSA-N 1 0 310.310 0.077 20 5 DCBDRO Cn1ncc(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC001135283068 765866616 /nfs/dbraw/zinc/86/66/16/765866616.db2.gz IEBPUFZVYVWGOW-UHFFFAOYSA-N 1 0 304.310 0.243 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccn(CC[NH+](C)C)n2)n1 ZINC001116422850 765869587 /nfs/dbraw/zinc/86/95/87/765869587.db2.gz KURLQTSDSSKEFW-UHFFFAOYSA-N 1 0 307.314 0.339 20 5 DCBDRO CSc1nc(Cl)c([N+](=O)[O-])c(N[C@H]2C[NH2+]C[C@@H]2CO)n1 ZINC001159670737 766192531 /nfs/dbraw/zinc/19/25/31/766192531.db2.gz FZDJAIXEJMABPY-RITPCOANSA-N 1 0 319.774 0.752 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001118038196 766203000 /nfs/dbraw/zinc/20/30/00/766203000.db2.gz JKNOTNCKHKTYHB-NSHDSACASA-N 1 0 322.365 0.368 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001118044990 766206704 /nfs/dbraw/zinc/20/67/04/766206704.db2.gz OFFYMHIJLNVERB-SECBINFHSA-N 1 0 306.322 0.291 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)CC[NH2+]1 ZINC001118060241 766213407 /nfs/dbraw/zinc/21/34/07/766213407.db2.gz ZPPRTBITUCBJRS-SNVBAGLBSA-N 1 0 318.333 0.257 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC001119242327 766606978 /nfs/dbraw/zinc/60/69/78/766606978.db2.gz ZFCLKNNQZCHLLD-QWRGUYRKSA-N 1 0 306.322 0.109 20 5 DCBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120686851 767137828 /nfs/dbraw/zinc/13/78/28/767137828.db2.gz CUWZYRUQZISQAJ-KBPBESRZSA-N 1 0 305.334 0.839 20 5 DCBDRO CC[NH+](CC)CC(=O)NCCNc1ncc([N+](=O)[O-])cc1F ZINC001093646920 768668835 /nfs/dbraw/zinc/66/88/35/768668835.db2.gz RLPMXGSTPSGBSI-UHFFFAOYSA-N 1 0 313.333 0.999 20 5 DCBDRO Cn1cnc2ccc(OC(=O)C[C@@H](O)C[N+](C)(C)C)cc2c1=O ZINC001233768141 769445888 /nfs/dbraw/zinc/44/58/88/769445888.db2.gz BZPIODBELCJFSX-LLVKDONJSA-N 1 0 320.369 0.296 20 5 DCBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH3+])S(C)(=O)=O ZINC001173210767 769567893 /nfs/dbraw/zinc/56/78/93/769567893.db2.gz MZMRVLNBDJRFGL-JTQLQIEISA-N 1 0 301.368 0.746 20 5 DCBDRO NC(=O)NCCC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001175567910 769929792 /nfs/dbraw/zinc/92/97/92/769929792.db2.gz VRGASWWEWYIHOA-UHFFFAOYSA-N 1 0 323.353 0.249 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001153780301 769931401 /nfs/dbraw/zinc/93/14/01/769931401.db2.gz GJTBUVWAMMIRSH-NWDGAFQWSA-N 1 0 306.322 0.271 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ncnc2cccc([N+](=O)[O-])c21 ZINC001154770927 770290837 /nfs/dbraw/zinc/29/08/37/770290837.db2.gz LVUSDHQGKFUACY-UHFFFAOYSA-N 1 0 311.323 0.263 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001155483800 770519216 /nfs/dbraw/zinc/51/92/16/770519216.db2.gz TYLBZIBRUZUZRH-NQMVMOMDSA-N 1 0 314.729 0.528 20 5 DCBDRO COc1ncnc(NC[C@H]2CO[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001155599256 770560924 /nfs/dbraw/zinc/56/09/24/770560924.db2.gz SEBKAIWZHDPMKH-HZMBPMFUSA-N 1 0 323.353 0.964 20 5 DCBDRO CCN(CC)C(=O)[C@H](C)Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156369748 770798444 /nfs/dbraw/zinc/79/84/44/770798444.db2.gz MYKOGTSOYBOAIY-VIFPVBQESA-N 1 0 322.369 0.740 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)C1=CCOCC1 ZINC001156961099 770981657 /nfs/dbraw/zinc/98/16/57/770981657.db2.gz YZZJEHBLSIHURB-UHFFFAOYSA-N 1 0 323.353 0.271 20 5 DCBDRO CCc1onc(C)c1C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157774850 771670343 /nfs/dbraw/zinc/67/03/43/771670343.db2.gz DCBSZMPQISIROQ-ZYHUDNBSSA-N 1 0 310.354 0.807 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@](F)(C[NH3+])C2)n1 ZINC001157816663 771676373 /nfs/dbraw/zinc/67/63/73/771676373.db2.gz LEURUDFUOAKNHV-LBPRGKRZSA-N 1 0 312.305 0.529 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ncnc2cccc([N+](=O)[O-])c21 ZINC001158209284 771741624 /nfs/dbraw/zinc/74/16/24/771741624.db2.gz OXPSWAMGYBOADJ-SECBINFHSA-N 1 0 314.305 0.586 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](Nc2cc([N+](=O)[O-])cc(Cl)n2)CN1 ZINC001158251568 771745945 /nfs/dbraw/zinc/74/59/45/771745945.db2.gz OLKUWCASCKSPGI-SVRRBLITSA-N 1 0 300.702 0.959 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1N1CCC(N2CC[C@H]([NH3+])C2)CC1 ZINC001158269325 771750447 /nfs/dbraw/zinc/75/04/47/771750447.db2.gz QPGSJGPQMZJBSB-JTQLQIEISA-N 1 0 306.370 0.574 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ncc(F)cc1[N+](=O)[O-])CC2 ZINC001158634234 771797060 /nfs/dbraw/zinc/79/70/60/771797060.db2.gz AIRWTBPPDWMIFL-SMDDNHRTSA-N 1 0 324.312 0.860 20 5 DCBDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(N)c([N+](=O)[O-])cn2)O1 ZINC001159238984 771881288 /nfs/dbraw/zinc/88/12/88/771881288.db2.gz AEXOPUSUQTZKLN-WZRBSPASSA-N 1 0 311.342 0.709 20 5 DCBDRO COC(=O)c1ccnc(-n2[nH]c(=O)c(CC[NH3+])c2C)c1[N+](=O)[O-] ZINC001159300183 771893112 /nfs/dbraw/zinc/89/31/12/771893112.db2.gz UHPYXXJNUAMVTH-UHFFFAOYSA-N 1 0 321.293 0.477 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001159679667 771943620 /nfs/dbraw/zinc/94/36/20/771943620.db2.gz VKCBLXCWYBJMQW-KCJUWKMLSA-N 1 0 310.310 0.159 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(C)cc(OC)c1[N+](=O)[O-] ZINC001159755122 771953224 /nfs/dbraw/zinc/95/32/24/771953224.db2.gz JFZMFHWQSOWWBJ-NXEZZACHSA-N 1 0 324.337 0.870 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cn[nH]n1 ZINC001161691231 772267055 /nfs/dbraw/zinc/26/70/55/772267055.db2.gz OKPJXGHZIMUVDR-UHFFFAOYSA-N 1 0 304.310 0.623 20 5 DCBDRO C[NH+]1CCN(CCCNc2cc([N+](=O)[O-])c3nncn3c2)CC1 ZINC001161710007 772270821 /nfs/dbraw/zinc/27/08/21/772270821.db2.gz NCCVGXFIVATSKH-UHFFFAOYSA-N 1 0 319.369 0.687 20 5 DCBDRO O=[N+]([O-])c1cnc(NCCc2nncs2)nc1C1C[NH2+]C1 ZINC001161732357 772273837 /nfs/dbraw/zinc/27/38/37/772273837.db2.gz MWLXQIAWASOBEN-UHFFFAOYSA-N 1 0 307.339 0.578 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001163111796 772465039 /nfs/dbraw/zinc/46/50/39/772465039.db2.gz UQZZIESAIMYKRR-HLUHBDAQSA-N 1 0 322.321 0.423 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])cc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163160575 772474819 /nfs/dbraw/zinc/47/48/19/772474819.db2.gz WYNVAMOQWDTYEH-XPTSAGLGSA-N 1 0 322.321 0.424 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCO[C@]2(CC[NH2+]C2)C1 ZINC001163304327 772503007 /nfs/dbraw/zinc/50/30/07/772503007.db2.gz HRVPATKCGJDSGU-LKFCYVNXSA-N 1 0 321.337 0.412 20 5 DCBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1ccc([N+](=O)[O-])c(OC)n1 ZINC001163438476 772524889 /nfs/dbraw/zinc/52/48/89/772524889.db2.gz KMTRMFYIUWBWNU-VIFPVBQESA-N 1 0 311.342 0.654 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC[C@H](O)[C@@H](F)CC2)nc1C1C[NH2+]C1 ZINC001164241896 772629891 /nfs/dbraw/zinc/62/98/91/772629891.db2.gz GLWQFMKTWLBXLD-ONGXEEELSA-N 1 0 311.317 0.371 20 5 DCBDRO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3C[NH2+]C[C@@]3(CO)C2)n1 ZINC001165283652 772717080 /nfs/dbraw/zinc/71/70/80/772717080.db2.gz HGJOHHLFDNTDFD-RNCFNFMXSA-N 1 0 312.757 0.970 20 5 DCBDRO COc1nc(-n2c(=N)sc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001166859589 772872050 /nfs/dbraw/zinc/87/20/50/772872050.db2.gz IESHCVARCMRIRX-UHFFFAOYSA-N 1 0 307.335 0.976 20 5 DCBDRO NC(=O)C(=O)NCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001166923237 772880358 /nfs/dbraw/zinc/88/03/58/772880358.db2.gz DBPMAGDGPBSSGB-UHFFFAOYSA-N 1 0 320.349 0.456 20 5 DCBDRO CCOCCC[NH2+]CC1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001205229951 772984477 /nfs/dbraw/zinc/98/44/77/772984477.db2.gz KCFHIFAAUNJMLV-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO CNC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001193198970 773023422 /nfs/dbraw/zinc/02/34/22/773023422.db2.gz ZTSBWWIUBVXLJD-DGCLKSJQSA-N 1 0 308.338 0.632 20 5 DCBDRO COC(=O)c1cccc(COC(=O)C[C@@H](O)C[N+](C)(C)C)c1 ZINC001206424587 773075655 /nfs/dbraw/zinc/07/56/55/773075655.db2.gz MSWUXXNXXWFGSW-CQSZACIVSA-N 1 0 310.370 0.974 20 5 DCBDRO CCc1nc2c(c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1)CNC2 ZINC001218224426 774218422 /nfs/dbraw/zinc/21/84/22/774218422.db2.gz YQQRLQFSZRMDOB-SNVBAGLBSA-N 1 0 309.390 0.005 20 5 DCBDRO CC1(C)O[C@H]2O[C@@H]3[C@H](OCCC[N+](C)(C)C)C(=O)O[C@@H]3[C@H]2O1 ZINC001224622939 775589131 /nfs/dbraw/zinc/58/91/31/775589131.db2.gz JAZCWHZVMUESBU-ZXPJVPCYSA-N 1 0 316.374 0.270 20 5 DCBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2C(N)=O)C1 ZINC001226172204 775775741 /nfs/dbraw/zinc/77/57/41/775775741.db2.gz JXTLROKTYZHLJS-LLVKDONJSA-N 1 0 309.322 0.793 20 5 DCBDRO COc1cnc(=S)[nH]c1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226242562 775787482 /nfs/dbraw/zinc/78/74/82/775787482.db2.gz PSUOIHIHSCNGAK-MRVPVSSYSA-O 1 0 302.376 0.137 20 5 DCBDRO CCc1noc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001269411801 940702668 /nfs/dbraw/zinc/70/26/68/940702668.db2.gz UEMSTVLTBASKDH-ZWNOBZJWSA-N 1 0 322.365 0.949 20 5 DCBDRO COC(=O)[C@@H]1CN([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1[NH3+] ZINC001246933271 945520789 /nfs/dbraw/zinc/52/07/89/945520789.db2.gz RRENXBPILXTCBB-MGPQQGTHSA-N 1 0 305.334 0.494 20 5 DCBDRO COC1CC[NH+](CCNC(=O)c2nn(C)cc2[N+](=O)[O-])CC1 ZINC001320577567 945935066 /nfs/dbraw/zinc/93/50/66/945935066.db2.gz NXDOQIRDMPZQDH-UHFFFAOYSA-N 1 0 311.342 0.169 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001325080274 947639729 /nfs/dbraw/zinc/63/97/29/947639729.db2.gz ZOQUFQXLPXSDJS-UHFFFAOYSA-N 1 0 320.349 0.457 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC001325843573 947946323 /nfs/dbraw/zinc/94/63/23/947946323.db2.gz DQQSKNWVNAMXDX-ZDUSSCGKSA-N 1 0 314.363 0.653 20 5 DCBDRO [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3n[nH]cc3[N+](=O)[O-])CC2)C1 ZINC001326938163 948335859 /nfs/dbraw/zinc/33/58/59/948335859.db2.gz PSPHLPAQGUOADM-JQWIXIFHSA-N 1 0 323.353 0.676 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC001327436880 948510804 /nfs/dbraw/zinc/51/08/04/948510804.db2.gz AUHLTIUADAVZTN-VIFPVBQESA-N 1 0 308.338 0.956 20 5 DCBDRO O=C(CN1CCc2ccc([N+](=O)[O-])cc2C1)N1CC[NH2+]CC1 ZINC001328489511 948922397 /nfs/dbraw/zinc/92/23/97/948922397.db2.gz AKNLTOXOTXKHLN-UHFFFAOYSA-N 1 0 304.350 0.385 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001330308634 950262379 /nfs/dbraw/zinc/26/23/79/950262379.db2.gz ZXGCPNDCISFTBV-NEPJUHHUSA-N 1 0 320.349 0.452 20 5 DCBDRO CN1CC[C@@H]([NH+]2CCC(Nc3c([N+](=O)[O-])cnn3C)CC2)C1=O ZINC001334272273 952277330 /nfs/dbraw/zinc/27/73/30/952277330.db2.gz VOSYYTSMRZVFIB-LLVKDONJSA-N 1 0 322.369 0.435 20 5 DCBDRO CN(CCC[NH2+]CCc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276001988 952606767 /nfs/dbraw/zinc/60/67/67/952606767.db2.gz NGIBXJUIDXOXTJ-CHWSQXEVSA-N 1 0 309.370 0.066 20 5 DCBDRO CC(C)c1nccn1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001336728973 952758392 /nfs/dbraw/zinc/75/83/92/952758392.db2.gz VLHDSARQEKWVLU-CYBMUJFWSA-N 1 0 322.369 0.762 20 5 DCBDRO C[C@@H](c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001338056529 952955692 /nfs/dbraw/zinc/95/56/92/952955692.db2.gz KWZDAKKXVQFKPH-RYUDHWBXSA-N 1 0 324.385 0.311 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C)[C@H](CO)C1 ZINC001339704692 953113525 /nfs/dbraw/zinc/11/35/25/953113525.db2.gz ZXSBLKIWFGZIGH-NSHDSACASA-N 1 0 308.338 0.385 20 5 DCBDRO CN1CC[NH2+]C[C@H]1C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001340001594 953137313 /nfs/dbraw/zinc/13/73/13/953137313.db2.gz FWSPGVSJSFWRSO-LBPRGKRZSA-N 1 0 312.757 0.768 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC001340068486 953142404 /nfs/dbraw/zinc/14/24/04/953142404.db2.gz WIZSPLSAUGHHAY-SECBINFHSA-N 1 0 324.312 0.801 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c([N+](=O)[O-])cnn2C)CC1 ZINC001341458021 953231602 /nfs/dbraw/zinc/23/16/02/953231602.db2.gz ZRDLBOBUJNAJOS-NSHDSACASA-N 1 0 324.385 0.084 20 5 DCBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CC[NH+](C(C)C)CC1 ZINC001341621887 953241585 /nfs/dbraw/zinc/24/15/85/953241585.db2.gz AOKLRXGHYOWHRJ-UHFFFAOYSA-N 1 0 312.374 0.232 20 5 DCBDRO O=C(CCc1cc(F)ccc1[N+](=O)[O-])N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001342216372 953276775 /nfs/dbraw/zinc/27/67/75/953276775.db2.gz VPSITYLLPKWHMD-LBPRGKRZSA-N 1 0 323.324 0.914 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001342295606 953282192 /nfs/dbraw/zinc/28/21/92/953282192.db2.gz MHZFOUNXYARIAR-GFCCVEGCSA-N 1 0 323.349 0.593 20 5 DCBDRO [NH3+]C[C@H]1CN(C(=O)CCc2cc(F)ccc2[N+](=O)[O-])CCO1 ZINC001343468741 953347528 /nfs/dbraw/zinc/34/75/28/953347528.db2.gz UPHVMWNQDIZPFF-LBPRGKRZSA-N 1 0 311.313 0.853 20 5 DCBDRO COc1ccc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC001349921676 954931173 /nfs/dbraw/zinc/93/11/73/954931173.db2.gz PRHLWFJIUUFMCY-SNVBAGLBSA-N 1 0 324.337 0.792 20 5 DCBDRO CN1C[C@@H](CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1=O ZINC001352086162 955509539 /nfs/dbraw/zinc/50/95/39/955509539.db2.gz BMUYOZBCQOHTEL-UNXYVOJBSA-N 1 0 307.354 0.953 20 5 DCBDRO COc1c(O)ccc(C[NH2+]CC[C@]2(O)CCOC2)c1[N+](=O)[O-] ZINC001308847201 960183192 /nfs/dbraw/zinc/18/31/92/960183192.db2.gz DOTHTJYDMCEOCU-AWEZNQCLSA-N 1 0 312.322 0.940 20 5 DCBDRO Cc1cnc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001316823100 960393659 /nfs/dbraw/zinc/39/36/59/960393659.db2.gz BZGKIUYWWXNANW-CHWSQXEVSA-N 1 0 307.354 0.388 20 5 DCBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001450601667 1015241682 /nfs/dbraw/zinc/24/16/82/1015241682.db2.gz KCNQYLMWDPUTIB-ZETCQYMHSA-N 1 0 317.733 0.158 20 5 DCBDRO Nc1ncc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC001464582161 1015924774 /nfs/dbraw/zinc/92/47/74/1015924774.db2.gz QGUHNMWLENNYGM-LLVKDONJSA-N 1 0 305.338 0.882 20 5 DCBDRO CC(C)OCC[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001508202892 1016705279 /nfs/dbraw/zinc/70/52/79/1016705279.db2.gz PGWJKGCJMNJNLH-ZIAGYGMSSA-N 1 0 311.382 0.825 20 5 DCBDRO C[C@@H]1C[C@H](NC(=O)c2cnc(N)c([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC001545709851 1005557489 /nfs/dbraw/zinc/55/74/89/1005557489.db2.gz MNKCMHGGRSJIEQ-SCZZXKLOSA-N 1 0 305.338 0.927 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@@H]21 ZINC001557976358 1012311886 /nfs/dbraw/zinc/31/18/86/1012311886.db2.gz IGKBXEHLHOMOJS-ONGXEEELSA-N 1 0 305.338 0.738 20 5 DCBDRO C[C@H]1[C@@H](NC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC001558424811 1012353920 /nfs/dbraw/zinc/35/39/20/1012353920.db2.gz BKZBFOLSGYKCGX-JQWIXIFHSA-N 1 0 321.333 0.995 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558548850 1012364177 /nfs/dbraw/zinc/36/41/77/1012364177.db2.gz IMFRIYVDBUUIFG-VIFPVBQESA-N 1 0 306.322 0.380 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CCN(CCO)C[C@@H]1C ZINC001562587894 1012493065 /nfs/dbraw/zinc/49/30/65/1012493065.db2.gz VCHWPWXKOIRMHQ-NSHDSACASA-N 1 0 323.353 0.250 20 5 DCBDRO CNC(=O)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090548735 185302372 /nfs/dbraw/zinc/30/23/72/185302372.db2.gz GJBLDCNMWKEOCZ-LLVKDONJSA-N 1 0 308.338 0.215 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000415358021 529730233 /nfs/dbraw/zinc/73/02/33/529730233.db2.gz SUBAUCRDYJBXHN-SNVBAGLBSA-N 1 0 320.349 0.903 20 5 DCBDRO C[NH2+]CCCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415304445 529967167 /nfs/dbraw/zinc/96/71/67/529967167.db2.gz HCLMYNYMXZHBMR-UHFFFAOYSA-N 1 0 314.729 0.912 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000331746436 234075820 /nfs/dbraw/zinc/07/58/20/234075820.db2.gz ZHGZJIJXNYAQNL-DZGCQCFKSA-N 1 0 324.381 0.901 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000174675656 198368296 /nfs/dbraw/zinc/36/82/96/198368296.db2.gz LCHDZWNTHDWVQJ-WDEREUQCSA-N 1 0 307.354 0.945 20 5 DCBDRO Cc1c(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000077817767 191781454 /nfs/dbraw/zinc/78/14/54/191781454.db2.gz PQHNHJDJMZSUDU-NSHDSACASA-N 1 0 320.349 0.910 20 5 DCBDRO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000372748794 283338451 /nfs/dbraw/zinc/33/84/51/283338451.db2.gz LFQSLHDWIVFYME-OSMZGAPFSA-N 1 0 320.349 0.342 20 5 DCBDRO CCS(=O)(=O)N1CC(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000190286195 237431912 /nfs/dbraw/zinc/43/19/12/237431912.db2.gz IBXXKHNYIATFNT-UHFFFAOYSA-N 1 0 313.379 0.966 20 5 DCBDRO C[NH2+]C[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000316952259 291255032 /nfs/dbraw/zinc/25/50/32/291255032.db2.gz LPKSQHBPCOCGQK-NSHDSACASA-N 1 0 307.354 0.494 20 5 DCBDRO O=C(C[C@@H]1C[NH2+]CCO1)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000423731143 240245370 /nfs/dbraw/zinc/24/53/70/240245370.db2.gz XLAACEMGLKGHNU-SECBINFHSA-N 1 0 305.294 0.788 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424081157 240252969 /nfs/dbraw/zinc/25/29/69/240252969.db2.gz WINKAOQTFOYPER-FOGDFJRCSA-N 1 0 309.370 0.932 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000567470913 291356826 /nfs/dbraw/zinc/35/68/26/291356826.db2.gz VMUPNXZMGXFDON-JTQLQIEISA-N 1 0 314.367 0.658 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000571940083 291540638 /nfs/dbraw/zinc/54/06/38/291540638.db2.gz RLDMUEFEXFICDS-DGCLKSJQSA-N 1 0 318.333 0.287 20 5 DCBDRO Cc1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000572900636 291597992 /nfs/dbraw/zinc/59/79/92/291597992.db2.gz MCCLJHFQGHGNMG-RYUDHWBXSA-N 1 0 318.333 0.287 20 5 DCBDRO NS(=O)(=O)c1ccc(NC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000044502786 183415851 /nfs/dbraw/zinc/41/58/51/183415851.db2.gz KMLABAPVDNCEAM-SECBINFHSA-N 1 0 314.367 0.654 20 5 DCBDRO CNc1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000574517161 291699516 /nfs/dbraw/zinc/69/95/16/291699516.db2.gz VNEKPVZXTMWLEZ-NSHDSACASA-N 1 0 307.354 0.351 20 5 DCBDRO COC(=O)CC[C@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000288593742 220269665 /nfs/dbraw/zinc/26/96/65/220269665.db2.gz JWYIZBOQUPHISP-JTQLQIEISA-N 1 0 307.306 0.764 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000415308206 532955844 /nfs/dbraw/zinc/95/58/44/532955844.db2.gz YWFTXIIBQGTYMO-LLVKDONJSA-N 1 0 306.322 0.662 20 5 DCBDRO COc1cc(S(=O)(=O)NCC2([NH3+])CCC2)ccc1[N+](=O)[O-] ZINC000342495473 253502723 /nfs/dbraw/zinc/50/27/23/253502723.db2.gz JPHKSENMFMSYAG-UHFFFAOYSA-N 1 0 315.351 0.763 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000348541287 254243452 /nfs/dbraw/zinc/24/34/52/254243452.db2.gz UFJUCRRXDXOBBE-HNNXBMFYSA-N 1 0 318.333 0.916 20 5 DCBDRO Cc1c(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000351541085 254345268 /nfs/dbraw/zinc/34/52/68/254345268.db2.gz POFRPDPSJVYMMJ-LLVKDONJSA-N 1 0 306.322 0.710 20 5 DCBDRO COC(=O)CNC(=O)[C@@H](C)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000285246603 131151409 /nfs/dbraw/zinc/15/14/09/131151409.db2.gz GYHWEGIEPPOVJU-LLVKDONJSA-N 1 0 323.349 0.747 20 5 DCBDRO CN1CCO[C@H]2CN(CC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000121133744 132151580 /nfs/dbraw/zinc/15/15/80/132151580.db2.gz CDMALGGDWNTUPN-KBPBESRZSA-N 1 0 320.349 0.548 20 5 DCBDRO O=[N+]([O-])c1c(N2CCC([NH2+]CCO)CC2)nc2sccn21 ZINC000270556277 395783866 /nfs/dbraw/zinc/78/38/66/395783866.db2.gz JAQLBEHTLQMOCB-UHFFFAOYSA-N 1 0 311.367 0.855 20 5 DCBDRO NC(=O)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000194361466 395794947 /nfs/dbraw/zinc/79/49/47/395794947.db2.gz DBSNKWVLDPVUKH-LBPRGKRZSA-N 1 0 323.349 0.532 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1COCCN1 ZINC000235775909 395892830 /nfs/dbraw/zinc/89/28/30/395892830.db2.gz YFSFLQPBVRXNBQ-JTQLQIEISA-N 1 0 315.351 0.170 20 5 DCBDRO NC(=O)[C@@H](Cc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000273497598 395925357 /nfs/dbraw/zinc/92/53/57/395925357.db2.gz XUOYDNQEJJPQQI-CYBMUJFWSA-N 1 0 303.322 0.478 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000053254838 395878958 /nfs/dbraw/zinc/87/89/58/395878958.db2.gz DHQNUBDLGYGWQI-VIFPVBQESA-N 1 0 315.351 0.634 20 5 DCBDRO NS(=O)(=O)c1ccc(NC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC000053255107 395879195 /nfs/dbraw/zinc/87/91/95/395879195.db2.gz DFQLFODRFJAQNH-QMMMGPOBSA-N 1 0 300.340 0.406 20 5 DCBDRO C[C@H](CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)[N@H+](C)C1CC1 ZINC000057703654 395947294 /nfs/dbraw/zinc/94/72/94/395947294.db2.gz HXIUHABLESCWNB-SNVBAGLBSA-N 1 0 308.338 0.355 20 5 DCBDRO CN(C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 ZINC000136819097 395948486 /nfs/dbraw/zinc/94/84/86/395948486.db2.gz GOLGSPUYMDMUDJ-CHWSQXEVSA-N 1 0 314.363 0.747 20 5 DCBDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246455690 395950444 /nfs/dbraw/zinc/95/04/44/395950444.db2.gz MZZGNDKGPULQQS-IPYPFGDCSA-N 1 0 323.397 0.711 20 5 DCBDRO COc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000142740408 395960025 /nfs/dbraw/zinc/96/00/25/395960025.db2.gz BMIAINIBSGXJHC-UHFFFAOYSA-N 1 0 322.365 0.814 20 5 DCBDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000150801953 395973668 /nfs/dbraw/zinc/97/36/68/395973668.db2.gz YYZKXDQQPCVRBX-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO CO[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261854518 396072609 /nfs/dbraw/zinc/07/26/09/396072609.db2.gz JSKIKQAKDDTDHC-STQMWFEESA-N 1 0 322.365 0.632 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261679588 396055276 /nfs/dbraw/zinc/05/52/76/396055276.db2.gz MIXDVQHBTFCMRJ-GXFFZTMASA-N 1 0 311.363 0.967 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000277215197 396055759 /nfs/dbraw/zinc/05/57/59/396055759.db2.gz VZEDWTBXQHABSE-GFCCVEGCSA-N 1 0 322.365 0.579 20 5 DCBDRO CC[N@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000068960676 396067262 /nfs/dbraw/zinc/06/72/62/396067262.db2.gz AXHMTHAHDYAQBO-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000068960621 396067358 /nfs/dbraw/zinc/06/73/58/396067358.db2.gz KYBLSRVBJIBZNE-UHFFFAOYSA-N 1 0 317.367 0.833 20 5 DCBDRO CC[N@H+](C)CCNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-] ZINC000066373520 396006257 /nfs/dbraw/zinc/00/62/57/396006257.db2.gz UJGSDMGGZXPRTC-UHFFFAOYSA-N 1 0 316.383 0.867 20 5 DCBDRO O=C(C[C@@H]1COCC[NH2+]1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000262031616 396091578 /nfs/dbraw/zinc/09/15/78/396091578.db2.gz FCOJMEQOLBFNJU-GFCCVEGCSA-N 1 0 308.338 0.501 20 5 DCBDRO CNC(=O)CC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000170782823 396097971 /nfs/dbraw/zinc/09/79/71/396097971.db2.gz JKGHMEKKBXLHGL-GFCCVEGCSA-N 1 0 311.338 0.402 20 5 DCBDRO NS(=O)(=O)c1ccc(N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071397683 396113222 /nfs/dbraw/zinc/11/32/22/396113222.db2.gz ZNJAIWQFOZPRMB-QMMMGPOBSA-N 1 0 300.340 0.406 20 5 DCBDRO NS(=O)(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071397682 396113693 /nfs/dbraw/zinc/11/36/93/396113693.db2.gz ZNJAIWQFOZPRMB-MRVPVSSYSA-N 1 0 300.340 0.406 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000262546125 396153696 /nfs/dbraw/zinc/15/36/96/396153696.db2.gz VEGVACCXCCPWFB-ZETCQYMHSA-N 1 0 301.324 0.075 20 5 DCBDRO CO[C@H](C[NH3+])CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000262835633 396186131 /nfs/dbraw/zinc/18/61/31/396186131.db2.gz IIKKUXNUXHUNGV-JQWIXIFHSA-N 1 0 323.353 0.366 20 5 DCBDRO NC(=O)C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCOCC1 ZINC000181930159 396244100 /nfs/dbraw/zinc/24/41/00/396244100.db2.gz ZAWUHRAHSAOAPO-NSHDSACASA-N 1 0 311.342 0.052 20 5 DCBDRO CC[C@](C)([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182198732 396248081 /nfs/dbraw/zinc/24/80/81/396248081.db2.gz XAVZUNDVDONNGK-YGRLFVJLSA-N 1 0 311.338 0.578 20 5 DCBDRO COCC[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000264276275 396266094 /nfs/dbraw/zinc/26/60/94/396266094.db2.gz NRZGKBKMJLZEJH-ZDUSSCGKSA-N 1 0 314.338 0.275 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000184379151 396293313 /nfs/dbraw/zinc/29/33/13/396293313.db2.gz WXBDDCIDSOSAND-UHFFFAOYSA-N 1 0 310.354 0.827 20 5 DCBDRO COc1cccc(N2CCN(C(=O)C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000185171122 396320057 /nfs/dbraw/zinc/32/00/57/396320057.db2.gz YNTKJVSGJHBSNO-UHFFFAOYSA-N 1 0 322.365 0.814 20 5 DCBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000269146259 396388970 /nfs/dbraw/zinc/38/89/70/396388970.db2.gz IAYCTPNYJKGPSY-SECBINFHSA-N 1 0 307.306 0.848 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c(C)c1[N+](=O)[O-] ZINC000269265259 396402287 /nfs/dbraw/zinc/40/22/87/396402287.db2.gz KKNXQACKLRFBSZ-SKDRFNHKSA-N 1 0 309.370 0.994 20 5 DCBDRO C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000580171756 396491470 /nfs/dbraw/zinc/49/14/70/396491470.db2.gz VMVAHZOCEDOEHA-SMDDNHRTSA-N 1 0 321.381 0.940 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC[C@@H]1[NH3+] ZINC000595101824 396548627 /nfs/dbraw/zinc/54/86/27/396548627.db2.gz GDYNNUKYDJUEHY-SCZZXKLOSA-N 1 0 300.340 0.348 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC23CC[NH2+]CC3)nc1 ZINC000595112066 396550906 /nfs/dbraw/zinc/55/09/06/396550906.db2.gz RIYQPAFYIPCYES-JTQLQIEISA-N 1 0 312.351 0.410 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)C[C@H]21 ZINC000374622146 396676660 /nfs/dbraw/zinc/67/66/60/396676660.db2.gz KKCFQVDBATZKNC-CYZMBNFOSA-N 1 0 320.349 0.342 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000588867016 396696599 /nfs/dbraw/zinc/69/65/99/396696599.db2.gz UYDSQIPZYGNMKN-ZDUSSCGKSA-N 1 0 324.381 0.826 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000588863788 396697230 /nfs/dbraw/zinc/69/72/30/396697230.db2.gz OZJBYOQARXWQCD-JTQLQIEISA-N 1 0 306.322 0.728 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000588864669 396697270 /nfs/dbraw/zinc/69/72/70/396697270.db2.gz MYOGAYXUHAPNLN-GFCCVEGCSA-N 1 0 322.365 0.821 20 5 DCBDRO CNC(=O)c1ccc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301637030 396717083 /nfs/dbraw/zinc/71/70/83/396717083.db2.gz FMFXIHFFJDCXIH-KBPBESRZSA-N 1 0 320.349 0.474 20 5 DCBDRO C[C@@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000589583203 396718794 /nfs/dbraw/zinc/71/87/94/396718794.db2.gz RBMIWWTUHKLCQP-SCZZXKLOSA-N 1 0 309.326 0.220 20 5 DCBDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)c1cc([N+](=O)[O-])nn1C ZINC000563722363 396772507 /nfs/dbraw/zinc/77/25/07/396772507.db2.gz FSXIDLQMKVLRNO-JTQLQIEISA-N 1 0 313.358 0.151 20 5 DCBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000610881623 396775496 /nfs/dbraw/zinc/77/54/96/396775496.db2.gz MDXSVUXIOYFYIL-GFCCVEGCSA-N 1 0 324.385 0.965 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2COc3ccccc3C2)c1 ZINC000328284786 396822378 /nfs/dbraw/zinc/82/23/78/396822378.db2.gz ZMLLRXZUPBNRLI-JSGCOSHPSA-N 1 0 318.333 0.746 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000611200262 396833617 /nfs/dbraw/zinc/83/36/17/396833617.db2.gz ZLOZPKCLKJBCST-LLVKDONJSA-N 1 0 323.353 0.645 20 5 DCBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC[C@@H](O)C1 ZINC000600530488 396885164 /nfs/dbraw/zinc/88/51/64/396885164.db2.gz HDMPUWQWHDJPBD-GFCCVEGCSA-N 1 0 322.365 0.580 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000600535149 396885195 /nfs/dbraw/zinc/88/51/95/396885195.db2.gz WJIWFFVAADYYQL-SECBINFHSA-N 1 0 323.305 0.120 20 5 DCBDRO CNc1c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600536478 396887116 /nfs/dbraw/zinc/88/71/16/396887116.db2.gz VUOSAURNMJUQAT-SNVBAGLBSA-N 1 0 308.338 0.433 20 5 DCBDRO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000591291903 396895021 /nfs/dbraw/zinc/89/50/21/396895021.db2.gz IHUWIJQFGOIPDY-LLVKDONJSA-N 1 0 306.322 0.792 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[NH2+][C@@H]3C2)n1 ZINC000591437751 396920516 /nfs/dbraw/zinc/92/05/16/396920516.db2.gz KANHBKSCLUXFKF-MWLCHTKSSA-N 1 0 306.322 0.965 20 5 DCBDRO C[NH2+]CCCN(C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000336833262 396939683 /nfs/dbraw/zinc/93/96/83/396939683.db2.gz GMXXWSRETKIZPL-UHFFFAOYSA-N 1 0 305.331 0.964 20 5 DCBDRO O=C(NCC1C[NH2+]C1)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000591682148 396977700 /nfs/dbraw/zinc/97/77/00/396977700.db2.gz ZBGIPJYHWIFZCY-UHFFFAOYSA-N 1 0 320.349 0.381 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000592306623 397147990 /nfs/dbraw/zinc/14/79/90/397147990.db2.gz CYSJWMKGCXSOQP-KOLCDFICSA-N 1 0 311.342 0.064 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000592333572 397154267 /nfs/dbraw/zinc/15/42/67/397154267.db2.gz KQGUOQBBYSKHDO-JTQLQIEISA-N 1 0 308.338 0.508 20 5 DCBDRO [NH3+]C1CCC(NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000592366988 397161253 /nfs/dbraw/zinc/16/12/53/397161253.db2.gz WWMDZJJGGXWRER-UHFFFAOYSA-N 1 0 300.340 0.538 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000592366776 397161737 /nfs/dbraw/zinc/16/17/37/397161737.db2.gz IYIUNIMAXCCRND-VIFPVBQESA-N 1 0 315.351 0.573 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000592379947 397163764 /nfs/dbraw/zinc/16/37/64/397163764.db2.gz BTBOQOKDFOUBJU-BDAKNGLRSA-N 1 0 300.340 0.538 20 5 DCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592376430 397163886 /nfs/dbraw/zinc/16/38/86/397163886.db2.gz LMXWZAHQGSCMBQ-DTWKUNHWSA-N 1 0 300.340 0.361 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000592381647 397163939 /nfs/dbraw/zinc/16/39/39/397163939.db2.gz IFIXKBPLXWIRGR-QMMMGPOBSA-N 1 0 303.340 0.619 20 5 DCBDRO [NH3+]C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000592429210 397174077 /nfs/dbraw/zinc/17/40/77/397174077.db2.gz BYBPOIGMYCCNIW-NSHDSACASA-N 1 0 309.322 0.526 20 5 DCBDRO C[NH+](C)CC1CN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000601423814 397114767 /nfs/dbraw/zinc/11/47/67/397114767.db2.gz NEPCLOFATFCXLH-UHFFFAOYSA-N 1 0 300.340 0.172 20 5 DCBDRO C[C@H]1CN(c2ncnc(N3CCOCC3)c2[N+](=O)[O-])CC[NH2+]1 ZINC000601981791 397280086 /nfs/dbraw/zinc/28/00/86/397280086.db2.gz YLYTUAICCGARGY-JTQLQIEISA-N 1 0 308.342 0.020 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1CC([NH3+])C1 ZINC000385096777 397284223 /nfs/dbraw/zinc/28/42/23/397284223.db2.gz YZWHJIJVVYIAOE-UHFFFAOYSA-N 1 0 315.351 0.714 20 5 DCBDRO COC(=O)c1ccnc(NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000598614634 397258993 /nfs/dbraw/zinc/25/89/93/397258993.db2.gz MJBKWXHSJCOXAL-CYBMUJFWSA-N 1 0 310.310 0.255 20 5 DCBDRO CNC(=O)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)c([N+](=O)[O-])c1 ZINC000599083015 397332389 /nfs/dbraw/zinc/33/23/89/397332389.db2.gz GPTAWWAHEHYPDZ-YABSGUDNSA-N 1 0 304.350 0.951 20 5 DCBDRO Cc1ccnc(N2CC(C[NH+]3CCN(C)CC3)C2)c1[N+](=O)[O-] ZINC000599107475 397339401 /nfs/dbraw/zinc/33/94/01/397339401.db2.gz LIUYVYXVSCBEMQ-UHFFFAOYSA-N 1 0 305.382 0.982 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NC[C@@H]1COCC[NH2+]1 ZINC000602551958 397437497 /nfs/dbraw/zinc/43/74/97/397437497.db2.gz PZIYTMNXYUXWMS-SNVBAGLBSA-N 1 0 313.741 0.895 20 5 DCBDRO C[C@@H](CNc1cccc([N+](=O)[O-])c1S(N)(=O)=O)C[NH+](C)C ZINC000578296537 397415609 /nfs/dbraw/zinc/41/56/09/397415609.db2.gz GIQPAHHDDRQEHB-VIFPVBQESA-N 1 0 316.383 0.852 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000602828577 397496125 /nfs/dbraw/zinc/49/61/25/397496125.db2.gz HIBBBYLZSDDKJJ-OCCSQVGLSA-N 1 0 323.397 0.895 20 5 DCBDRO O=C(NCCOc1ccc([N+](=O)[O-])cc1)NC[C@@H]1COCC[NH2+]1 ZINC000599921134 397540701 /nfs/dbraw/zinc/54/07/01/397540701.db2.gz DCIAPYKMZOKOJM-LLVKDONJSA-N 1 0 324.337 0.261 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609383575 397773516 /nfs/dbraw/zinc/77/35/16/397773516.db2.gz VKTOACGGZIBQGV-GFCCVEGCSA-N 1 0 307.354 0.782 20 5 DCBDRO C[N@@H+]1CCCN(CCCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000609619863 397786920 /nfs/dbraw/zinc/78/69/20/397786920.db2.gz PJNGKNGRDDQPPV-UHFFFAOYSA-N 1 0 310.354 0.945 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C1 ZINC000609665105 397788595 /nfs/dbraw/zinc/78/85/95/397788595.db2.gz YCAZPNQFIAKEPL-LBPRGKRZSA-N 1 0 321.381 0.775 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000070447477 158047830 /nfs/dbraw/zinc/04/78/30/158047830.db2.gz RSUAZCOBQMNGTJ-SNVBAGLBSA-N 1 0 317.367 0.865 20 5 DCBDRO O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CC[NH2+]CC1 ZINC000159401214 158352741 /nfs/dbraw/zinc/35/27/41/158352741.db2.gz KVVFJHYRNUDOHW-UHFFFAOYSA-N 1 0 301.306 0.826 20 5 DCBDRO NCC(F)(F)C[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000162635016 158360801 /nfs/dbraw/zinc/36/08/01/158360801.db2.gz XEHZKPKNJZSYCQ-UHFFFAOYSA-N 1 0 309.294 0.608 20 5 DCBDRO COC(=O)COc1ccc(CN2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000261982430 158760610 /nfs/dbraw/zinc/76/06/10/158760610.db2.gz RNOONXXHSZHNJG-NSHDSACASA-N 1 0 323.349 0.940 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000318793689 159007454 /nfs/dbraw/zinc/00/74/54/159007454.db2.gz ZQTRCWHHAFDUPE-ZJUUUORDSA-N 1 0 305.338 0.929 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000330512347 159184591 /nfs/dbraw/zinc/18/45/91/159184591.db2.gz CGJPOMBKGPJZBS-UHFFFAOYSA-N 1 0 310.358 0.027 20 5 DCBDRO CN(C(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000359295403 159263627 /nfs/dbraw/zinc/26/36/27/159263627.db2.gz CLYYNBYPJYSWDC-VXGBXAGGSA-N 1 0 304.350 0.709 20 5 DCBDRO NC(=O)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000367308140 159330341 /nfs/dbraw/zinc/33/03/41/159330341.db2.gz NIGKXEAYXUPCPF-WCQYABFASA-N 1 0 323.349 0.532 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1 ZINC000368404213 159391833 /nfs/dbraw/zinc/39/18/33/159391833.db2.gz KIHDZTBJACZHEP-QWHCGFSZSA-N 1 0 309.370 0.322 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000261919132 286933270 /nfs/dbraw/zinc/93/32/70/286933270.db2.gz IRKPLAFTAAABIS-WDEREUQCSA-N 1 0 324.385 0.681 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H](C)C[NH3+] ZINC000441597594 286933274 /nfs/dbraw/zinc/93/32/74/286933274.db2.gz KLHLYRCGKZXEEZ-PSASIEDQSA-N 1 0 312.374 0.538 20 5 DCBDRO COCCc1noc(CN(C)CCn2ccc([N+](=O)[O-])n2)n1 ZINC000151065700 287031659 /nfs/dbraw/zinc/03/16/59/287031659.db2.gz XDXSQVSEGFKHOU-UHFFFAOYSA-N 1 0 310.314 0.495 20 5 DCBDRO O=C(NCC1C[NH2+]C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000262057026 287127575 /nfs/dbraw/zinc/12/75/75/287127575.db2.gz XPFQYGHIJTUKQR-UHFFFAOYSA-N 1 0 301.306 0.730 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](C2CCCC2)CC1 ZINC000129616242 196062749 /nfs/dbraw/zinc/06/27/49/196062749.db2.gz CQLXARCMYTYQKF-UHFFFAOYSA-N 1 0 308.342 0.273 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419151596 287270250 /nfs/dbraw/zinc/27/02/50/287270250.db2.gz NGZNGZPJWIWFGK-GHMZBOCLSA-N 1 0 320.349 0.722 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc1[N+](=O)[O-] ZINC000419241326 287276593 /nfs/dbraw/zinc/27/65/93/287276593.db2.gz BVEGJRAHABKNOR-GHMZBOCLSA-N 1 0 322.365 0.886 20 5 DCBDRO C[C@H](O)C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332162241 415276055 /nfs/dbraw/zinc/27/60/55/415276055.db2.gz ALLJPHCNSAUGNF-NSHDSACASA-N 1 0 319.365 0.970 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1COC[C@H]1O ZINC000352816216 415333325 /nfs/dbraw/zinc/33/33/25/415333325.db2.gz NIGFHOYABAIRKR-QWHCGFSZSA-N 1 0 309.322 0.615 20 5 DCBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCN3CCOCC3)CC2)n1 ZINC000332351860 415359222 /nfs/dbraw/zinc/35/92/22/415359222.db2.gz YNFLOXVQDFVOBU-UHFFFAOYSA-N 1 0 309.370 0.760 20 5 DCBDRO CCOCCOCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000276248918 415457512 /nfs/dbraw/zinc/45/75/12/415457512.db2.gz MZWUKNRQLBUXRT-UHFFFAOYSA-N 1 0 313.354 0.741 20 5 DCBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000288864649 415694721 /nfs/dbraw/zinc/69/47/21/415694721.db2.gz LGTNCTGVRMVDID-LLVKDONJSA-N 1 0 324.385 0.871 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000121173786 415797068 /nfs/dbraw/zinc/79/70/68/415797068.db2.gz HQSWWDKWCNGQOH-YPMHNXCESA-N 1 0 322.365 0.555 20 5 DCBDRO C[C@H]1CN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC[N@@H+](C2CC2)C1 ZINC000295423978 415891720 /nfs/dbraw/zinc/89/17/20/415891720.db2.gz UDZKGHBGBCELBI-LLVKDONJSA-N 1 0 307.354 0.734 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1cc(F)cc([N+](=O)[O-])c1N ZINC000153388802 415981212 /nfs/dbraw/zinc/98/12/12/415981212.db2.gz DSEUXLQLWCUYEY-ZDUSSCGKSA-N 1 0 314.317 0.359 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000344897039 416003910 /nfs/dbraw/zinc/00/39/10/416003910.db2.gz FEYFTYIINFZIOP-VIFPVBQESA-N 1 0 317.367 0.832 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)C[NH+](C)C ZINC000344924663 416008424 /nfs/dbraw/zinc/00/84/24/416008424.db2.gz WGADLTLZOIYTRK-SECBINFHSA-N 1 0 317.367 0.832 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000174878005 416089415 /nfs/dbraw/zinc/08/94/15/416089415.db2.gz OFKARHOTDRJHHN-ZDUSSCGKSA-N 1 0 309.370 0.588 20 5 DCBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000357910289 416151702 /nfs/dbraw/zinc/15/17/02/416151702.db2.gz FFFJAMVYGFUFCJ-GFCCVEGCSA-N 1 0 324.385 0.815 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2N)C1 ZINC000358039547 416175380 /nfs/dbraw/zinc/17/53/80/416175380.db2.gz CLFCRJXIZQEPQZ-CYBMUJFWSA-N 1 0 312.301 0.113 20 5 DCBDRO CC[NH+]1CCC(N(C)C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000330636779 416219578 /nfs/dbraw/zinc/21/95/78/416219578.db2.gz VHPAPQOQCLBLQS-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467853 416317181 /nfs/dbraw/zinc/31/71/81/416317181.db2.gz HTOFUTBTIDQAJV-QPUJVOFHSA-N 1 0 305.338 0.785 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000261919125 416335896 /nfs/dbraw/zinc/33/58/96/416335896.db2.gz IRKPLAFTAAABIS-MNOVXSKESA-N 1 0 324.385 0.681 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000415507057 416345835 /nfs/dbraw/zinc/34/58/35/416345835.db2.gz BYBPPWRKPREKQI-QMMMGPOBSA-N 1 0 308.338 0.861 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000415850609 416356177 /nfs/dbraw/zinc/35/61/77/416356177.db2.gz XMPFEWMKKBCKQW-HQJQHLMTSA-N 1 0 310.285 0.478 20 5 DCBDRO O=C(NCCCN1CC[NH2+]CC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000237728676 416328753 /nfs/dbraw/zinc/32/87/53/416328753.db2.gz WKIDGMLSHHATJC-UHFFFAOYSA-N 1 0 310.329 0.759 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360831796 416412670 /nfs/dbraw/zinc/41/26/70/416412670.db2.gz IHHPTRSPTHCABG-AWEZNQCLSA-N 1 0 307.354 0.702 20 5 DCBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423684709 416540224 /nfs/dbraw/zinc/54/02/24/416540224.db2.gz RUXOOKGKJCWQBF-MNOVXSKESA-N 1 0 322.365 0.897 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[N+](=O)[O-] ZINC000597699574 416596592 /nfs/dbraw/zinc/59/65/92/416596592.db2.gz KFOKFOWATQFIQC-GXSJLCMTSA-N 1 0 307.354 1.196 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)c1[N+](=O)[O-] ZINC000597699575 416596923 /nfs/dbraw/zinc/59/69/23/416596923.db2.gz KFOKFOWATQFIQC-KOLCDFICSA-N 1 0 307.354 1.196 20 5 DCBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000423993743 416602946 /nfs/dbraw/zinc/60/29/46/416602946.db2.gz RCNNDCQZFVTYOJ-NSHDSACASA-N 1 0 311.363 0.792 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000424024120 416606172 /nfs/dbraw/zinc/60/61/72/416606172.db2.gz QRDAVRJZHNWVBN-CYBMUJFWSA-N 1 0 309.322 0.550 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(c2cccc(C(N)=O)c2[N+](=O)[O-])C[C@H]1C ZINC000439156232 416608787 /nfs/dbraw/zinc/60/87/87/416608787.db2.gz LLUKAJSGHNWQOS-GHMZBOCLSA-N 1 0 322.365 0.585 20 5 DCBDRO CC[NH+](CC)CCCNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000439141492 416608872 /nfs/dbraw/zinc/60/88/72/416608872.db2.gz NFCVUQIMWOIUMU-UHFFFAOYSA-N 1 0 310.354 0.605 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000423893757 416584896 /nfs/dbraw/zinc/58/48/96/416584896.db2.gz CXLLUAOYVMPKFU-DRZSPHRISA-N 1 0 307.354 0.828 20 5 DCBDRO C[C@@H]1CC2(CN1C(=O)Cn1cnc([N+](=O)[O-])n1)CC[NH2+]CC2 ZINC000424235241 416631085 /nfs/dbraw/zinc/63/10/85/416631085.db2.gz KRAALINPWHBIKH-SNVBAGLBSA-N 1 0 308.342 0.177 20 5 DCBDRO C[N@H+]1CC=C(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000544835787 416661975 /nfs/dbraw/zinc/66/19/75/416661975.db2.gz KVJGLOUGJSIZHR-UHFFFAOYSA-N 1 0 312.351 0.530 20 5 DCBDRO C[C@@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000548386580 416687158 /nfs/dbraw/zinc/68/71/58/416687158.db2.gz GKEZOWRXMOPZPI-JTQLQIEISA-N 1 0 307.354 1.034 20 5 DCBDRO COC(=O)c1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000515059486 416690253 /nfs/dbraw/zinc/69/02/53/416690253.db2.gz WVTVYZZXZARMMM-LLVKDONJSA-N 1 0 307.306 0.815 20 5 DCBDRO CN1CCC([N@@H+]2CC[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)CC1 ZINC000369265344 416737424 /nfs/dbraw/zinc/73/74/24/416737424.db2.gz FWRPTPWFFGRURQ-SNVBAGLBSA-N 1 0 321.385 0.547 20 5 DCBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000516948451 416758962 /nfs/dbraw/zinc/75/89/62/416758962.db2.gz COBNWIAZQYDCQM-BPNCWPANSA-N 1 0 322.365 0.529 20 5 DCBDRO COc1cccc(N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c1[N+](=O)[O-] ZINC000516938248 416759333 /nfs/dbraw/zinc/75/93/33/416759333.db2.gz MLTDMHXSSFCPLL-NXEZZACHSA-N 1 0 306.322 0.352 20 5 DCBDRO COc1cc(CCNC(=O)[C@H]2CC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000444161511 416810207 /nfs/dbraw/zinc/81/02/07/416810207.db2.gz OWKLJUCUVQRXJY-SNVBAGLBSA-N 1 0 309.322 0.633 20 5 DCBDRO O=C(Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000518767239 416874361 /nfs/dbraw/zinc/87/43/61/416874361.db2.gz BCORZNLZGBPVFC-UHFFFAOYSA-N 1 0 317.309 0.375 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000429334279 416962922 /nfs/dbraw/zinc/96/29/22/416962922.db2.gz POFBCEZZHLOMLK-MWLCHTKSSA-N 1 0 324.385 0.648 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000429334280 416964000 /nfs/dbraw/zinc/96/40/00/416964000.db2.gz POFBCEZZHLOMLK-ONGXEEELSA-N 1 0 324.385 0.648 20 5 DCBDRO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000519521475 416906910 /nfs/dbraw/zinc/90/69/10/416906910.db2.gz BADHIRGWQQVOEB-ZIAGYGMSSA-N 1 0 305.334 0.856 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(CCOc3cccc([N+](=O)[O-])c3)CCN2C1=O ZINC000521069239 416991686 /nfs/dbraw/zinc/99/16/86/416991686.db2.gz CZCKOANKISPCGO-OCCSQVGLSA-N 1 0 320.349 0.217 20 5 DCBDRO COc1ccc(NC(=O)CN2CCC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC000430595021 417047093 /nfs/dbraw/zinc/04/70/93/417047093.db2.gz WXQNRANVKPRPAV-JTQLQIEISA-N 1 0 308.338 0.965 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2cc([N+](=O)[O-])cn2C)CC1 ZINC000522186621 417054652 /nfs/dbraw/zinc/05/46/52/417054652.db2.gz MGRIATOKLKMXIK-UHFFFAOYSA-N 1 0 309.370 0.301 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H]([NH3+])C1 ZINC000430641023 417055628 /nfs/dbraw/zinc/05/56/28/417055628.db2.gz SAACTOWXMCZADC-NXEZZACHSA-N 1 0 308.338 0.963 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000524337645 417105121 /nfs/dbraw/zinc/10/51/21/417105121.db2.gz MHTOOULLDCWNFH-CQSZACIVSA-N 1 0 321.381 0.640 20 5 DCBDRO CN1CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000569104274 417214716 /nfs/dbraw/zinc/21/47/16/417214716.db2.gz BYDKGTBLGMRPGU-GFCCVEGCSA-N 1 0 322.365 0.465 20 5 DCBDRO O=C(COc1ccccc1[N+](=O)[O-])NC[C@H]1C[NH2+]CCCO1 ZINC000449702881 417167662 /nfs/dbraw/zinc/16/76/62/417167662.db2.gz DXRLYMCAUOBIFN-LLVKDONJSA-N 1 0 309.322 0.468 20 5 DCBDRO Cc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000414656746 417292816 /nfs/dbraw/zinc/29/28/16/417292816.db2.gz JDBBCKVEGXNBIR-LBPRGKRZSA-N 1 0 307.354 0.928 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000569260505 417233620 /nfs/dbraw/zinc/23/36/20/417233620.db2.gz VSHWJJGKOQAHOD-SNVBAGLBSA-N 1 0 308.338 0.579 20 5 DCBDRO Cc1c(NC(=O)NCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000414691936 417296177 /nfs/dbraw/zinc/29/61/77/417296177.db2.gz CFIRENADCXHPPZ-UHFFFAOYSA-N 1 0 307.354 0.930 20 5 DCBDRO COc1cc(CNC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])cc1OC ZINC000415094523 417329182 /nfs/dbraw/zinc/32/91/82/417329182.db2.gz KDIJSJDLEJXIMG-NSHDSACASA-N 1 0 311.338 0.690 20 5 DCBDRO CC[NH+]1CCC(CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])CC1 ZINC000570737002 417385279 /nfs/dbraw/zinc/38/52/79/417385279.db2.gz KYVDOAMCKVBLQC-UHFFFAOYSA-N 1 0 321.381 1.493 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000570833151 417397229 /nfs/dbraw/zinc/39/72/29/417397229.db2.gz KCPTZCHGYKBQPV-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000415365219 417374018 /nfs/dbraw/zinc/37/40/18/417374018.db2.gz IWYUYIOMXACDGC-UHFFFAOYSA-N 1 0 314.729 0.912 20 5 DCBDRO Cc1cc(C[C@@H](C)[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[nH]n1 ZINC000571198743 417433563 /nfs/dbraw/zinc/43/35/63/417433563.db2.gz XJGQKPHYONPVIQ-NOZJJQNGSA-N 1 0 308.342 0.405 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000576347490 417602898 /nfs/dbraw/zinc/60/28/98/417602898.db2.gz GSSRNHHNGRJZBA-PWSUYJOCSA-N 1 0 311.363 0.919 20 5 DCBDRO C[C@@H]1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C[C@H](C)[N@H+]1CCO ZINC000456256770 417639931 /nfs/dbraw/zinc/63/99/31/417639931.db2.gz XNJNHRBMDFXFID-AOOOYVTPSA-N 1 0 324.337 0.223 20 5 DCBDRO O=C(COC1C[NH2+]C1)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000578885684 417687537 /nfs/dbraw/zinc/68/75/37/417687537.db2.gz HHTRMAJJNBKBAA-UHFFFAOYSA-N 1 0 317.305 0.912 20 5 DCBDRO CC1(C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCCO[C@H]21 ZINC000451480635 287465997 /nfs/dbraw/zinc/46/59/97/287465997.db2.gz QTNDKWJYIURSQZ-REWJHTLYSA-N 1 0 324.381 0.945 20 5 DCBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000304338320 261173356 /nfs/dbraw/zinc/17/33/56/261173356.db2.gz XPLBSDDBVGCSFJ-MCIONIFRSA-N 1 0 312.370 0.778 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])nn2C)CC1 ZINC000356164104 261398097 /nfs/dbraw/zinc/39/80/97/261398097.db2.gz ZFVKQPBSMLHTKI-UHFFFAOYSA-N 1 0 324.385 0.086 20 5 DCBDRO COc1cc(CN2CCO[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000357965662 261607709 /nfs/dbraw/zinc/60/77/09/261607709.db2.gz LAUGZDKXPADNIA-NSHDSACASA-N 1 0 311.338 0.772 20 5 DCBDRO [NH3+]C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000358432491 261667487 /nfs/dbraw/zinc/66/74/87/261667487.db2.gz RZEQVGYLZVUOGN-ZETCQYMHSA-N 1 0 307.353 0.005 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000362750348 262067331 /nfs/dbraw/zinc/06/73/31/262067331.db2.gz ORDCIZOCTCBQNA-GFCCVEGCSA-N 1 0 322.369 0.671 20 5 DCBDRO COc1ccc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000417176107 262247327 /nfs/dbraw/zinc/24/73/27/262247327.db2.gz BUWZFIZCJXZMPB-TXEJJXNPSA-N 1 0 320.349 0.964 20 5 DCBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000417920335 262265378 /nfs/dbraw/zinc/26/53/78/262265378.db2.gz YTJBWFDGZPTMII-GFCCVEGCSA-N 1 0 312.374 0.806 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)NC[C@H]1C[NH2+]CCO1 ZINC000417950526 262265975 /nfs/dbraw/zinc/26/59/75/262265975.db2.gz WDEUHNSVGSOUKB-CYBMUJFWSA-N 1 0 308.338 0.425 20 5 DCBDRO C[NH2+]CCNC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000418320895 262274584 /nfs/dbraw/zinc/27/45/84/262274584.db2.gz WVYRVHVMSQLSRE-UHFFFAOYSA-N 1 0 307.354 0.646 20 5 DCBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418770982 262288380 /nfs/dbraw/zinc/28/83/80/262288380.db2.gz QYIRPSPBCUDQIT-CQSZACIVSA-N 1 0 322.365 0.767 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418779434 262289198 /nfs/dbraw/zinc/28/91/98/262289198.db2.gz JXZMWERCUPTCML-ZWNOBZJWSA-N 1 0 322.365 0.872 20 5 DCBDRO C[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418780492 262289352 /nfs/dbraw/zinc/28/93/52/262289352.db2.gz KQJADPJTIWFSNJ-UWVGGRQHSA-N 1 0 308.338 0.578 20 5 DCBDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000418788043 262289950 /nfs/dbraw/zinc/28/99/50/262289950.db2.gz VAHLENRSGNNGGC-CMPLNLGQSA-N 1 0 320.349 0.640 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418791728 262290287 /nfs/dbraw/zinc/29/02/87/262290287.db2.gz YWUZIZIIMPXAEH-GHMZBOCLSA-N 1 0 322.365 0.886 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418925209 262298645 /nfs/dbraw/zinc/29/86/45/262298645.db2.gz QZPNWSBOPSRNNG-CYBMUJFWSA-N 1 0 322.365 0.353 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419158409 262314778 /nfs/dbraw/zinc/31/47/78/262314778.db2.gz XOCVZSJXICMCIH-ZJUUUORDSA-N 1 0 306.322 0.332 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419842011 262348587 /nfs/dbraw/zinc/34/85/87/262348587.db2.gz LAKQSIRJFWTLLT-LBPRGKRZSA-N 1 0 320.349 0.421 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@H]1C[NH2+]CCN1C ZINC000420276863 262368573 /nfs/dbraw/zinc/36/85/73/262368573.db2.gz PNJFPSYFUVIIHJ-NSHDSACASA-N 1 0 307.354 0.270 20 5 DCBDRO C[NH2+]CCCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420401526 262373215 /nfs/dbraw/zinc/37/32/15/262373215.db2.gz GQBFQTMMOBDEAC-UHFFFAOYSA-N 1 0 301.368 0.666 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000356237716 271037743 /nfs/dbraw/zinc/03/77/43/271037743.db2.gz VCDBMFRGCXQZAP-CQSZACIVSA-N 1 0 307.354 0.886 20 5 DCBDRO COC[C@]1(CNC(=O)CCn2cc([N+](=O)[O-])cn2)CCC[NH2+]1 ZINC000357273308 271047955 /nfs/dbraw/zinc/04/79/55/271047955.db2.gz OLKHRDNMGIEMHA-CYBMUJFWSA-N 1 0 311.342 0.066 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000415434278 271238791 /nfs/dbraw/zinc/23/87/91/271238791.db2.gz HMTFXYTYCBGLFJ-LLVKDONJSA-N 1 0 308.338 0.941 20 5 DCBDRO CC(C)(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)n1cc([N+](=O)[O-])cn1 ZINC000449722729 271861223 /nfs/dbraw/zinc/86/12/23/271861223.db2.gz QCOXQTWEQHTYQG-QMMMGPOBSA-N 1 0 323.275 0.922 20 5 DCBDRO CO[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000459755164 272007375 /nfs/dbraw/zinc/00/73/75/272007375.db2.gz JSQWGMIDMFPLBO-FRRDWIJNSA-N 1 0 310.354 0.699 20 5 DCBDRO C[NH+](C)CCOCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000471626732 272027862 /nfs/dbraw/zinc/02/78/62/272027862.db2.gz KNYHDWXCICDTIA-UHFFFAOYSA-N 1 0 317.367 0.451 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000492602029 272136705 /nfs/dbraw/zinc/13/67/05/272136705.db2.gz HAGKCAMBGIEBME-LFAOLKIESA-N 1 0 305.334 0.791 20 5 DCBDRO CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CC[NH2+]C1 ZINC000179104234 273786349 /nfs/dbraw/zinc/78/63/49/273786349.db2.gz GFENCTSLSLFPPN-SNVBAGLBSA-N 1 0 316.317 0.870 20 5 DCBDRO C[N@@H+]1CCO[C@H]2CN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@H]21 ZINC000342707505 277131766 /nfs/dbraw/zinc/13/17/66/277131766.db2.gz STPBRYODZDQITJ-NEPJUHHUSA-N 1 0 306.322 0.213 20 5 DCBDRO Cn1cc(C(C)(C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000546704312 288027509 /nfs/dbraw/zinc/02/75/09/288027509.db2.gz AAXHXGWKTBYJDE-LBPRGKRZSA-N 1 0 308.342 0.411 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000548747380 288172889 /nfs/dbraw/zinc/17/28/89/288172889.db2.gz FEPUNASFHOBVGC-SNVBAGLBSA-N 1 0 309.326 0.112 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])C2)CC1 ZINC000549181312 288194152 /nfs/dbraw/zinc/19/41/52/288194152.db2.gz OQLXOCIXRHZNRR-LLVKDONJSA-N 1 0 322.369 0.170 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H](O)C(F)F)c1 ZINC000563887329 288712053 /nfs/dbraw/zinc/71/20/53/288712053.db2.gz GFLZHQDFIADULS-ONGXEEELSA-N 1 0 306.265 0.550 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565239887 288837189 /nfs/dbraw/zinc/83/71/89/288837189.db2.gz NMWBLBPILRZDFH-NWDGAFQWSA-N 1 0 324.768 0.992 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CCN2C1=O ZINC000565548307 288861632 /nfs/dbraw/zinc/86/16/32/288861632.db2.gz GOECLQQRMGLDNW-ONGXEEELSA-N 1 0 322.296 0.118 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000565831879 288881240 /nfs/dbraw/zinc/88/12/40/288881240.db2.gz CFVGPQKIUIQKQU-PWSUYJOCSA-N 1 0 309.370 0.933 20 5 DCBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000423691267 288980721 /nfs/dbraw/zinc/98/07/21/288980721.db2.gz YYTMMSICWFZLGE-KOLCDFICSA-N 1 0 321.333 0.857 20 5 DCBDRO C[N@@H+]1CCO[C@@H]2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])C[C@@H]21 ZINC000343277615 290087102 /nfs/dbraw/zinc/08/71/02/290087102.db2.gz FIKAHNRFMIYVTN-QWHCGFSZSA-N 1 0 320.349 0.603 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@@H]21 ZINC000570569937 332775369 /nfs/dbraw/zinc/77/53/69/332775369.db2.gz MBVXDUWDHAZTNO-KPXOXKRLSA-N 1 0 306.322 0.895 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000381454540 337133174 /nfs/dbraw/zinc/13/31/74/337133174.db2.gz HQDIBTRPUVHFGG-YUMQZZPRSA-N 1 0 303.340 0.617 20 5 DCBDRO CCn1cc([C@@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cn1 ZINC000583020352 337225719 /nfs/dbraw/zinc/22/57/19/337225719.db2.gz WBMPGPJKXOIJIL-MFKMUULPSA-N 1 0 308.342 0.719 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000575800702 341805277 /nfs/dbraw/zinc/80/52/77/341805277.db2.gz RJZVAWXUCJYIEU-QWRGUYRKSA-N 1 0 307.354 0.790 20 5 DCBDRO COCCO[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000189706806 524032836 /nfs/dbraw/zinc/03/28/36/524032836.db2.gz OZKKGIRRAQYAFY-CYBMUJFWSA-N 1 0 311.338 0.494 20 5 DCBDRO C[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000249127882 524290314 /nfs/dbraw/zinc/29/03/14/524290314.db2.gz XPLYIQFYZIYRBJ-CMPLNLGQSA-N 1 0 300.384 0.980 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000248980653 524850178 /nfs/dbraw/zinc/85/01/78/524850178.db2.gz FNKJEPNVPQRJFM-GARJFASQSA-N 1 0 307.354 0.986 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1CO ZINC000190899813 524974808 /nfs/dbraw/zinc/97/48/08/524974808.db2.gz TWYBHKCLTHIXSF-DYEKYZERSA-N 1 0 310.350 0.895 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237621815 525232906 /nfs/dbraw/zinc/23/29/06/525232906.db2.gz PMKPFBAODOBESB-ZANVPECISA-N 1 0 320.349 0.567 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000155750658 527204371 /nfs/dbraw/zinc/20/43/71/527204371.db2.gz WOQGNLQPLSNQKF-CYBMUJFWSA-N 1 0 322.365 0.780 20 5 DCBDRO [NH3+]C[C@H]1CC[C@@H](C(=O)NCCNc2ccccc2[N+](=O)[O-])O1 ZINC000261696757 527239225 /nfs/dbraw/zinc/23/92/25/527239225.db2.gz HXAWUGGBWCHIPZ-MFKMUULPSA-N 1 0 308.338 0.629 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CCN1CC[NH+](CC2CC2)CC1 ZINC000159763294 527487310 /nfs/dbraw/zinc/48/73/10/527487310.db2.gz VVCYQVCBAOFRKA-UHFFFAOYSA-N 1 0 306.366 0.784 20 5 DCBDRO CC(C)[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000330993136 527853007 /nfs/dbraw/zinc/85/30/07/527853007.db2.gz STZMMYGPGPPWIV-ZIAGYGMSSA-N 1 0 311.386 0.424 20 5 DCBDRO NS(=O)(=O)c1ccc(OC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000051889226 545655344 /nfs/dbraw/zinc/65/53/44/545655344.db2.gz WVRRTBVHSONRDG-MRVPVSSYSA-N 1 0 301.324 0.231 20 5 DCBDRO COC[C@](C)([NH3+])CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736969241 598896580 /nfs/dbraw/zinc/89/65/80/598896580.db2.gz WABIJTYLFVWEMP-GFCCVEGCSA-N 1 0 307.314 0.551 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1)c1cn[nH]n1 ZINC001022350942 657779223 /nfs/dbraw/zinc/77/92/23/657779223.db2.gz RNQQMBKEOYQVGU-PHIMTYICSA-N 1 0 316.321 0.764 20 5 DCBDRO C[NH2+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000121131692 657811018 /nfs/dbraw/zinc/81/10/18/657811018.db2.gz LJQREGQCFBVBMT-UHFFFAOYSA-N 1 0 322.365 0.771 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2c(C)ncc2[N+](=O)[O-])C1 ZINC000933798444 657811846 /nfs/dbraw/zinc/81/18/46/657811846.db2.gz PHTMRANVBFNWRB-GFCCVEGCSA-N 1 0 309.370 0.900 20 5 DCBDRO CN1CC[C@H](NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000053686021 659497164 /nfs/dbraw/zinc/49/71/64/659497164.db2.gz BAUKMYHDIPBHCU-QMMMGPOBSA-N 1 0 303.315 0.716 20 5 DCBDRO Cc1nccnc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020140111 659671841 /nfs/dbraw/zinc/67/18/41/659671841.db2.gz YWUXIXFDGPKGTG-PRULPYPASA-N 1 0 305.338 0.187 20 5 DCBDRO C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000893027491 659684798 /nfs/dbraw/zinc/68/47/98/659684798.db2.gz VLHAWRNZVKYZON-RYUDHWBXSA-N 1 0 324.385 0.908 20 5 DCBDRO CCn1ccnc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983647717 661996495 /nfs/dbraw/zinc/99/64/95/661996495.db2.gz BLLCWRHWQYZFRR-FDYHWXHSSA-N 1 0 321.381 0.553 20 5 DCBDRO Cc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)no1 ZINC000983648986 661996848 /nfs/dbraw/zinc/99/68/48/661996848.db2.gz NCFIBPJKFVORKN-FPQZTECRSA-N 1 0 308.338 0.633 20 5 DCBDRO CCn1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC000983654585 661999772 /nfs/dbraw/zinc/99/97/72/661999772.db2.gz ORLKYBQIUJKGFE-FMKGYKFTSA-N 1 0 321.381 0.553 20 5 DCBDRO Cc1conc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC000983658150 662002457 /nfs/dbraw/zinc/00/24/57/662002457.db2.gz QKMJCBRNRYZJKZ-PRULPYPASA-N 1 0 308.338 0.633 20 5 DCBDRO O=C1NCC2(CCOCC2)[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000895772104 662214706 /nfs/dbraw/zinc/21/47/06/662214706.db2.gz CBJSBBIHAAPRQH-CYBMUJFWSA-N 1 0 305.334 0.980 20 5 DCBDRO C[N@H+](CCn1cccn1)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000985426222 662440141 /nfs/dbraw/zinc/44/01/41/662440141.db2.gz NPBDUISOQUBWMH-ZIAGYGMSSA-N 1 0 321.381 0.471 20 5 DCBDRO Cn1cncc1CN1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001000669784 665913749 /nfs/dbraw/zinc/91/37/49/665913749.db2.gz MCYDDQBSKQRANU-ZIAGYGMSSA-N 1 0 319.365 0.334 20 5 DCBDRO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000900804462 663281772 /nfs/dbraw/zinc/28/17/72/663281772.db2.gz MWYCTIKINDYQGF-DOMZBBRYSA-N 1 0 320.393 0.888 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000901235227 663332309 /nfs/dbraw/zinc/33/23/09/663332309.db2.gz SZXSUTZRZIPATO-DZGCQCFKSA-N 1 0 307.350 0.709 20 5 DCBDRO O=C(N[C@H](CO)C[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000908205622 663743681 /nfs/dbraw/zinc/74/36/81/663743681.db2.gz OLZZNMJSGCKGDW-NSHDSACASA-N 1 0 311.313 0.920 20 5 DCBDRO CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)C1 ZINC000941407221 665991362 /nfs/dbraw/zinc/99/13/62/665991362.db2.gz NCLBQFBZVRAZDB-ZIAGYGMSSA-N 1 0 310.398 0.280 20 5 DCBDRO O=C(C[C@]1(O)CCC[NH2+]C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000912184655 664146909 /nfs/dbraw/zinc/14/69/09/664146909.db2.gz ZGDWQOFKSVHHLZ-OAHLLOKOSA-N 1 0 305.334 0.989 20 5 DCBDRO CN(CC[N@H+](C)CCO)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC000912609099 664193968 /nfs/dbraw/zinc/19/39/68/664193968.db2.gz XUQTUZJFJMEBRC-UHFFFAOYSA-N 1 0 310.354 0.389 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc([N+](=O)[O-])c(F)cc3N)C[C@H]21 ZINC000861912874 666994896 /nfs/dbraw/zinc/99/48/96/666994896.db2.gz UNFLBZJKSLZDKQ-WOFXILAISA-N 1 0 308.313 0.948 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000923293783 667498581 /nfs/dbraw/zinc/49/85/81/667498581.db2.gz BLFCJLBQAJEUER-NWDGAFQWSA-N 1 0 320.349 0.452 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([NH2+]CCO)CC2)c1 ZINC000923411274 667529666 /nfs/dbraw/zinc/52/96/66/667529666.db2.gz BPIDTFZWDNTCEW-OAHLLOKOSA-N 1 0 309.366 0.675 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000879560194 669062449 /nfs/dbraw/zinc/06/24/49/669062449.db2.gz RXNUTQQKWCVJQJ-NTZNESFSSA-N 1 0 312.395 0.837 20 5 DCBDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000880433556 669210473 /nfs/dbraw/zinc/21/04/73/669210473.db2.gz OXSCHLPHMARBOS-CHWSQXEVSA-N 1 0 311.338 0.492 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000933437295 669491823 /nfs/dbraw/zinc/49/18/23/669491823.db2.gz ZYTUUWKSFJZDPA-CMPLNLGQSA-N 1 0 309.370 0.898 20 5 DCBDRO CN1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000933992875 669558908 /nfs/dbraw/zinc/55/89/08/669558908.db2.gz OUVWPKBVOZQJON-INIZCTEOSA-N 1 0 322.409 0.807 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934277117 669590272 /nfs/dbraw/zinc/59/02/72/669590272.db2.gz YQILRAAWGNWPRJ-ZIAGYGMSSA-N 1 0 323.397 0.631 20 5 DCBDRO CC(C)[N@@H+]1CCO[C@H](COC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000802137615 670152285 /nfs/dbraw/zinc/15/22/85/670152285.db2.gz SXLPLPFNSBJDIC-NSHDSACASA-N 1 0 312.326 0.444 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000194511501 670435609 /nfs/dbraw/zinc/43/56/09/670435609.db2.gz XWADRUMCDAFSFG-UHFFFAOYSA-N 1 0 321.381 0.496 20 5 DCBDRO COc1cccc([N+](=O)[O-])c1N1CCCN(CC(N)=O)CC1 ZINC000848652464 670708532 /nfs/dbraw/zinc/70/85/32/670708532.db2.gz RLNFDGDJGJFUOB-UHFFFAOYSA-N 1 0 308.338 0.601 20 5 DCBDRO O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C(=O)N[C@H]1CC[NH2+]C1 ZINC000850836725 670946843 /nfs/dbraw/zinc/94/68/43/670946843.db2.gz SGLBHNLGVGYGKL-ZETCQYMHSA-N 1 0 312.713 0.665 20 5 DCBDRO Cn1nccc1CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000819232628 671103931 /nfs/dbraw/zinc/10/39/31/671103931.db2.gz IOCHVMAURWBGER-CYBMUJFWSA-N 1 0 320.349 0.900 20 5 DCBDRO NC(=O)c1cc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)ccc1[N+](=O)[O-] ZINC000853242428 671223805 /nfs/dbraw/zinc/22/38/05/671223805.db2.gz SFCMRLLQDDMKMN-RYUDHWBXSA-N 1 0 320.349 0.969 20 5 DCBDRO O=[N+]([O-])c1ccc(Cc2noc(C[C@@H]3COCC[NH2+]3)n2)nc1 ZINC000822862103 671350719 /nfs/dbraw/zinc/35/07/19/671350719.db2.gz HQWADWLZKASTHR-SNVBAGLBSA-N 1 0 305.294 0.495 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000823276316 671382804 /nfs/dbraw/zinc/38/28/04/671382804.db2.gz PULGZWLJFMSVLQ-NWDGAFQWSA-N 1 0 307.354 0.652 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000825179368 671451804 /nfs/dbraw/zinc/45/18/04/671451804.db2.gz VXOIXLUEYSPTNQ-GFCCVEGCSA-N 1 0 324.293 0.611 20 5 DCBDRO C[NH+](C)CCOCCNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000825870344 671474171 /nfs/dbraw/zinc/47/41/71/671474171.db2.gz HXWRGRDBRPITRV-UHFFFAOYSA-N 1 0 321.341 0.765 20 5 DCBDRO Cc1cc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c(N)c([N+](=O)[O-])c1 ZINC000834316129 671753953 /nfs/dbraw/zinc/75/39/53/671753953.db2.gz AQJNBWSOIRCXCA-SKDRFNHKSA-N 1 0 308.338 0.674 20 5 DCBDRO C[C@@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834618802 671773492 /nfs/dbraw/zinc/77/34/92/671773492.db2.gz PJWYLRDVVOQWLD-JTQLQIEISA-N 1 0 308.338 0.508 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)Nc1c(C)c([N+](=O)[O-])ccc1F ZINC000841165966 671916646 /nfs/dbraw/zinc/91/66/46/671916646.db2.gz JHGPFIISKBJGKJ-UHFFFAOYSA-N 1 0 312.301 0.707 20 5 DCBDRO CN(C(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)C1C[NH2+]C1 ZINC000841246667 671923545 /nfs/dbraw/zinc/92/35/45/671923545.db2.gz ZDMHKFARPLPDLT-UHFFFAOYSA-N 1 0 312.713 0.617 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@@H](C)[C@H](C)[NH3+])c(F)ccc1[N+](=O)[O-] ZINC000841256268 671923586 /nfs/dbraw/zinc/92/35/86/671923586.db2.gz UMZPUZUPWJDOOD-YUMQZZPRSA-N 1 0 312.301 0.833 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H](CO)CN2CCCC2)cc1 ZINC000843114106 672063011 /nfs/dbraw/zinc/06/30/11/672063011.db2.gz CZKJZYLXKNPIDF-HIFRSBDPSA-N 1 0 309.366 0.675 20 5 DCBDRO Cn1cc(C[C@H](CO)[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000843115083 672063830 /nfs/dbraw/zinc/06/38/30/672063830.db2.gz KDNBSRRBEZLROQ-UKRRQHHQSA-N 1 0 320.349 0.555 20 5 DCBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@H]3CSCC[NH2+]3)n2)n1C ZINC000843221871 672071624 /nfs/dbraw/zinc/07/16/24/672071624.db2.gz MVKOFICREMYQQZ-QMMMGPOBSA-N 1 0 324.366 0.934 20 5 DCBDRO COc1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000843395910 672091679 /nfs/dbraw/zinc/09/16/79/672091679.db2.gz ULJCPIQMOQNASF-GFCCVEGCSA-N 1 0 323.349 0.988 20 5 DCBDRO O=C(CO[C@H]1CCC[NH2+]C1)NCCOc1ccc([N+](=O)[O-])cc1 ZINC000843436786 672095494 /nfs/dbraw/zinc/09/54/94/672095494.db2.gz IRSHYOYZZNIKSF-AWEZNQCLSA-N 1 0 323.349 0.858 20 5 DCBDRO Cc1c([N+](=O)[O-])cc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000843461798 672099241 /nfs/dbraw/zinc/09/92/41/672099241.db2.gz RCYUEBSBXNSCCL-JTQLQIEISA-N 1 0 324.293 0.611 20 5 DCBDRO CC(C)n1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001020139561 693710820 /nfs/dbraw/zinc/71/08/20/693710820.db2.gz FSXUDNZJAYMAHB-AAVRWANBSA-N 1 0 321.381 0.866 20 5 DCBDRO CCOCC[NH+]1CCC(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001568126264 1160580085 /nfs/dbraw/zinc/58/00/85/1160580085.db2.gz XGWGPVQSHQZRML-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO CCN(CC[NH2+]Cc1cn(C)nc1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568742123 1160756613 /nfs/dbraw/zinc/75/66/13/1160756613.db2.gz LYZDMHCUBCJAMP-CHWSQXEVSA-N 1 0 309.370 0.332 20 5 DCBDRO O=C(NC/C=C/C[NH2+]CC1CC(F)(F)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001568848175 1160814585 /nfs/dbraw/zinc/81/45/85/1160814585.db2.gz HOXZWFUSLBCLNG-COUIAZAYSA-N 1 0 303.309 0.959 20 5 DCBDRO C[C@]1(NC(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)CC[NH2+]C1 ZINC001573622484 1163516702 /nfs/dbraw/zinc/51/67/02/1163516702.db2.gz OEFPEOHSCALYAT-AWEZNQCLSA-N 1 0 316.321 0.657 20 5 DCBDRO [NH3+][C@@H]1C[C@H]1C1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC001574268378 1163680997 /nfs/dbraw/zinc/68/09/97/1163680997.db2.gz AHVDPOGHKNJODH-QWHCGFSZSA-N 1 0 320.349 0.342 20 5 DCBDRO C[C@@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[NH2+]CCO1 ZINC001576251516 1164280065 /nfs/dbraw/zinc/28/00/65/1164280065.db2.gz MFFWIKNTXZPMNE-RNCFNFMXSA-N 1 0 305.338 0.938 20 5 DCBDRO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC001578638903 1165073381 /nfs/dbraw/zinc/07/33/81/1165073381.db2.gz XAEJFZIHFJBFOI-BXUZGUMPSA-N 1 0 309.366 0.812 20 5 DCBDRO CON(CC[NH3+])C(=O)COc1ccc([N+](=O)[O-])c2cccnc12 ZINC001579105464 1165210104 /nfs/dbraw/zinc/21/01/04/1165210104.db2.gz KWBWDSOPCZZFQH-UHFFFAOYSA-N 1 0 320.305 0.871 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC001579877183 1165420076 /nfs/dbraw/zinc/42/00/76/1165420076.db2.gz CDVCRCDQPCCTLG-SRVKXCTJSA-N 1 0 307.354 0.686 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C1 ZINC001580380363 1165589681 /nfs/dbraw/zinc/58/96/81/1165589681.db2.gz VEYSOYVRVBPSTJ-LLVKDONJSA-N 1 0 301.306 0.954 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001580449571 1165605041 /nfs/dbraw/zinc/60/50/41/1165605041.db2.gz OQFFVIFOPVIZKR-UHFFFAOYSA-N 1 0 320.349 0.772 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]C[C@H]1O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC001580704487 1165692309 /nfs/dbraw/zinc/69/23/09/1165692309.db2.gz ZUSKQKDZLSQQPV-LDYMZIIASA-N 1 0 315.276 0.383 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@]1(F)C[NH2+]CC12COC2 ZINC001580718430 1165698331 /nfs/dbraw/zinc/69/83/31/1165698331.db2.gz IEFQDYUIPCNHKW-CQSZACIVSA-N 1 0 309.297 0.539 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)N1CCN(C2C[NH2+]C2)CC1 ZINC001580718757 1165698350 /nfs/dbraw/zinc/69/83/50/1165698350.db2.gz PDAFAHFQTDKDCO-UHFFFAOYSA-N 1 0 319.365 0.394 20 5 DCBDRO CC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C[C@H]1O ZINC001590522014 1166933307 /nfs/dbraw/zinc/93/33/07/1166933307.db2.gz GBUOQOCNTFKIJC-NOZJJQNGSA-N 1 0 318.337 0.978 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC001591181314 1167132280 /nfs/dbraw/zinc/13/22/80/1167132280.db2.gz YJZGPAGZVAYUOK-CYBMUJFWSA-N 1 0 319.325 0.253 20 5 DCBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001591190437 1167143308 /nfs/dbraw/zinc/14/33/08/1167143308.db2.gz BDIBSOSWRMLVSM-QMMMGPOBSA-N 1 0 318.341 0.863 20 5 DCBDRO C[C@@]1(O)CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C1 ZINC001603820270 1169404508 /nfs/dbraw/zinc/40/45/08/1169404508.db2.gz LMEJXYAPIAHMET-CYBMUJFWSA-N 1 0 304.310 0.732 20 5 DCBDRO Nc1c([N+](=O)[O-])ccc(NCC[NH+]2CCC2)c1-c1nn[nH]n1 ZINC001606451996 1170207364 /nfs/dbraw/zinc/20/73/64/1170207364.db2.gz WJYJIPHFWXZDMJ-UHFFFAOYSA-N 1 0 304.314 0.475 20 5 DCBDRO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NCC[N@H+]1CC=CCC1 ZINC001607076590 1170382934 /nfs/dbraw/zinc/38/29/34/1170382934.db2.gz ALXUBIBBHVSYCI-UHFFFAOYSA-N 1 0 316.325 0.844 20 5 DCBDRO C[C@H](Nc1nccc(C(N)=O)c1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001612950149 1171365559 /nfs/dbraw/zinc/36/55/59/1171365559.db2.gz GTWMTPXJHRVOSJ-ONGXEEELSA-N 1 0 322.369 0.135 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)n1 ZINC001618102457 1171395060 /nfs/dbraw/zinc/39/50/60/1171395060.db2.gz ZJPBCMRIFMVJLJ-QWRGUYRKSA-N 1 0 324.385 0.175 20 5 DCBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(NC(=O)NCCO)c2)CC1 ZINC001627711709 1171510422 /nfs/dbraw/zinc/51/04/22/1171510422.db2.gz WYASGYAOIIKXBJ-UHFFFAOYSA-N 1 0 323.353 0.460 20 5 DCBDRO CN(CC1C[NH+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001627697462 1171511135 /nfs/dbraw/zinc/51/11/35/1171511135.db2.gz PQIXXLKWRRVFID-UHFFFAOYSA-N 1 0 321.337 0.719 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001638739475 1171807504 /nfs/dbraw/zinc/80/75/04/1171807504.db2.gz MZWKLEJNGOJWAZ-LBPRGKRZSA-N 1 0 322.365 0.605 20 5 DCBDRO CNC(=O)C1([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001644528347 1172009180 /nfs/dbraw/zinc/00/91/80/1172009180.db2.gz DADBXUKGHACMMU-CYBMUJFWSA-N 1 0 323.349 0.513 20 5 DCBDRO NC(=O)c1cc(N2CC([NH2+][C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC001651457955 1173749136 /nfs/dbraw/zinc/74/91/36/1173749136.db2.gz VNGKUNYGLZWCGL-SECBINFHSA-N 1 0 306.322 0.261 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001653845581 1173794962 /nfs/dbraw/zinc/79/49/62/1173794962.db2.gz VTVJMKALWWBARG-SMDDNHRTSA-N 1 0 323.349 0.517 20 5 DCBDRO O=C(CC[N@@H+]1C[C@H](O)[C@H](CO)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001654687923 1173810226 /nfs/dbraw/zinc/81/02/26/1173810226.db2.gz FLWINVCBQOACRI-GWCFXTLKSA-N 1 0 309.322 0.208 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](c3nn[nH]n3)C2)cc1 ZINC001655439191 1173821037 /nfs/dbraw/zinc/82/10/37/1173821037.db2.gz JRRMSTAVPFSJMN-JQWIXIFHSA-N 1 0 304.310 0.631 20 5 DCBDRO Cn1ncc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1 ZINC001658156128 1173920596 /nfs/dbraw/zinc/92/05/96/1173920596.db2.gz IRTOODLVBTUNMM-UHFFFAOYSA-N 1 0 317.353 0.877 20 5 DCBDRO CC(=O)N[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC001659074060 1173929475 /nfs/dbraw/zinc/92/94/75/1173929475.db2.gz ZXZMNYJYUVDVSR-CHWSQXEVSA-N 1 0 323.349 0.545 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2C[C@@H]3COC[C@H]23)cc1 ZINC001659972534 1173937798 /nfs/dbraw/zinc/93/77/98/1173937798.db2.gz NEBVSASGLJFFID-COWZWYNKSA-N 1 0 308.334 0.614 20 5 DCBDRO C[N@@H+](Cc1cccc(=O)[nH]1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001660319398 1173976797 /nfs/dbraw/zinc/97/67/97/1173976797.db2.gz GVBCCJAALIRFBZ-GFCCVEGCSA-N 1 0 307.310 0.385 20 5 DCBDRO C[C@](Cn1cccn1)([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(N)=O ZINC001660572130 1174014047 /nfs/dbraw/zinc/01/40/47/1174014047.db2.gz GEPUDTOUJCIDDB-OAHLLOKOSA-N 1 0 317.349 0.868 20 5 DCBDRO C[C@@H](Cc1cccnc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001660577749 1174014853 /nfs/dbraw/zinc/01/48/53/1174014853.db2.gz PMJRJMSCJJESTB-FZMZJTMJSA-N 1 0 305.338 0.768 20 5 DCBDRO COc1ccc(C[NH2+]C[C@H](O)CS(C)(=O)=O)cc1[N+](=O)[O-] ZINC001663377762 1174292354 /nfs/dbraw/zinc/29/23/54/1174292354.db2.gz CBFSHFBNEXVENG-JTQLQIEISA-N 1 0 318.351 0.099 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000262488692 1185168743 /nfs/dbraw/zinc/16/87/43/1185168743.db2.gz UBQDHXNLVVIMGU-GHMZBOCLSA-N 1 0 322.365 0.827 20 5 DCBDRO NC(=O)CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001733240630 1186198887 /nfs/dbraw/zinc/19/88/87/1186198887.db2.gz DYFZTSIOVDNWRK-UHFFFAOYSA-N 1 0 306.322 0.209 20 5 DCBDRO O=C(NCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1)c1nnc[nH]1 ZINC001754529517 1188875157 /nfs/dbraw/zinc/87/51/57/1188875157.db2.gz OKEFKZWNFCNGMV-UHFFFAOYSA-N 1 0 316.321 0.765 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164399312 718833041 /nfs/dbraw/zinc/83/30/41/718833041.db2.gz SMYAOJHYICMGJJ-LBPRGKRZSA-N 1 0 314.349 0.632 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC001164666311 719375020 /nfs/dbraw/zinc/37/50/20/719375020.db2.gz DVMQZBJBFQRHQA-RYUDHWBXSA-N 1 0 322.321 0.296 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC000342703473 719485582 /nfs/dbraw/zinc/48/55/82/719485582.db2.gz KIDVSVIPUVXEGK-NEPJUHHUSA-N 1 0 322.321 0.296 20 5 DCBDRO CC(C)(C(=O)NC[C@@]1(C)C[NH2+]CCO1)n1cc([N+](=O)[O-])cn1 ZINC001576508319 1164369737 /nfs/dbraw/zinc/36/97/37/1164369737.db2.gz PYFAZQPEATVTAW-CYBMUJFWSA-N 1 0 311.342 0.021 20 5 DCBDRO COCCOCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124920373 751743589 /nfs/dbraw/zinc/74/35/89/751743589.db2.gz DYGXSOWIXHKOMR-UHFFFAOYSA-N 1 0 311.338 0.464 20 5 DCBDRO O=C(CCc1nnc[nH]1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001125419602 747125165 /nfs/dbraw/zinc/12/51/65/747125165.db2.gz MQLDYKPZVBMIBC-UHFFFAOYSA-N 1 0 318.337 0.552 20 5 DCBDRO Cn1ccc(C(=O)NCCNCc2c([N+](=O)[O-])ncn2C)c1 ZINC001125659255 747469233 /nfs/dbraw/zinc/46/92/33/747469233.db2.gz PZIYFKLCEQPNTR-UHFFFAOYSA-N 1 0 306.326 0.186 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1cc2c(c([N+](=O)[O-])c1)NN(C)C2 ZINC001167676833 747532041 /nfs/dbraw/zinc/53/20/41/747532041.db2.gz ANDKOQPDQKBZFW-UHFFFAOYSA-N 1 0 315.337 0.799 20 5 DCBDRO CN(C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccccc1 ZINC001126936481 750149725 /nfs/dbraw/zinc/14/97/25/750149725.db2.gz KJNOVFRLLUNSNE-CHWSQXEVSA-N 1 0 320.349 0.020 20 5 DCBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334052 762612123 /nfs/dbraw/zinc/61/21/23/762612123.db2.gz AGYGMRIWDFERSY-WBIUFABUSA-N 1 0 310.350 0.819 20 5 DCBDRO C[NH+](C)C[C@@H]1COCCN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001154962407 759101294 /nfs/dbraw/zinc/10/12/94/759101294.db2.gz RTFGCBIDBFJYFV-MRVPVSSYSA-N 1 0 301.734 0.805 20 5 DCBDRO Cc1nc(C)c(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC001086082924 759691412 /nfs/dbraw/zinc/69/14/12/759691412.db2.gz IBPXZXFCXUSGBR-YVECIDJPSA-N 1 0 322.365 0.941 20 5 DCBDRO COc1nc(C)nc(-n2cc3c(n2)CC[C@@H]([NH3+])C3)c1[N+](=O)[O-] ZINC001168806674 760464883 /nfs/dbraw/zinc/46/48/83/760464883.db2.gz CTBIJYLQKVNKRZ-SECBINFHSA-N 1 0 304.310 0.704 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](Cc2ccc(O)cc2)C(O)O)C1 ZINC001168984468 760530654 /nfs/dbraw/zinc/53/06/54/760530654.db2.gz OICRSWMQUOXPFV-OBJOEFQTSA-N 1 0 310.350 0.649 20 5 DCBDRO COC(=O)CC(CC(=O)OC)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168983723 760530824 /nfs/dbraw/zinc/53/08/24/760530824.db2.gz KWBKEOOCDYAZAX-UWVGGRQHSA-N 1 0 302.327 0.516 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCCCC2)C1 ZINC001168968444 760534336 /nfs/dbraw/zinc/53/43/36/760534336.db2.gz ZDJXLSBQIYJZMS-STQMWFEESA-N 1 0 319.427 0.837 20 5 DCBDRO COC(=O)[C@@H]1COCCC12C[NH+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2 ZINC001169036177 760554539 /nfs/dbraw/zinc/55/45/39/760554539.db2.gz FQMUZSNDVNRAAQ-UPJWGTAASA-N 1 0 312.366 0.943 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCN(c3ncc(O)cn3)CC2)C1 ZINC001169042117 760557137 /nfs/dbraw/zinc/55/71/37/760557137.db2.gz CYJMDWSZOJESSX-NWDGAFQWSA-N 1 0 307.354 0.750 20 5 DCBDRO COc1nc(C)nc(-n2nnc3ccc(C[NH3+])cc32)c1[N+](=O)[O-] ZINC001170017408 761521684 /nfs/dbraw/zinc/52/16/84/761521684.db2.gz RCYLZLIGWBAPFA-UHFFFAOYSA-N 1 0 315.293 0.894 20 5 DCBDRO CC(C)(C(N)=O)C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001129923889 763051569 /nfs/dbraw/zinc/05/15/69/763051569.db2.gz BWFKRRQNFANFGN-UHFFFAOYSA-N 1 0 308.338 0.312 20 5 DCBDRO O=C(Cc1ncc[nH]1)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001135760106 766095655 /nfs/dbraw/zinc/09/56/55/766095655.db2.gz IMEGQBZUSJHMPZ-UHFFFAOYSA-N 1 0 309.351 0.828 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1nccc(Cl)c1[N+](=O)[O-] ZINC001159860476 766287508 /nfs/dbraw/zinc/28/75/08/766287508.db2.gz AOOGUUYSMVSJNF-UHFFFAOYSA-N 1 0 302.718 0.971 20 5 DCBDRO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001118921535 766470519 /nfs/dbraw/zinc/47/05/19/766470519.db2.gz WYHBWUDXUZKCCW-ZJUUUORDSA-N 1 0 308.338 0.578 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C[C@@H]2COCCN2C)c1[N+](=O)[O-] ZINC001120059426 766891028 /nfs/dbraw/zinc/89/10/28/766891028.db2.gz NQNWWTVRHXRMKA-LLVKDONJSA-N 1 0 311.338 0.729 20 5 DCBDRO COCCn1c(C[N+](=O)[O-])nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC001122419240 767798560 /nfs/dbraw/zinc/79/85/60/767798560.db2.gz YVTWXPDRYOLASB-UHFFFAOYSA-N 1 0 312.374 0.232 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001150934784 769222532 /nfs/dbraw/zinc/22/25/32/769222532.db2.gz ALWNPQNYPQXVDR-LBPRGKRZSA-N 1 0 315.333 0.975 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC2(C[NH3+])COC2)c1F ZINC001173183650 769556438 /nfs/dbraw/zinc/55/64/38/769556438.db2.gz CPPLAYZYYYAUSS-SECBINFHSA-N 1 0 313.329 0.991 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(OC(=O)C[C@@H](O)C[N+](C)(C)C)n1 ZINC001234875041 769720379 /nfs/dbraw/zinc/72/03/79/769720379.db2.gz APKMEFFBEMRGKC-SECBINFHSA-N 1 0 314.318 0.361 20 5 DCBDRO O=C(Cn1ccnc1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001153487926 769827546 /nfs/dbraw/zinc/82/75/46/769827546.db2.gz SRWIAOJMYVATIW-UHFFFAOYSA-N 1 0 303.322 0.697 20 5 DCBDRO CCOC(=O)[C@]12CN(c3cc([N+](=O)[O-])ccn3)C[C@H]1C[NH2+]CC2 ZINC001154680604 770264577 /nfs/dbraw/zinc/26/45/77/770264577.db2.gz HUKISPQTDOADLM-IAQYHMDHSA-N 1 0 320.349 0.969 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001155482868 770519274 /nfs/dbraw/zinc/51/92/74/770519274.db2.gz IYOYDJZOJTUTEY-OPRDCNLKSA-N 1 0 309.326 0.348 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC001155528132 770536357 /nfs/dbraw/zinc/53/63/57/770536357.db2.gz YYICDULKXPXFGI-MXWKQRLJSA-N 1 0 323.353 0.738 20 5 DCBDRO CCC(=O)NCC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001155802167 770623637 /nfs/dbraw/zinc/62/36/37/770623637.db2.gz HGDKJUBUVMVMMN-UHFFFAOYSA-N 1 0 322.365 0.717 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC001178455660 770758438 /nfs/dbraw/zinc/75/84/38/770758438.db2.gz KBHHWSRLVNRJNL-MNOVXSKESA-N 1 0 324.385 0.648 20 5 DCBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])S(=O)(=O)CC[NH3+] ZINC001156237925 770759276 /nfs/dbraw/zinc/75/92/76/770759276.db2.gz DLILFMLENYWHOK-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO CC(C)Oc1nc(N(C)S(=O)(=O)CC[NH3+])ccc1[N+](=O)[O-] ZINC001156238306 770759304 /nfs/dbraw/zinc/75/93/04/770759304.db2.gz ICOFMZCNPCIFAE-UHFFFAOYSA-N 1 0 318.355 0.502 20 5 DCBDRO COC[C@H](O)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC001181223679 771253735 /nfs/dbraw/zinc/25/37/35/771253735.db2.gz SJWIXGBAWVZRLI-CYBMUJFWSA-N 1 0 310.354 0.556 20 5 DCBDRO Cn1ccc(C(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001151084248 771411704 /nfs/dbraw/zinc/41/17/04/771411704.db2.gz LHXJJWCBERBWHA-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO COc1nc(N2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001157266828 771571183 /nfs/dbraw/zinc/57/11/83/771571183.db2.gz XUWFHFKABGSUJS-VHSXEESVSA-N 1 0 323.353 0.932 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001158045529 771718859 /nfs/dbraw/zinc/71/88/59/771718859.db2.gz CYSAMAAKACQOFT-UHFFFAOYSA-N 1 0 312.293 0.673 20 5 DCBDRO [NH3+][C@@H]1CN(c2ncnc3ccc([N+](=O)[O-])cc32)CC12COC2 ZINC001158761477 771817869 /nfs/dbraw/zinc/81/78/69/771817869.db2.gz BVADUEOPRXQJNQ-GFCCVEGCSA-N 1 0 301.306 0.702 20 5 DCBDRO [NH3+][C@H]1CN(c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC12COC2 ZINC001158762490 771818851 /nfs/dbraw/zinc/81/88/51/771818851.db2.gz OUKTUOGIOMWDSS-QMMMGPOBSA-N 1 0 300.702 0.046 20 5 DCBDRO COC(=O)c1cnc(N2CC3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001159019444 771848282 /nfs/dbraw/zinc/84/82/82/771848282.db2.gz JUARXYLZTAMOIL-UHFFFAOYSA-N 1 0 306.322 0.966 20 5 DCBDRO COc1cnc(NCCOCCOCC[NH3+])c([N+](=O)[O-])c1 ZINC001159445068 771911268 /nfs/dbraw/zinc/91/12/68/771911268.db2.gz UNJSJKQVTIHPTQ-UHFFFAOYSA-N 1 0 300.315 0.402 20 5 DCBDRO C[C@@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001185801299 771957989 /nfs/dbraw/zinc/95/79/89/771957989.db2.gz DIMHQYJEYODTAQ-OLZOCXBDSA-N 1 0 322.413 0.791 20 5 DCBDRO COC(=O)c1ccnc(NCCN2CCC([NH3+])CC2)c1[N+](=O)[O-] ZINC001161867881 772291507 /nfs/dbraw/zinc/29/15/07/772291507.db2.gz UXCSVNKFPIKUNI-UHFFFAOYSA-N 1 0 323.353 0.611 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1c[n+]([O-])ccc1[N+](=O)[O-] ZINC001162538000 772388319 /nfs/dbraw/zinc/38/83/19/772388319.db2.gz WFALWEGJHBEULJ-UHFFFAOYSA-N 1 0 307.266 0.049 20 5 DCBDRO CC1(C)C(=O)NC[C@@H]1Nc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163015437 772444083 /nfs/dbraw/zinc/44/40/83/772444083.db2.gz MWGXXUMYKQGYDK-VIFPVBQESA-N 1 0 306.326 0.008 20 5 DCBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2C[NH2+][C@@H]3COC[C@H]23)s1 ZINC001163140177 772470208 /nfs/dbraw/zinc/47/02/08/772470208.db2.gz BUVOBIJXIWMFQG-IWSPIJDZSA-N 1 0 307.335 0.998 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2CCO[C@]3(CC[NH2+]C3)C2)n1 ZINC001163310805 772504037 /nfs/dbraw/zinc/50/40/37/772504037.db2.gz PTQSIXZEPMANMA-NOZJJQNGSA-N 1 0 309.326 0.716 20 5 DCBDRO C[NH+](C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1C(=O)NC1CC1 ZINC001163426933 772524017 /nfs/dbraw/zinc/52/40/17/772524017.db2.gz INWSNCILGPRORE-LLVKDONJSA-N 1 0 322.365 0.821 20 5 DCBDRO CNC(=O)[C@H](CCCC[NH3+])Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001163438405 772524717 /nfs/dbraw/zinc/52/47/17/772524717.db2.gz ILFNYLXVELFFGV-ZETCQYMHSA-N 1 0 316.749 0.694 20 5 DCBDRO O=[N+]([O-])c1cnc(N2C[C@H](F)C[C@H](CO)C2)nc1C1C[NH2+]C1 ZINC001164048259 772608865 /nfs/dbraw/zinc/60/88/65/772608865.db2.gz MYBBVIVRGPZOBS-WCBMZHEXSA-N 1 0 311.317 0.228 20 5 DCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC[C@]1(C)O ZINC001164354854 772649581 /nfs/dbraw/zinc/64/95/81/772649581.db2.gz VCQVIPHAVLWKKU-XPTSAGLGSA-N 1 0 307.354 0.669 20 5 DCBDRO O=[N+]([O-])c1ccc2ncc(N3CCOCC34C[NH2+]C4)nc2c1 ZINC001165287689 772718243 /nfs/dbraw/zinc/71/82/43/772718243.db2.gz LXXXYIVZSRPDPK-UHFFFAOYSA-N 1 0 301.306 0.717 20 5 DCBDRO Cc1ccnc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1[N+](=O)[O-] ZINC001165343429 772724966 /nfs/dbraw/zinc/72/49/66/772724966.db2.gz FHAXGAAETBKULZ-OAHLLOKOSA-N 1 0 322.365 0.884 20 5 DCBDRO O=[N+]([O-])c1cccc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)n1 ZINC001165344144 772725580 /nfs/dbraw/zinc/72/55/80/772725580.db2.gz NLGPTADPUOEJHR-AWEZNQCLSA-N 1 0 308.338 0.575 20 5 DCBDRO CC(C)(O)C[C@@H](O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763499 772815466 /nfs/dbraw/zinc/81/54/66/772815466.db2.gz JZIAVZHXWMMJDJ-WCQYABFASA-N 1 0 324.381 0.998 20 5 DCBDRO COC(=O)C1(Nc2nccc(OC)c2[N+](=O)[O-])CC[NH2+]CC1 ZINC001166922880 772880365 /nfs/dbraw/zinc/88/03/65/772880365.db2.gz KXIWFUQUVKLGGI-UHFFFAOYSA-N 1 0 310.310 0.706 20 5 DCBDRO NC(=O)C(=O)NCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001166923280 772880424 /nfs/dbraw/zinc/88/04/24/772880424.db2.gz FRSHBWOFSKIYRN-UHFFFAOYSA-N 1 0 320.349 0.456 20 5 DCBDRO COC(=O)c1ccnc(N2CC[C@H]([NH3+])C(F)(F)C2)c1[N+](=O)[O-] ZINC001166959540 772890096 /nfs/dbraw/zinc/89/00/96/772890096.db2.gz ZFXHJHHIUVKGDV-QMMMGPOBSA-N 1 0 316.264 0.949 20 5 DCBDRO CS(=O)(=O)N(c1ccc2c(cccc2[N+](=O)[O-])n1)C1C[NH2+]C1 ZINC001166967145 772892244 /nfs/dbraw/zinc/89/22/44/772892244.db2.gz AZXIPOVJWXJVPH-UHFFFAOYSA-N 1 0 322.346 0.881 20 5 DCBDRO Nc1ccc2n(C(=O)[C@H]3C[NH2+]CCN3)c3ccccc3cc-2c1=O ZINC001219256652 774425352 /nfs/dbraw/zinc/42/53/52/774425352.db2.gz VBQOCXCZLMTCQK-CQSZACIVSA-N 1 0 322.368 0.890 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)Cn1ccnn1 ZINC001202748467 775019758 /nfs/dbraw/zinc/01/97/58/775019758.db2.gz AYTSIYDIFVKCKU-GFCCVEGCSA-N 1 0 305.338 0.954 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1[nH]c(=S)nc2cnccc21 ZINC001227882713 776018253 /nfs/dbraw/zinc/01/82/53/776018253.db2.gz ZNNIAZGJQQFNQZ-SECBINFHSA-O 1 0 323.398 0.676 20 5 DCBDRO CC(=O)N(C)CC(=O)N(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001317571326 945064603 /nfs/dbraw/zinc/06/46/03/945064603.db2.gz TUEMMTMWRUBAEO-UHFFFAOYSA-N 1 0 322.365 0.621 20 5 DCBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCn1cc(Cl)cn1 ZINC001480863600 939039073 /nfs/dbraw/zinc/03/90/73/939039073.db2.gz ZCLTYHBFVWVPPU-GHMZBOCLSA-N 1 0 315.761 0.250 20 5 DCBDRO Cn1cc(CC[N@H+](CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C2CC2)cn1 ZINC001266592482 939173062 /nfs/dbraw/zinc/17/30/62/939173062.db2.gz QYTHHYUMKMDHDM-ZIAGYGMSSA-N 1 0 321.381 0.208 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cc[nH]c1 ZINC001481233568 939656553 /nfs/dbraw/zinc/65/65/53/939656553.db2.gz YYTQMQMSUGCTIC-UHFFFAOYSA-N 1 0 306.326 0.518 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001246143882 945347658 /nfs/dbraw/zinc/34/76/58/945347658.db2.gz JVPKZLCEYSLOQN-YVLXSGLVSA-N 1 0 304.350 0.694 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]CCOCC2CCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001490889448 943548628 /nfs/dbraw/zinc/54/86/28/943548628.db2.gz GETZUGUCENHMSU-AAVRWANBSA-N 1 0 311.382 0.705 20 5 DCBDRO COCC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC001491300921 943901369 /nfs/dbraw/zinc/90/13/69/943901369.db2.gz QBFSVVMHAIUGIZ-NHAGDIPZSA-N 1 0 305.334 0.788 20 5 DCBDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CNCCN2)c([N+](=O)[O-])c1 ZINC001246488277 945419444 /nfs/dbraw/zinc/41/94/44/945419444.db2.gz JLDSDOGKKCPDJI-AAEUAGOBSA-N 1 0 308.382 0.685 20 5 DCBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001318671069 945424488 /nfs/dbraw/zinc/42/44/88/945424488.db2.gz MQGZHXMIIODNQS-QWHCGFSZSA-N 1 0 322.365 0.746 20 5 DCBDRO COC(=O)[C@@H]1CN([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH3+] ZINC001246941456 945521007 /nfs/dbraw/zinc/52/10/07/945521007.db2.gz VTZCCAXGDSZYKA-HONMWMINSA-N 1 0 307.350 0.958 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@]2(O)CCC[NH2+]C2)n1 ZINC001247775366 945573957 /nfs/dbraw/zinc/57/39/57/945573957.db2.gz BOQJUXXTDSZBAT-CYBMUJFWSA-N 1 0 323.284 0.836 20 5 DCBDRO NC1(c2nc(-c3ncc(F)cc3[N+](=O)[O-])no2)CC[NH2+]CC1 ZINC001247965637 945585330 /nfs/dbraw/zinc/58/53/30/945585330.db2.gz KQMCKYDGFDPZSB-UHFFFAOYSA-N 1 0 308.273 0.716 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC001319438120 945585856 /nfs/dbraw/zinc/58/58/56/945585856.db2.gz IHVFYOZLVCUCMX-AWEZNQCLSA-N 1 0 310.354 0.679 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001261495258 947320537 /nfs/dbraw/zinc/32/05/37/947320537.db2.gz XVZAQRFNTGIDAI-HNNXBMFYSA-N 1 0 320.349 0.359 20 5 DCBDRO O=C(NCCc1ccccc1[N+](=O)[O-])N1CCNCC[NH2+]CC1 ZINC001262575777 947731545 /nfs/dbraw/zinc/73/15/45/947731545.db2.gz YNDRVQXKKOYLPM-UHFFFAOYSA-N 1 0 321.381 0.342 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001263111228 947810778 /nfs/dbraw/zinc/81/07/78/947810778.db2.gz WZAAXJCXUFCTNT-OAHLLOKOSA-N 1 0 318.377 0.989 20 5 DCBDRO CC[NH2+]CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001328503884 948928708 /nfs/dbraw/zinc/92/87/08/948928708.db2.gz AJQPMLAZDLYKPN-UHFFFAOYSA-N 1 0 320.349 0.489 20 5 DCBDRO C[NH+](C)C1(C)CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001332225434 951531625 /nfs/dbraw/zinc/53/16/25/951531625.db2.gz HNYUQSBTIFSNAE-UHFFFAOYSA-N 1 0 322.365 0.699 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC(N3CC[NH+](C)CC3)C2)c1 ZINC001333282137 951987054 /nfs/dbraw/zinc/98/70/54/951987054.db2.gz LUDHOXISFAWYKS-UHFFFAOYSA-N 1 0 318.377 0.975 20 5 DCBDRO CN1CC[NH2+]C[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001339933864 953132429 /nfs/dbraw/zinc/13/24/29/953132429.db2.gz FQQOIIVOXFATCQ-AWEZNQCLSA-N 1 0 304.350 0.383 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC001340162305 953150075 /nfs/dbraw/zinc/15/00/75/953150075.db2.gz FKGMECWMEOEWOT-CYBMUJFWSA-N 1 0 321.381 0.948 20 5 DCBDRO O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCc2c1cccc2[N+](=O)[O-] ZINC001343275938 953333021 /nfs/dbraw/zinc/33/30/21/953333021.db2.gz GDAVOAZDVZIRCO-HNNXBMFYSA-N 1 0 305.334 0.989 20 5 DCBDRO CN(C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001346343719 953864902 /nfs/dbraw/zinc/86/49/02/953864902.db2.gz GBMTVZLBPNSSNY-PJXYFTJBSA-N 1 0 319.317 0.656 20 5 DCBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CN(C)CCN1C ZINC001353316078 956016820 /nfs/dbraw/zinc/01/68/20/956016820.db2.gz MGUGECZBKXOADT-RCBQFDQVSA-N 1 0 322.409 0.852 20 5 DCBDRO O=C([C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1CO ZINC001358040375 957419315 /nfs/dbraw/zinc/41/93/15/957419315.db2.gz YPGYGTZWISCLCG-MELADBBJSA-N 1 0 305.334 0.491 20 5 DCBDRO CNc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001304077721 960076268 /nfs/dbraw/zinc/07/62/68/960076268.db2.gz BYANXSOWCCVOAL-SNVBAGLBSA-N 1 0 320.349 0.839 20 5 DCBDRO CON(C)C(=O)CC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001307999852 960163114 /nfs/dbraw/zinc/16/31/14/960163114.db2.gz PTOHPMPRPOZJRE-CQSZACIVSA-N 1 0 311.338 0.802 20 5 DCBDRO COc1c(O)ccc(C[NH2+]CC[C@@]2(O)CCOC2)c1[N+](=O)[O-] ZINC001308847202 960184431 /nfs/dbraw/zinc/18/44/31/960184431.db2.gz DOTHTJYDMCEOCU-CQSZACIVSA-N 1 0 312.322 0.940 20 5 DCBDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C2)C1 ZINC001472573006 1016829782 /nfs/dbraw/zinc/82/97/82/1016829782.db2.gz ZKFRSGZBCXDNAZ-CQSZACIVSA-N 1 0 306.322 0.863 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)C2CCCC2)c1 ZINC001473830614 1016977396 /nfs/dbraw/zinc/97/73/96/1016977396.db2.gz CSAOKJDSZYDMFJ-ZIAGYGMSSA-N 1 0 312.370 0.683 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(O)CC1 ZINC001556641285 1012214789 /nfs/dbraw/zinc/21/47/89/1012214789.db2.gz SUUHZCUINGYQAO-UHFFFAOYSA-N 1 0 308.338 0.485 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC001458623824 1012232629 /nfs/dbraw/zinc/23/26/29/1012232629.db2.gz WFGJMVWAXUGXSX-MRVPVSSYSA-N 1 0 300.340 0.358 20 5 DCBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@H]1C[N@H+](C)CCN1C ZINC001559284830 1012414569 /nfs/dbraw/zinc/41/45/69/1012414569.db2.gz RUXJKWCXSCIAGZ-IINYFYTJSA-N 1 0 321.381 0.740 20 5 DCBDRO COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001560972537 1012459892 /nfs/dbraw/zinc/45/98/92/1012459892.db2.gz PWVPRTWAVWTOOJ-ZUYNKMSQSA-N 1 0 324.337 0.663 20 5 DCBDRO O=C(NCC1([NH2+]CCC2CC2)CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001500570491 1018497441 /nfs/dbraw/zinc/49/74/41/1018497441.db2.gz GANMLRKQOZIJBM-CHWSQXEVSA-N 1 0 311.382 0.707 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1C[NH2+]C1 ZINC000090289909 185289474 /nfs/dbraw/zinc/28/94/74/185289474.db2.gz NCFRGUKLQOXUFY-UHFFFAOYSA-N 1 0 301.324 0.196 20 5 DCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000331022760 232358937 /nfs/dbraw/zinc/35/89/37/232358937.db2.gz ZMWBPZQFBDYPNB-NSHDSACASA-N 1 0 309.370 0.679 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@@H]2C1 ZINC000272634812 210038405 /nfs/dbraw/zinc/03/84/05/210038405.db2.gz XKLOWKJSLCQPST-DGCLKSJQSA-N 1 0 322.369 0.527 20 5 DCBDRO Cc1c(C(=O)NCC[C@H](C)[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000178673924 198909282 /nfs/dbraw/zinc/90/92/82/198909282.db2.gz PQSUDAHUHUPEIU-VIFPVBQESA-N 1 0 318.337 0.951 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153147386 237017083 /nfs/dbraw/zinc/01/70/83/237017083.db2.gz KVJWHMUTLWDNDE-AWEZNQCLSA-N 1 0 311.338 0.646 20 5 DCBDRO [NH3+]CCCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000160038800 237082827 /nfs/dbraw/zinc/08/28/27/237082827.db2.gz BBOUEAASZFACHP-VIFPVBQESA-N 1 0 310.310 0.257 20 5 DCBDRO C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000153800948 291208806 /nfs/dbraw/zinc/20/88/06/291208806.db2.gz QROYIYGMKSTVCX-LLVKDONJSA-N 1 0 320.349 0.991 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000281158692 216117949 /nfs/dbraw/zinc/11/79/49/216117949.db2.gz LGXHMTHXPOKZOL-CYBMUJFWSA-N 1 0 312.326 0.501 20 5 DCBDRO CCn1ncnc1CNC[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000566123344 291272319 /nfs/dbraw/zinc/27/23/19/291272319.db2.gz HKOCDPQBIZVPKQ-LBPRGKRZSA-N 1 0 321.337 0.736 20 5 DCBDRO CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[NH2+]C1 ZINC000566244597 291287421 /nfs/dbraw/zinc/28/74/21/291287421.db2.gz BWCJMKQEJVHBTE-GFCCVEGCSA-N 1 0 313.379 0.662 20 5 DCBDRO COc1cccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)c1[N+](=O)[O-] ZINC000566615265 291314939 /nfs/dbraw/zinc/31/49/39/291314939.db2.gz HOIZSFWFZXNREQ-JTQLQIEISA-N 1 0 308.338 0.237 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000271813116 209237968 /nfs/dbraw/zinc/23/79/68/209237968.db2.gz UPQCHBFZXDQLSB-HUUCEWRRSA-N 1 0 320.349 0.866 20 5 DCBDRO [NH3+][C@@H](CNC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000418868080 239848066 /nfs/dbraw/zinc/84/80/66/239848066.db2.gz MZSOWPBXWZTICQ-ZDUSSCGKSA-N 1 0 320.349 0.107 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000420416549 240024751 /nfs/dbraw/zinc/02/47/51/240024751.db2.gz JKXQCJSHCLPSNQ-LBPRGKRZSA-N 1 0 313.379 0.809 20 5 DCBDRO O=[N+]([O-])c1ccccc1CCS(=O)(=O)NC[C@H]1CC[NH2+]C1 ZINC000420436512 240029828 /nfs/dbraw/zinc/02/98/28/240029828.db2.gz OEXURIUTFXWLGO-NSHDSACASA-N 1 0 313.379 0.666 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])C[C@@H]1[NH3+] ZINC000420435036 240030288 /nfs/dbraw/zinc/03/02/88/240030288.db2.gz LQMRCQZYQCDASH-PWSUYJOCSA-N 1 0 313.379 0.746 20 5 DCBDRO C[C@@H](CNc1c(C(N)=O)cccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000420586143 240047768 /nfs/dbraw/zinc/04/77/68/240047768.db2.gz OLVDAOUYWOJBJO-NSHDSACASA-N 1 0 321.381 0.742 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423961670 240249024 /nfs/dbraw/zinc/24/90/24/240249024.db2.gz DJGSSRCYWBSZCS-UONOGXRCSA-N 1 0 315.333 0.663 20 5 DCBDRO Cc1nn(CCC(=O)N(C)[C@@H](C[NH3+])C2CC2)c(C)c1[N+](=O)[O-] ZINC000423957210 240249711 /nfs/dbraw/zinc/24/97/11/240249711.db2.gz ULIOMTOWHPTRMH-LBPRGKRZSA-N 1 0 309.370 0.994 20 5 DCBDRO C[C@@]1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC(=O)N1 ZINC000567698079 291370819 /nfs/dbraw/zinc/37/08/19/291370819.db2.gz ZIVVXJUFNAUTMX-DOMZBBRYSA-N 1 0 323.349 0.593 20 5 DCBDRO Cc1nccnc1CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000567697351 291370861 /nfs/dbraw/zinc/37/08/61/291370861.db2.gz VJTYNSMADNFDMG-LBPRGKRZSA-N 1 0 306.326 0.083 20 5 DCBDRO COc1ccc(CC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000567842408 291383962 /nfs/dbraw/zinc/38/39/62/291383962.db2.gz MNBRFCDOZIYPTC-LBPRGKRZSA-N 1 0 323.349 0.722 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000567861997 291385582 /nfs/dbraw/zinc/38/55/82/291385582.db2.gz BZBCKLIUWZWADM-UWVGGRQHSA-N 1 0 312.351 0.220 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCn2cncn2)c1 ZINC000568740653 291443297 /nfs/dbraw/zinc/44/32/97/291443297.db2.gz HDPLIOIURMKGAH-GFCCVEGCSA-N 1 0 307.310 0.216 20 5 DCBDRO Cn1ccnc1[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000572871138 291595349 /nfs/dbraw/zinc/59/53/49/291595349.db2.gz ZQNZEPRQVVHZIM-QWHCGFSZSA-N 1 0 320.353 0.627 20 5 DCBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000573054477 291607601 /nfs/dbraw/zinc/60/76/01/291607601.db2.gz LEEAPJOYBPOFMD-BPNCWPANSA-N 1 0 322.365 0.529 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCn1cccn1 ZINC000573521229 291637841 /nfs/dbraw/zinc/63/78/41/291637841.db2.gz KKYMCEOFIADOIN-GFCCVEGCSA-N 1 0 306.322 0.821 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000041908664 183224476 /nfs/dbraw/zinc/22/44/76/183224476.db2.gz JPMUIIUTHQUKGC-UHFFFAOYSA-N 1 0 307.354 0.275 20 5 DCBDRO O=C(NC1CC1)N[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000274055688 211313074 /nfs/dbraw/zinc/31/30/74/211313074.db2.gz SVJCAUBOQLSQKF-NSHDSACASA-N 1 0 308.342 0.327 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000574812908 291717821 /nfs/dbraw/zinc/71/78/21/291717821.db2.gz LMBVFPIYUDASBH-VHSXEESVSA-N 1 0 322.365 0.761 20 5 DCBDRO COc1ccc(S(=O)(=O)NC(C)(C)C[NH3+])c([N+](=O)[O-])c1 ZINC000063020545 184267284 /nfs/dbraw/zinc/26/72/84/184267284.db2.gz LDJVHUVJDIEJTJ-UHFFFAOYSA-N 1 0 303.340 0.619 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CCC[NH2+]CC2)cc([N+](=O)[O-])c1 ZINC000347512920 254163528 /nfs/dbraw/zinc/16/35/28/254163528.db2.gz MEKMRIWMZRCBAR-UHFFFAOYSA-N 1 0 307.306 0.817 20 5 DCBDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000347240078 254141303 /nfs/dbraw/zinc/14/13/03/254141303.db2.gz RXPUUEYQJFUJKW-LLVKDONJSA-N 1 0 310.354 0.462 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1F ZINC000347802009 254192202 /nfs/dbraw/zinc/19/22/02/254192202.db2.gz CPJSKXUWSDEOQM-UHFFFAOYSA-N 1 0 313.329 0.707 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000414661354 533226312 /nfs/dbraw/zinc/22/63/12/533226312.db2.gz WSIOBGLDELUDPV-SNVBAGLBSA-N 1 0 310.310 0.795 20 5 DCBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3ccc([N+](=O)[O-])n3)C2)C1 ZINC000293926996 131783790 /nfs/dbraw/zinc/78/37/90/131783790.db2.gz IXNUNDMPNXNSDW-CQSZACIVSA-N 1 0 307.354 0.736 20 5 DCBDRO CN(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026595104 395694401 /nfs/dbraw/zinc/69/44/01/395694401.db2.gz PYQYWLOYMIKBBB-UHFFFAOYSA-N 1 0 307.354 0.590 20 5 DCBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC2)N1 ZINC000270568832 395784204 /nfs/dbraw/zinc/78/42/04/395784204.db2.gz ZURLSAJJEIWTIG-UHFFFAOYSA-N 1 0 322.296 0.908 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108298501 395788102 /nfs/dbraw/zinc/78/81/02/395788102.db2.gz XPGYNBVZNYROIC-LBPRGKRZSA-N 1 0 307.354 0.700 20 5 DCBDRO O=C([C@@H]1C[NH2+]CCO1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000194352968 395795130 /nfs/dbraw/zinc/79/51/30/395795130.db2.gz UKBYMDQFHHVBPZ-AWEZNQCLSA-N 1 0 320.349 0.232 20 5 DCBDRO COc1ccc(S(=O)(=O)NCC[NH2+]C2CC2)c([N+](=O)[O-])c1 ZINC000054266971 395896731 /nfs/dbraw/zinc/89/67/31/395896731.db2.gz ULJUEXLBBCCSEV-UHFFFAOYSA-N 1 0 315.351 0.634 20 5 DCBDRO C[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000237397072 395911924 /nfs/dbraw/zinc/91/19/24/395911924.db2.gz YCRRIYDEMJRQJY-QMMMGPOBSA-N 1 0 312.351 0.288 20 5 DCBDRO O=C(C[NH2+]C1CC1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000238159330 395922635 /nfs/dbraw/zinc/92/26/35/395922635.db2.gz XPIBHLOUURRWBR-NSHDSACASA-N 1 0 305.338 0.755 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCOC2)cc1 ZINC000273504769 395926294 /nfs/dbraw/zinc/92/62/94/395926294.db2.gz ZHGBTJCFRXKKKY-SNVBAGLBSA-N 1 0 300.336 0.747 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC([NH+](C)C)C1 ZINC000135638698 395942224 /nfs/dbraw/zinc/94/22/24/395942224.db2.gz GNXCRIKMXVUZRE-SNVBAGLBSA-N 1 0 320.349 0.486 20 5 DCBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000274552930 395958045 /nfs/dbraw/zinc/95/80/45/395958045.db2.gz XZKWYHBQJKZOJA-GFCCVEGCSA-N 1 0 322.365 0.746 20 5 DCBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C[C@@H]1C ZINC000248969239 396001024 /nfs/dbraw/zinc/00/10/24/396001024.db2.gz CGNPGLNJSXIPLR-WCQYABFASA-N 1 0 323.349 0.888 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261648918 396052285 /nfs/dbraw/zinc/05/22/85/396052285.db2.gz FLVABOQMOGDELH-HNNXBMFYSA-N 1 0 318.377 0.643 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261704084 396057851 /nfs/dbraw/zinc/05/78/51/396057851.db2.gz FSXDQCURNFIWAP-TXEJJXNPSA-N 1 0 320.349 0.215 20 5 DCBDRO [NH3+]C[C@H]1CCCN1S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000261714990 396059572 /nfs/dbraw/zinc/05/95/72/396059572.db2.gz JTZHUNGAGNKPPK-MRVPVSSYSA-N 1 0 303.315 0.846 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc([N+](=O)[O-])c1 ZINC000261788627 396066569 /nfs/dbraw/zinc/06/65/69/396066569.db2.gz NJXWNZLXMALORA-NEPJUHHUSA-N 1 0 323.305 0.826 20 5 DCBDRO COc1cc(C(=O)NC[C@@](C)(O)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000152915771 396017850 /nfs/dbraw/zinc/01/78/50/396017850.db2.gz GLAQNTKLRZKXST-CQSZACIVSA-N 1 0 311.338 0.646 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[NH2+]C1 ZINC000262043223 396093311 /nfs/dbraw/zinc/09/33/11/396093311.db2.gz SOURJUPBZWMSEN-LBPRGKRZSA-N 1 0 320.349 0.583 20 5 DCBDRO CNc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000073082664 396141830 /nfs/dbraw/zinc/14/18/30/396141830.db2.gz PRWGHFIDSBFDPE-UHFFFAOYSA-N 1 0 321.381 0.614 20 5 DCBDRO COc1ccc(NC(=O)CN2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000261936105 396080942 /nfs/dbraw/zinc/08/09/42/396080942.db2.gz KJAZDNXKAUFIKO-UHFFFAOYSA-N 1 0 308.338 0.837 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000262483077 396145507 /nfs/dbraw/zinc/14/55/07/396145507.db2.gz KBLNTQIEHUAPMK-OAHLLOKOSA-N 1 0 304.350 0.879 20 5 DCBDRO CC[NH+](CC)[C@H]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000076058833 396194543 /nfs/dbraw/zinc/19/45/43/396194543.db2.gz HYWRSDRPRPTDOL-JSGCOSHPSA-N 1 0 311.386 0.568 20 5 DCBDRO CC[C@](C)([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(N)=O ZINC000182198693 396247979 /nfs/dbraw/zinc/24/79/79/396247979.db2.gz XAVZUNDVDONNGK-HZMBPMFUSA-N 1 0 311.338 0.578 20 5 DCBDRO C[NH+]1CCC(O)(CNC(=O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000080891386 396288194 /nfs/dbraw/zinc/28/81/94/396288194.db2.gz ROIAFUOFCGSSBB-UHFFFAOYSA-N 1 0 323.349 0.547 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000264565836 396291773 /nfs/dbraw/zinc/29/17/73/396291773.db2.gz RMRZEDPSIVDNTO-VIFPVBQESA-N 1 0 310.310 0.257 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000264677701 396302465 /nfs/dbraw/zinc/30/24/65/396302465.db2.gz NIRWAVALSCGMSS-LBPRGKRZSA-N 1 0 321.333 0.854 20 5 DCBDRO Cc1nn(CCC(=O)NCC2=CC[NH2+]CC2)c(C)c1[N+](=O)[O-] ZINC000186348362 396348964 /nfs/dbraw/zinc/34/89/64/396348964.db2.gz SPOOGUFANYXERL-UHFFFAOYSA-N 1 0 307.354 0.834 20 5 DCBDRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000188777268 396385582 /nfs/dbraw/zinc/38/55/82/396385582.db2.gz BDCKSGLDGJEABG-JBLDHEPKSA-N 1 0 323.328 0.703 20 5 DCBDRO CNS(=O)(=O)c1ccc(N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000286315305 396387104 /nfs/dbraw/zinc/38/71/04/396387104.db2.gz GWOLVXNYVDJHFS-VIFPVBQESA-N 1 0 316.383 0.865 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H](C)CCC[NH3+])c([N+](=O)[O-])n1 ZINC000580713648 396494702 /nfs/dbraw/zinc/49/47/02/396494702.db2.gz BTXDAXUOZZOUIG-MRVPVSSYSA-N 1 0 305.360 0.217 20 5 DCBDRO CC(CO)(CO)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000580774673 396499348 /nfs/dbraw/zinc/49/93/48/396499348.db2.gz ZDBRBJJDLUQRAJ-UHFFFAOYSA-N 1 0 311.338 0.504 20 5 DCBDRO [NH3+][C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000193230446 396446715 /nfs/dbraw/zinc/44/67/15/396446715.db2.gz OGVAQDFBHSCDEA-SECBINFHSA-N 1 0 322.346 0.865 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000580710308 396494247 /nfs/dbraw/zinc/49/42/47/396494247.db2.gz ZGIQMTHERPTVTH-RQJABVFESA-N 1 0 310.354 0.699 20 5 DCBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(N)(=O)=O)C[NH+](C)C ZINC000292007318 396524692 /nfs/dbraw/zinc/52/46/92/396524692.db2.gz ZBYXMILOGIEXGJ-VIFPVBQESA-N 1 0 316.383 0.852 20 5 DCBDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000581126361 396527915 /nfs/dbraw/zinc/52/79/15/396527915.db2.gz GUDQBSFVTAMDOI-YUTCNCBUSA-N 1 0 312.370 0.945 20 5 DCBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000595119137 396551869 /nfs/dbraw/zinc/55/18/69/396551869.db2.gz NKPRIVGURWQFQQ-SNVBAGLBSA-N 1 0 301.368 0.665 20 5 DCBDRO C[NH2+]C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000595121019 396552849 /nfs/dbraw/zinc/55/28/49/396552849.db2.gz FBAIJJHVLPHSGE-QMMMGPOBSA-N 1 0 303.340 0.490 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595243065 396569147 /nfs/dbraw/zinc/56/91/47/396569147.db2.gz ABOBHLQYBSEYJR-QMMMGPOBSA-N 1 0 310.310 0.266 20 5 DCBDRO C[NH2+]C[C@@H](C)NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000595276423 396577295 /nfs/dbraw/zinc/57/72/95/396577295.db2.gz ZDXUOUNTAFDSGD-LLVKDONJSA-N 1 0 322.369 0.429 20 5 DCBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595680378 396648146 /nfs/dbraw/zinc/64/81/46/396648146.db2.gz ZYZSQCBDQZEWIU-XBFCOCLRSA-N 1 0 312.370 0.635 20 5 DCBDRO O=CN1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000294087088 396652493 /nfs/dbraw/zinc/65/24/93/396652493.db2.gz ATQJNMMDHKWGOH-CYBMUJFWSA-N 1 0 323.349 0.499 20 5 DCBDRO CCNC(=O)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C(C)C ZINC000293154201 396589960 /nfs/dbraw/zinc/58/99/60/396589960.db2.gz DZPOHBPXGAVLHX-ZDUSSCGKSA-N 1 0 310.354 0.507 20 5 DCBDRO CCc1nocc1C[N@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000293456293 396610508 /nfs/dbraw/zinc/61/05/08/396610508.db2.gz PVCKCBOUROWKEQ-LBPRGKRZSA-N 1 0 309.326 0.835 20 5 DCBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)C2)C1 ZINC000293935076 396642302 /nfs/dbraw/zinc/64/23/02/396642302.db2.gz QTCYDALSWRXKCA-AWEZNQCLSA-N 1 0 307.354 0.736 20 5 DCBDRO COc1ccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000595932440 396685630 /nfs/dbraw/zinc/68/56/30/396685630.db2.gz PGYBTKDXLXOZCR-MFKMUULPSA-N 1 0 309.322 0.583 20 5 DCBDRO CN(CC(C)(C)[NH3+])C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000595945843 396689770 /nfs/dbraw/zinc/68/97/70/396689770.db2.gz PEQMCOHBQWJETA-UHFFFAOYSA-N 1 0 318.337 0.985 20 5 DCBDRO O=C(Cc1cccc([N+](=O)[O-])c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588862533 396695574 /nfs/dbraw/zinc/69/55/74/396695574.db2.gz DGFCYAILJCNCAJ-LSDHHAIUSA-N 1 0 319.361 0.805 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@@H](CO)C[NH+]1CCCC1 ZINC000588869326 396696826 /nfs/dbraw/zinc/69/68/26/396696826.db2.gz MQKCHGDMXMAZPU-GFCCVEGCSA-N 1 0 323.349 0.547 20 5 DCBDRO COCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)CC1 ZINC000299249839 396712868 /nfs/dbraw/zinc/71/28/68/396712868.db2.gz OPAXUHUWPUIXPI-UHFFFAOYSA-N 1 0 324.337 0.536 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000314582494 396782763 /nfs/dbraw/zinc/78/27/63/396782763.db2.gz PRIWIZGTSWJWFI-BXUZGUMPSA-N 1 0 309.370 0.226 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000590548417 396793823 /nfs/dbraw/zinc/79/38/23/396793823.db2.gz CYQVRIQCQPHKAJ-SNVBAGLBSA-N 1 0 311.338 0.646 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000317647961 396805444 /nfs/dbraw/zinc/80/54/44/396805444.db2.gz RLCMIVUNRFTEGU-QWRGUYRKSA-N 1 0 307.354 0.622 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000376113618 396877346 /nfs/dbraw/zinc/87/73/46/396877346.db2.gz LMVCEDBFLHUCIF-NWDGAFQWSA-N 1 0 307.354 0.700 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591304631 396898637 /nfs/dbraw/zinc/89/86/37/396898637.db2.gz LOVCJNKDTXCIMF-MFKMUULPSA-N 1 0 318.333 0.744 20 5 DCBDRO COC(=O)c1cnc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591438529 396921236 /nfs/dbraw/zinc/92/12/36/396921236.db2.gz MTBREQSBKZUMAA-GXSJLCMTSA-N 1 0 306.322 0.965 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591448868 396922631 /nfs/dbraw/zinc/92/26/31/396922631.db2.gz OVXFKXLIFPQBOG-GXFFZTMASA-N 1 0 304.350 0.878 20 5 DCBDRO O=C(CCNc1ccccc1[N+](=O)[O-])NCC[N@H+]1CC[C@H](O)C1 ZINC000600806817 396946336 /nfs/dbraw/zinc/94/63/36/396946336.db2.gz HDMPUWQWHDJPBD-LBPRGKRZSA-N 1 0 322.365 0.580 20 5 DCBDRO CC1CCN(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000591728112 396991983 /nfs/dbraw/zinc/99/19/83/396991983.db2.gz YIKAFQGKJLRUIK-CQSZACIVSA-N 1 0 311.386 0.474 20 5 DCBDRO C[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)Cn1cccn1 ZINC000591728093 396992361 /nfs/dbraw/zinc/99/23/61/396992361.db2.gz SHTCZZLQQBHTRM-AAEUAGOBSA-N 1 0 308.342 0.275 20 5 DCBDRO Cc1csc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000591724796 396992930 /nfs/dbraw/zinc/99/29/30/396992930.db2.gz FBFFLRZKNBEURW-LLVKDONJSA-N 1 0 311.367 0.749 20 5 DCBDRO O=[N+]([O-])c1ccc(Cn2cc(CCN3CC[NH2+]CC3)nn2)cc1 ZINC000600970603 396976134 /nfs/dbraw/zinc/97/61/34/396976134.db2.gz KOEWPMPVLUEEJF-UHFFFAOYSA-N 1 0 316.365 0.682 20 5 DCBDRO COc1ccccc1[C@@H]([NH3+])CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000591680743 396977080 /nfs/dbraw/zinc/97/70/80/396977080.db2.gz DAQFUJABCJLJKG-LBPRGKRZSA-N 1 0 319.321 0.616 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377513301 397090748 /nfs/dbraw/zinc/09/07/48/397090748.db2.gz SQIKYGKILWRKIV-AAEUAGOBSA-N 1 0 323.353 0.161 20 5 DCBDRO C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461760 397060366 /nfs/dbraw/zinc/06/03/66/397060366.db2.gz ODOLPABVMALZSY-NHYWBVRUSA-N 1 0 307.350 0.881 20 5 DCBDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592206547 397130341 /nfs/dbraw/zinc/13/03/41/397130341.db2.gz ZOWIGGAUTXVFEJ-YPMHNXCESA-N 1 0 324.333 0.829 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCO1 ZINC000592308513 397149218 /nfs/dbraw/zinc/14/92/18/397149218.db2.gz NMBBFDOYJKANKE-PRHODGIISA-N 1 0 319.321 0.659 20 5 DCBDRO Cc1nn(C)c(C(=O)NCC23CCC[NH+]2CCC3)c1[N+](=O)[O-] ZINC000619573882 397150624 /nfs/dbraw/zinc/15/06/24/397150624.db2.gz AKCPIDHBFDFESV-UHFFFAOYSA-N 1 0 307.354 0.995 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000592338217 397155510 /nfs/dbraw/zinc/15/55/10/397155510.db2.gz SMGCTJFEXUXYHD-LBPRGKRZSA-N 1 0 315.333 0.945 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000592366773 397160525 /nfs/dbraw/zinc/16/05/25/397160525.db2.gz IYIUNIMAXCCRND-SECBINFHSA-N 1 0 315.351 0.573 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000592368409 397162099 /nfs/dbraw/zinc/16/20/99/397162099.db2.gz FXZRJQTXMLQWMC-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO Cc1cc(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000572900634 397110942 /nfs/dbraw/zinc/11/09/42/397110942.db2.gz MCCLJHFQGHGNMG-NEPJUHHUSA-N 1 0 318.333 0.287 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000592475111 397185779 /nfs/dbraw/zinc/18/57/79/397185779.db2.gz ORWSBYXJINRCOQ-WCQYABFASA-N 1 0 322.365 0.890 20 5 DCBDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3c[nH]nc3[N+](=O)[O-])CC2)C1 ZINC000619787784 397192833 /nfs/dbraw/zinc/19/28/33/397192833.db2.gz UGUCFLQBOAIUOM-NSHDSACASA-N 1 0 322.369 0.170 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000592547219 397207969 /nfs/dbraw/zinc/20/79/69/397207969.db2.gz UAATXJNKEYGWAP-DTWKUNHWSA-N 1 0 310.310 0.256 20 5 DCBDRO CC(C)(C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)n1cc([N+](=O)[O-])cn1 ZINC000598669351 397272056 /nfs/dbraw/zinc/27/20/56/397272056.db2.gz IBIMFGHSYPGBGT-IINYFYTJSA-N 1 0 307.354 0.866 20 5 DCBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C2 ZINC000598668573 397272083 /nfs/dbraw/zinc/27/20/83/397272083.db2.gz ADGFSBQUAOCNJA-HZMBPMFUSA-N 1 0 306.322 0.096 20 5 DCBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598913218 397306691 /nfs/dbraw/zinc/30/66/91/397306691.db2.gz FLZVTYBWQXHHST-KOLCDFICSA-N 1 0 306.322 0.777 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598914471 397307792 /nfs/dbraw/zinc/30/77/92/397307792.db2.gz FOVXDYWXNFPGFA-NXEZZACHSA-N 1 0 306.322 0.729 20 5 DCBDRO O=c1c2c(ncn1Cc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000574319365 397257086 /nfs/dbraw/zinc/25/70/86/397257086.db2.gz JPZRYHYHUBTAOZ-UHFFFAOYSA-N 1 0 300.318 0.888 20 5 DCBDRO COC(=O)c1ccnc(NCC[N@@H+]2CC[C@H](O)C2)c1[N+](=O)[O-] ZINC000599198908 397361232 /nfs/dbraw/zinc/36/12/32/397361232.db2.gz ANASYDHNKCGUQG-VIFPVBQESA-N 1 0 310.310 0.255 20 5 DCBDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000602526231 397430891 /nfs/dbraw/zinc/43/08/91/397430891.db2.gz FJMMDGNFZLZVBE-GFCCVEGCSA-N 1 0 308.338 0.213 20 5 DCBDRO O=C(c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)N1CC[NH2+]CC1 ZINC000602421897 397396597 /nfs/dbraw/zinc/39/65/97/397396597.db2.gz PSCKEQOBKFTALD-UHFFFAOYSA-N 1 0 319.296 0.965 20 5 DCBDRO [NH3+]C[C@H](NS(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000578192216 397402885 /nfs/dbraw/zinc/40/28/85/397402885.db2.gz HLVKSHLLBZVDOY-JTQLQIEISA-N 1 0 314.367 0.786 20 5 DCBDRO CC[NH+]1CCN([C@@H]2CCN(Cc3cn(C)nc3[N+](=O)[O-])C2)CC1 ZINC000602464914 397409599 /nfs/dbraw/zinc/40/95/99/397409599.db2.gz OCBUMVRYNLSQLM-CQSZACIVSA-N 1 0 322.413 0.540 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000599644902 397493180 /nfs/dbraw/zinc/49/31/80/397493180.db2.gz AOWIUISQWHIEDX-CYBMUJFWSA-N 1 0 318.333 0.916 20 5 DCBDRO CN(CCOCC[NH3+])C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000599919291 397541066 /nfs/dbraw/zinc/54/10/66/397541066.db2.gz ORBHFZMZPDRGMG-UHFFFAOYSA-N 1 0 310.354 0.754 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cc([N+](=O)[O-])c[nH]3)CC2)C1 ZINC000609665104 397788361 /nfs/dbraw/zinc/78/83/61/397788361.db2.gz YCAZPNQFIAKEPL-GFCCVEGCSA-N 1 0 321.381 0.775 20 5 DCBDRO [NH3+]C1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000122319008 158220226 /nfs/dbraw/zinc/22/02/26/158220226.db2.gz ZUYLCZHWUMLISV-UHFFFAOYSA-N 1 0 303.315 0.846 20 5 DCBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000126324685 158264530 /nfs/dbraw/zinc/26/45/30/158264530.db2.gz GJPFXPKSWLUHEZ-LBPRGKRZSA-N 1 0 324.385 0.957 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127087883 158269889 /nfs/dbraw/zinc/26/98/89/158269889.db2.gz CPFRHDFNNQLFNI-JTQLQIEISA-N 1 0 301.306 0.872 20 5 DCBDRO CNS(=O)(=O)c1ccc(NC[C@H]([NH3+])C2CC2)c([N+](=O)[O-])c1 ZINC000133169981 158317000 /nfs/dbraw/zinc/31/70/00/158317000.db2.gz CMMTVZBJERXWEQ-JTQLQIEISA-N 1 0 314.367 0.652 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000133219155 158317229 /nfs/dbraw/zinc/31/72/29/158317229.db2.gz QAJMJCJHSBHNCX-SECBINFHSA-N 1 0 317.367 0.737 20 5 DCBDRO O=C([C@@H]1CCC[NH2+]1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000166032000 158365695 /nfs/dbraw/zinc/36/56/95/158365695.db2.gz JNXRYWQFJFPVFE-JQWIXIFHSA-N 1 0 305.338 0.755 20 5 DCBDRO NC(=O)c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654740 159010566 /nfs/dbraw/zinc/01/05/66/159010566.db2.gz QDNRZFJAOSIGFM-VXGBXAGGSA-N 1 0 320.349 0.969 20 5 DCBDRO NC(=O)c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c([N+](=O)[O-])c1 ZINC000321654739 159010688 /nfs/dbraw/zinc/01/06/88/159010688.db2.gz QDNRZFJAOSIGFM-RYUDHWBXSA-N 1 0 320.349 0.969 20 5 DCBDRO COCC[N@H+](C)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000355542906 287183816 /nfs/dbraw/zinc/18/38/16/287183816.db2.gz GGRXWGPQNKDTIR-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO CC[NH2+]CCNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420422339 287297499 /nfs/dbraw/zinc/29/74/99/287297499.db2.gz PUCBIQJJJGVDPF-UHFFFAOYSA-N 1 0 301.368 0.666 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)NC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000422847129 287300784 /nfs/dbraw/zinc/30/07/84/287300784.db2.gz HKHZATHYRRHHDQ-LBPRGKRZSA-N 1 0 322.365 0.733 20 5 DCBDRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000052783377 415317332 /nfs/dbraw/zinc/31/73/32/415317332.db2.gz AQULDHMUHQUMOG-MRVPVSSYSA-N 1 0 300.340 0.040 20 5 DCBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1COC[C@@H]1O ZINC000352808449 415336017 /nfs/dbraw/zinc/33/60/17/415336017.db2.gz YKADUNYRCRJETJ-UBHSHLNASA-N 1 0 312.322 0.026 20 5 DCBDRO CC[N@H+](C)CCNC(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000066959320 415367646 /nfs/dbraw/zinc/36/76/46/415367646.db2.gz HBVKHPARVBITMW-LLVKDONJSA-N 1 0 322.365 0.781 20 5 DCBDRO NC(=O)CC[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090525188 415531691 /nfs/dbraw/zinc/53/16/91/415531691.db2.gz DQBZSCIHHYDLIP-GFCCVEGCSA-N 1 0 322.365 0.734 20 5 DCBDRO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000118122924 415733704 /nfs/dbraw/zinc/73/37/04/415733704.db2.gz UFZQLNGNSCRGFK-UHFFFAOYSA-N 1 0 308.338 0.990 20 5 DCBDRO CC1CC[NH+](C[C@H](O)CNC(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000354057609 415738366 /nfs/dbraw/zinc/73/83/66/415738366.db2.gz XEKNISOWHOVJPM-SNVBAGLBSA-N 1 0 311.342 0.141 20 5 DCBDRO CCCN(CC[NH+](C)C)C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000344141657 415849518 /nfs/dbraw/zinc/84/95/18/415849518.db2.gz JUMMHGIEDNRART-UHFFFAOYSA-N 1 0 310.354 0.557 20 5 DCBDRO C[NH+](C)CCN(Cc1ccco1)C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000121191606 415795752 /nfs/dbraw/zinc/79/57/52/415795752.db2.gz MWKXMKUTAORMFZ-UHFFFAOYSA-N 1 0 321.337 0.975 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC[NH+](C)C ZINC000121568963 415809095 /nfs/dbraw/zinc/80/90/95/415809095.db2.gz MPXOALPZWQNZAD-UHFFFAOYSA-N 1 0 303.340 0.443 20 5 DCBDRO O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000344431319 415913788 /nfs/dbraw/zinc/91/37/88/415913788.db2.gz BHGOQNPSYGGDID-SMDDNHRTSA-N 1 0 322.365 0.483 20 5 DCBDRO Cn1nc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000356727043 415978285 /nfs/dbraw/zinc/97/82/85/415978285.db2.gz BXPJPMWQVSZKMX-QWRGUYRKSA-N 1 0 307.354 0.885 20 5 DCBDRO CO[C@H]1C[C@@H](CN(C)C(=O)c2cc([N+](=O)[O-])nn2C)[N@H+](C)C1 ZINC000344510021 415933232 /nfs/dbraw/zinc/93/32/32/415933232.db2.gz KNIXUPFPQWYYMX-UWVGGRQHSA-N 1 0 311.342 0.119 20 5 DCBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000173596565 416061809 /nfs/dbraw/zinc/06/18/09/416061809.db2.gz FCSAJBSAUDAXGF-GFCCVEGCSA-N 1 0 309.370 0.982 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161591104 416014073 /nfs/dbraw/zinc/01/40/73/416014073.db2.gz VIUVYQZEOYGIAO-GFCCVEGCSA-N 1 0 322.369 0.671 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](C)[NH+](C)C ZINC000298610745 416016687 /nfs/dbraw/zinc/01/66/87/416016687.db2.gz VEBLBFHYEIDIBM-SECBINFHSA-N 1 0 324.337 0.608 20 5 DCBDRO CNC(=O)CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000170784111 416031486 /nfs/dbraw/zinc/03/14/86/416031486.db2.gz DPPGYDZEOAWDHV-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO [NH3+]C[C@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000358123855 416197012 /nfs/dbraw/zinc/19/70/12/416197012.db2.gz JUWLPZBWEIDQCZ-KBPBESRZSA-N 1 0 320.349 0.360 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000347530500 416220525 /nfs/dbraw/zinc/22/05/25/416220525.db2.gz VJOVIHXHLHVQOD-UHFFFAOYSA-N 1 0 313.277 1.161 20 5 DCBDRO C[NH+](C)[C@]1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCSC1 ZINC000347869850 416225508 /nfs/dbraw/zinc/22/55/08/416225508.db2.gz SBJYHVYVRQXFMV-ZDUSSCGKSA-N 1 0 322.394 1.487 20 5 DCBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000330682984 416229740 /nfs/dbraw/zinc/22/97/40/416229740.db2.gz QPSDAECADPIJNC-NSHDSACASA-N 1 0 310.358 0.423 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359306000 416319994 /nfs/dbraw/zinc/31/99/94/416319994.db2.gz MRUUTUJDKOUMLJ-TXEJJXNPSA-N 1 0 304.350 0.993 20 5 DCBDRO Cc1cc(NC(=O)NCCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000415422498 416343082 /nfs/dbraw/zinc/34/30/82/416343082.db2.gz WSYCMNDXWJXBOI-UHFFFAOYSA-N 1 0 307.354 0.930 20 5 DCBDRO Cc1c(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000415447168 416343432 /nfs/dbraw/zinc/34/34/32/416343432.db2.gz WZVJSENBWQDUGE-VIFPVBQESA-N 1 0 306.322 0.662 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415812312 416354704 /nfs/dbraw/zinc/35/47/04/416354704.db2.gz COABOBCYNSLJDF-MFKMUULPSA-N 1 0 318.333 0.662 20 5 DCBDRO O=C([C@@H]1C[NH2+]CCO1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000237956154 416329164 /nfs/dbraw/zinc/32/91/64/416329164.db2.gz JVYSHVKMSLBOHQ-AWEZNQCLSA-N 1 0 320.349 0.232 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423098096 416464848 /nfs/dbraw/zinc/46/48/48/416464848.db2.gz KDVHROAJHXPOHV-LBPRGKRZSA-N 1 0 320.349 0.503 20 5 DCBDRO CC[C@H]([NH3+])CNS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420451753 416418848 /nfs/dbraw/zinc/41/88/48/416418848.db2.gz ZQWZZXNZULSVHO-NSHDSACASA-N 1 0 301.368 0.794 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361079751 416420601 /nfs/dbraw/zinc/42/06/01/416420601.db2.gz MAMCSIBLLTUJDB-OLZOCXBDSA-N 1 0 307.354 0.686 20 5 DCBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000423676895 416537951 /nfs/dbraw/zinc/53/79/51/416537951.db2.gz RKHCDDDNAODCCC-NWDGAFQWSA-N 1 0 307.350 0.830 20 5 DCBDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000423684710 416541196 /nfs/dbraw/zinc/54/11/96/416541196.db2.gz RUXOOKGKJCWQBF-QWRGUYRKSA-N 1 0 322.365 0.897 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N(C)C2CC([NH3+])C2)ccc1[N+](=O)[O-] ZINC000423704403 416544428 /nfs/dbraw/zinc/54/44/28/416544428.db2.gz JBVKERLECWJHTI-UHFFFAOYSA-N 1 0 320.349 0.581 20 5 DCBDRO C[NH+](C)CC[C@@H](N)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000593906546 416549064 /nfs/dbraw/zinc/54/90/64/416549064.db2.gz IYFYFYLUTJGHSY-SNVBAGLBSA-N 1 0 306.326 0.689 20 5 DCBDRO Cc1cc(C(=O)NCC(=O)N[C@@H](C)CC[NH3+])ccc1[N+](=O)[O-] ZINC000423492910 416517291 /nfs/dbraw/zinc/51/72/91/416517291.db2.gz AGUWGSUJXTTZER-JTQLQIEISA-N 1 0 308.338 0.487 20 5 DCBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1C[NH2+]CCO1 ZINC000423993741 416603077 /nfs/dbraw/zinc/60/30/77/416603077.db2.gz RCNNDCQZFVTYOJ-LLVKDONJSA-N 1 0 311.363 0.792 20 5 DCBDRO Nc1nc(NC[C@H]2CCC[N@H+](CC3CC3)C2)ncc1[N+](=O)[O-] ZINC000596570417 416584831 /nfs/dbraw/zinc/58/48/31/416584831.db2.gz KPCXFGUISRLXDL-LLVKDONJSA-N 1 0 306.370 0.923 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000441615886 416676475 /nfs/dbraw/zinc/67/64/75/416676475.db2.gz SJMUXGWSORLULL-VHSXEESVSA-N 1 0 324.337 0.503 20 5 DCBDRO Nc1nccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000548738469 416690960 /nfs/dbraw/zinc/69/09/60/416690960.db2.gz SMKQUFZFPHKLIS-MNOVXSKESA-N 1 0 305.338 0.929 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccnc(N)c3[N+](=O)[O-])CC[C@@H]21 ZINC000548714577 416692069 /nfs/dbraw/zinc/69/20/69/416692069.db2.gz XXDSEARAUUIWQS-PWSUYJOCSA-N 1 0 319.365 1.128 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429052304 287333309 /nfs/dbraw/zinc/33/33/09/287333309.db2.gz KMOXYLYWAWMHHJ-ZJUUUORDSA-N 1 0 324.337 0.646 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000519745618 416932935 /nfs/dbraw/zinc/93/29/35/416932935.db2.gz RHIKPBFEPCRBIV-NSHDSACASA-N 1 0 310.354 0.510 20 5 DCBDRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)C1 ZINC000521415602 417009853 /nfs/dbraw/zinc/00/98/53/417009853.db2.gz QHCLFKCETABHDZ-LLVKDONJSA-N 1 0 307.354 0.907 20 5 DCBDRO O=C(C[NH2+][C@@H](CO)[C@H]1CCCO1)Nc1ccccc1[N+](=O)[O-] ZINC000447903646 417040278 /nfs/dbraw/zinc/04/02/78/417040278.db2.gz NRPPFMRYFRDGDM-WCQYABFASA-N 1 0 309.322 0.663 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H]([NH3+])C1 ZINC000430638910 417052740 /nfs/dbraw/zinc/05/27/40/417052740.db2.gz GOGASRKXRITGQZ-JTQLQIEISA-N 1 0 308.338 0.965 20 5 DCBDRO [NH3+]C[C@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430940859 417087633 /nfs/dbraw/zinc/08/76/33/417087633.db2.gz RVDCLWVKLFGAHD-SECBINFHSA-N 1 0 322.321 0.543 20 5 DCBDRO CCc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000449697725 417166166 /nfs/dbraw/zinc/16/61/66/417166166.db2.gz MLQCUFWBJRGIGY-CYBMUJFWSA-N 1 0 306.366 0.791 20 5 DCBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC000570410039 417353514 /nfs/dbraw/zinc/35/35/14/417353514.db2.gz DDHBEYCWBCCGQG-SNVBAGLBSA-N 1 0 307.354 1.128 20 5 DCBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CNCCO1 ZINC000415092223 417327277 /nfs/dbraw/zinc/32/72/77/417327277.db2.gz FQLJBQYWQAFTQI-RISCZKNCSA-N 1 0 322.365 0.890 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000415344221 417368531 /nfs/dbraw/zinc/36/85/31/417368531.db2.gz NBXAJXNMGMTIMD-SNVBAGLBSA-N 1 0 306.322 0.662 20 5 DCBDRO CNc1nccc(C(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000572187372 417456726 /nfs/dbraw/zinc/45/67/26/417456726.db2.gz PAKBGLHDGYPMNI-UHFFFAOYSA-N 1 0 319.365 1.388 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000576467314 417612208 /nfs/dbraw/zinc/61/22/08/417612208.db2.gz WQAXXCSQZORCSC-QWHCGFSZSA-N 1 0 312.395 0.980 20 5 DCBDRO CN(C)C(=O)O[C@@H]1CCN(CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000296618092 226054869 /nfs/dbraw/zinc/05/48/69/226054869.db2.gz GYVYHCNAUBHTIC-GFCCVEGCSA-N 1 0 324.337 0.529 20 5 DCBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000354556325 261236538 /nfs/dbraw/zinc/23/65/38/261236538.db2.gz UIAFTTDZKCGPAF-GFCCVEGCSA-N 1 0 324.385 0.965 20 5 DCBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000356736605 261462717 /nfs/dbraw/zinc/46/27/17/261462717.db2.gz FOCYUGMSNIQUTD-NSHDSACASA-N 1 0 310.354 0.601 20 5 DCBDRO COc1ccc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000358488754 261673319 /nfs/dbraw/zinc/67/33/19/261673319.db2.gz XJCWJAHTCRUMFD-CQSZACIVSA-N 1 0 324.337 0.792 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000394074006 262161656 /nfs/dbraw/zinc/16/16/56/262161656.db2.gz CQLDQBLZTUALJG-YBJDMEARSA-N 1 0 304.350 0.628 20 5 DCBDRO C[C@@H](O)C[N@H+](CCO)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411742577 262175816 /nfs/dbraw/zinc/17/58/16/262175816.db2.gz DXGNTFNJFNTTPI-LLVKDONJSA-N 1 0 311.338 0.599 20 5 DCBDRO COc1ccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000417179477 262247106 /nfs/dbraw/zinc/24/71/06/262247106.db2.gz FUNXRQOIWOKJMY-IWIIMEHWSA-N 1 0 306.322 0.620 20 5 DCBDRO C[C@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)C[C@H]1C[NH3+] ZINC000417905870 262264632 /nfs/dbraw/zinc/26/46/32/262264632.db2.gz DHRCNIXWOHRVHE-WDEREUQCSA-N 1 0 310.358 0.418 20 5 DCBDRO C[C@@H]1CCN(C(=O)NCCn2cc([N+](=O)[O-])cn2)[C@@H](C[NH3+])C1 ZINC000417913097 262265174 /nfs/dbraw/zinc/26/51/74/262265174.db2.gz PLAJKEOCBAYYEU-GHMZBOCLSA-N 1 0 310.358 0.560 20 5 DCBDRO C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1[N+](=O)[O-] ZINC000417989508 262267201 /nfs/dbraw/zinc/26/72/01/262267201.db2.gz SWHJNXGCOYLZPR-NEPJUHHUSA-N 1 0 321.381 0.859 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000418773385 262288805 /nfs/dbraw/zinc/28/88/05/262288805.db2.gz CFYKONJMGUPWNR-NXEZZACHSA-N 1 0 308.338 0.496 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000418777974 262289406 /nfs/dbraw/zinc/28/94/06/262289406.db2.gz IBIYPCNJPGQRLV-SNVBAGLBSA-N 1 0 306.322 0.204 20 5 DCBDRO [NH3+][C@H](CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000418920027 262298358 /nfs/dbraw/zinc/29/83/58/262298358.db2.gz GURMVZZFBPIQDJ-CYBMUJFWSA-N 1 0 320.349 0.107 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419158782 262314632 /nfs/dbraw/zinc/31/46/32/262314632.db2.gz YGENEMSMMAHIMZ-JFGNBEQYSA-N 1 0 320.349 0.578 20 5 DCBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCO[C@H](C[NH3+])C1 ZINC000420398481 262373289 /nfs/dbraw/zinc/37/32/89/262373289.db2.gz YVCPRPFDTQVHAB-VXGBXAGGSA-N 1 0 322.365 0.971 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)N(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000420467283 262374596 /nfs/dbraw/zinc/37/45/96/262374596.db2.gz CRXONGLSKHGTRH-UHFFFAOYSA-N 1 0 307.303 0.322 20 5 DCBDRO C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000423094219 262429161 /nfs/dbraw/zinc/42/91/61/262429161.db2.gz BDXGYWJYPXEFAJ-ZYHUDNBSSA-N 1 0 320.349 0.359 20 5 DCBDRO CN(CC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000424026126 262477775 /nfs/dbraw/zinc/47/77/75/262477775.db2.gz TXNKZGXZXZJULX-GFCCVEGCSA-N 1 0 322.365 0.607 20 5 DCBDRO CO[C@H]1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000359220103 271106171 /nfs/dbraw/zinc/10/61/71/271106171.db2.gz IJGHJJXWHWKNQJ-RYUDHWBXSA-N 1 0 322.365 0.971 20 5 DCBDRO CO[C@@](C)([C@@H](C)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000411947001 271233692 /nfs/dbraw/zinc/23/36/92/271233692.db2.gz LWJBPQQBQHTWGV-SWHYSGLUSA-N 1 0 312.370 0.945 20 5 DCBDRO [NH3+]CCNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419830187 271331032 /nfs/dbraw/zinc/33/10/32/271331032.db2.gz FRSZPPMKGWQEAS-UHFFFAOYSA-N 1 0 306.322 0.161 20 5 DCBDRO C[NH2+]CCNC(=O)C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000419903778 271341549 /nfs/dbraw/zinc/34/15/49/271341549.db2.gz WXOOLOBLZJEZPI-UHFFFAOYSA-N 1 0 320.349 0.421 20 5 DCBDRO CCC[NH2+]CCNC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000419908060 271342710 /nfs/dbraw/zinc/34/27/10/271342710.db2.gz HQIOLISDEJSUHG-UHFFFAOYSA-N 1 0 322.365 0.669 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000422718266 271380694 /nfs/dbraw/zinc/38/06/94/271380694.db2.gz WUTSAUYAXPODRT-GFCCVEGCSA-N 1 0 320.349 0.453 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000422834672 271388485 /nfs/dbraw/zinc/38/84/85/271388485.db2.gz XFKIVLQNXAKLKT-VIFPVBQESA-N 1 0 309.322 0.967 20 5 DCBDRO C[C@@H]1CC[C@H]([N@H+](CCO)C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000429761202 271458977 /nfs/dbraw/zinc/45/89/77/271458977.db2.gz DBLQDBIIRKTCRY-DYEKYZERSA-N 1 0 312.370 0.635 20 5 DCBDRO [NH3+][C@H]1C[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000440859953 271659093 /nfs/dbraw/zinc/65/90/93/271659093.db2.gz JMICQBJWKVNPKL-KYZUINATSA-N 1 0 322.346 0.911 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491797885 272104940 /nfs/dbraw/zinc/10/49/40/272104940.db2.gz QMRSDQNXKSCKPB-LQYUOIDQSA-N 1 0 318.377 0.970 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491799378 272105430 /nfs/dbraw/zinc/10/54/30/272105430.db2.gz UCXXSCOUYUYVFZ-GTBONMDNSA-N 1 0 318.377 0.970 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491799380 272105580 /nfs/dbraw/zinc/10/55/80/272105580.db2.gz UCXXSCOUYUYVFZ-KKTNHOPESA-N 1 0 318.377 0.970 20 5 DCBDRO C[NH+](C)C1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000525835792 272580497 /nfs/dbraw/zinc/58/04/97/272580497.db2.gz XGFUOSADDYZQGN-UHFFFAOYSA-N 1 0 314.367 0.752 20 5 DCBDRO COC(C)(C)C[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000519764293 287681294 /nfs/dbraw/zinc/68/12/94/287681294.db2.gz WEQSNRPITBFYJL-CMPLNLGQSA-N 1 0 300.359 0.945 20 5 DCBDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000273931192 277075937 /nfs/dbraw/zinc/07/59/37/277075937.db2.gz KQTOZJXJLDJRAR-LBPRGKRZSA-N 1 0 320.353 0.128 20 5 DCBDRO CC(C)(C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)n1cc([N+](=O)[O-])cn1 ZINC000158172082 278266972 /nfs/dbraw/zinc/26/69/72/278266972.db2.gz ZBUPDAOWAQZHJE-CQSZACIVSA-N 1 0 307.354 0.738 20 5 DCBDRO C[C@@H](CO)[N@@H+]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000343206614 278290175 /nfs/dbraw/zinc/29/01/75/278290175.db2.gz OEMZBYYOPYDWLG-NSHDSACASA-N 1 0 322.365 0.587 20 5 DCBDRO C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CC[N@@H+]1CC(C)(C)O ZINC000548059866 288107490 /nfs/dbraw/zinc/10/74/90/288107490.db2.gz MQJXXOIZBYUJDD-LLVKDONJSA-N 1 0 324.381 0.851 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000548410767 288140747 /nfs/dbraw/zinc/14/07/47/288140747.db2.gz VHGPJSTWFKEMCI-UHFFFAOYSA-N 1 0 310.358 0.075 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])c1 ZINC000261631362 295195613 /nfs/dbraw/zinc/19/56/13/295195613.db2.gz HPOFGJMPAJICAW-WPRPVWTQSA-N 1 0 315.351 0.714 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2Cc3ccccc3O2)c1 ZINC000390964162 336949955 /nfs/dbraw/zinc/94/99/55/336949955.db2.gz LXKRGCOHZQLPNU-KGLIPLIRSA-N 1 0 318.333 0.746 20 5 DCBDRO COc1cc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc([N+](=O)[O-])c1C ZINC000582785032 337161310 /nfs/dbraw/zinc/16/13/10/337161310.db2.gz ZUMSJILNGWGLGJ-GFCCVEGCSA-N 1 0 322.365 0.627 20 5 DCBDRO CC[NH2+]CCCNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000583134217 337243014 /nfs/dbraw/zinc/24/30/14/337243014.db2.gz YBACAULRWPUZJN-UHFFFAOYSA-N 1 0 322.365 0.635 20 5 DCBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000583323490 337315891 /nfs/dbraw/zinc/31/58/91/337315891.db2.gz SAJGEEBPSFDNFS-CYBMUJFWSA-N 1 0 322.365 0.651 20 5 DCBDRO [NH3+]Cc1ccc(CNC(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000576756974 341861811 /nfs/dbraw/zinc/86/18/11/341861811.db2.gz WHQVCVTVBBETTN-UHFFFAOYSA-N 1 0 303.322 0.957 20 5 DCBDRO CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000577608763 341922847 /nfs/dbraw/zinc/92/28/47/341922847.db2.gz BFGGWWOXDDXREE-SNVBAGLBSA-N 1 0 314.367 0.752 20 5 DCBDRO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000577999500 341966532 /nfs/dbraw/zinc/96/65/32/341966532.db2.gz NKGYCDFHVPYANT-GFCCVEGCSA-N 1 0 306.322 0.161 20 5 DCBDRO CC[NH+](CC)CCCCNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000112919621 520591259 /nfs/dbraw/zinc/59/12/59/520591259.db2.gz HCKOXJDGTPPHMS-UHFFFAOYSA-N 1 0 324.381 0.995 20 5 DCBDRO CN(CC[NH+](C)C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000164149521 521747943 /nfs/dbraw/zinc/74/79/43/521747943.db2.gz KCXKRPBXDPNIBV-UHFFFAOYSA-N 1 0 315.395 0.961 20 5 DCBDRO C[NH+](C)CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000159987721 521788700 /nfs/dbraw/zinc/78/87/00/521788700.db2.gz KPIMDOHJPWJQKD-UHFFFAOYSA-N 1 0 301.368 0.618 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000156102362 522986049 /nfs/dbraw/zinc/98/60/49/522986049.db2.gz CGNVYQUNMLQNTN-SNVBAGLBSA-N 1 0 315.351 0.715 20 5 DCBDRO C[NH+](C)C1CN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)C1 ZINC000158263455 524041427 /nfs/dbraw/zinc/04/14/27/524041427.db2.gz BJIJITYTTFPQQB-UHFFFAOYSA-N 1 0 316.321 0.562 20 5 DCBDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000188434977 524344654 /nfs/dbraw/zinc/34/46/54/524344654.db2.gz AZLCQHKLROIXLX-SNVBAGLBSA-N 1 0 323.353 0.061 20 5 DCBDRO CS(=O)(=O)c1cc(C(=O)N[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000127871400 525238879 /nfs/dbraw/zinc/23/88/79/525238879.db2.gz NGAOQGIKBDGJGC-SECBINFHSA-N 1 0 313.335 0.090 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[NH3+] ZINC000237550791 525345175 /nfs/dbraw/zinc/34/51/75/525345175.db2.gz CNHWZZJTOLHKGN-SECBINFHSA-N 1 0 308.338 0.567 20 5 DCBDRO Cc1ccc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)cc1[N+](=O)[O-] ZINC000157389942 525577590 /nfs/dbraw/zinc/57/75/90/525577590.db2.gz ZWOQDWYGNBFTFY-SNVBAGLBSA-N 1 0 315.351 0.170 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000127369718 527053493 /nfs/dbraw/zinc/05/34/93/527053493.db2.gz BPQAKNXDHIOXCH-VIFPVBQESA-N 1 0 302.294 0.267 20 5 DCBDRO Nc1nc(N2CC[NH+](C[C@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000267357726 527556440 /nfs/dbraw/zinc/55/64/40/527556440.db2.gz HOIPONFKFUBIJY-SNVBAGLBSA-N 1 0 308.342 0.126 20 5 DCBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C[C@@H]1[NH+](C)C ZINC000820778067 606803977 /nfs/dbraw/zinc/80/39/77/606803977.db2.gz UZKAZMJMXDZCBR-KWQFWETISA-N 1 0 318.341 0.556 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC[N@H+](CC2CCOCC2)CC1 ZINC000981138160 661084581 /nfs/dbraw/zinc/08/45/81/661084581.db2.gz NNTNVTYDLGOQCJ-ZIAGYGMSSA-N 1 0 311.382 0.613 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cnco2)C1 ZINC001020447236 657665076 /nfs/dbraw/zinc/66/50/76/657665076.db2.gz OLRQJGOCMJSCSQ-KYZUINATSA-N 1 0 320.309 0.367 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001022064156 658820752 /nfs/dbraw/zinc/82/07/52/658820752.db2.gz YRSKZPMRUPMQEN-LMLFDSFASA-N 1 0 303.309 0.934 20 5 DCBDRO C[NH+](C)C[C@H](O)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000725788122 658892537 /nfs/dbraw/zinc/89/25/37/658892537.db2.gz LHNHVFXILNXKFB-SNVBAGLBSA-N 1 0 308.338 0.814 20 5 DCBDRO O=C(N[C@H]1C[C@H]([NH2+]CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001020140106 659671713 /nfs/dbraw/zinc/67/17/13/659671713.db2.gz YRSKZPMRUPMQEN-GWOFURMSSA-N 1 0 303.309 0.934 20 5 DCBDRO CN(CC[N@H+](C)CCO)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000894590375 661985245 /nfs/dbraw/zinc/98/52/45/661985245.db2.gz GAHFORYEQJFTKO-UHFFFAOYSA-N 1 0 311.367 0.960 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c1 ZINC000905570945 663565086 /nfs/dbraw/zinc/56/50/86/663565086.db2.gz HKDSJIMLSAJMLJ-FXBDTBDDSA-N 1 0 308.260 0.940 20 5 DCBDRO CN(C(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)[C@@H]1CC[NH2+]C1 ZINC000911788126 664109645 /nfs/dbraw/zinc/10/96/45/664109645.db2.gz OQGRLURKKKESEI-QMTHXVAHSA-N 1 0 318.333 0.908 20 5 DCBDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@@]2(C)C1 ZINC000913288844 664298583 /nfs/dbraw/zinc/29/85/83/664298583.db2.gz HEVNSTZBVGNKTB-GASCZTMLSA-N 1 0 321.381 0.982 20 5 DCBDRO O=C(CNC(=O)c1ccc([N+](=O)[O-])o1)NCC[NH+]1CCCCC1 ZINC000915648585 664934672 /nfs/dbraw/zinc/93/46/72/664934672.db2.gz BGJGFXDISVOIDX-UHFFFAOYSA-N 1 0 324.337 0.520 20 5 DCBDRO CN1CCOC[C@]1(CO)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922535637 666477155 /nfs/dbraw/zinc/47/71/55/666477155.db2.gz KGOHWGPJTXZFGA-MQDFFIGUSA-N 1 0 321.377 0.891 20 5 DCBDRO CCn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996428724 666790591 /nfs/dbraw/zinc/79/05/91/666790591.db2.gz GSWSSZGUMGFBNC-VXGBXAGGSA-N 1 0 322.369 0.044 20 5 DCBDRO CC1([NH+]2CCOCC2)CCN(Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000863314486 667127050 /nfs/dbraw/zinc/12/70/50/667127050.db2.gz LXFBLCMIIVQNSR-UHFFFAOYSA-N 1 0 309.370 0.936 20 5 DCBDRO O=C1OC[C@@]2(C[NH2+]Cc3csc([N+](=O)[O-])c3)COCCN12 ZINC000865768417 667344792 /nfs/dbraw/zinc/34/47/92/667344792.db2.gz IOBRLXFPHDIOLX-GFCCVEGCSA-N 1 0 313.335 0.967 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000923365658 667517000 /nfs/dbraw/zinc/51/70/00/667517000.db2.gz UAVTYCKIJPAFEN-QLFBSQMISA-N 1 0 323.397 0.759 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923411734 667529423 /nfs/dbraw/zinc/52/94/23/667529423.db2.gz RFEHXXHCDICTED-SCRDCRAPSA-N 1 0 307.350 0.771 20 5 DCBDRO COC(=O)[C@@H]1CN(Cc2cccnc2[N+](=O)[O-])CC[N@H+](C)C1 ZINC000886244946 667745314 /nfs/dbraw/zinc/74/53/14/667745314.db2.gz FXGTVVGEOSGUBD-LBPRGKRZSA-N 1 0 308.338 0.526 20 5 DCBDRO COC(=O)C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000754541952 668047433 /nfs/dbraw/zinc/04/74/33/668047433.db2.gz XSODXMAYBCXLGL-LBPRGKRZSA-N 1 0 309.322 0.688 20 5 DCBDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[C@H](C)C1 ZINC000839683002 668133968 /nfs/dbraw/zinc/13/39/68/668133968.db2.gz JMOQLTFDVOXMFK-YIYPIFLZSA-N 1 0 313.398 0.905 20 5 DCBDRO COC(=O)[C@]12C[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C[C@H]1COCC2 ZINC000877492560 668623427 /nfs/dbraw/zinc/62/34/27/668623427.db2.gz ZWWPGDNWOIGHJH-SMDDNHRTSA-N 1 0 324.337 0.340 20 5 DCBDRO O=C(C[NH2+][C@@H](CO)C1CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000771803321 668752198 /nfs/dbraw/zinc/75/21/98/668752198.db2.gz BOPMUXPUANDVPP-ZDUSSCGKSA-N 1 0 305.334 0.844 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934277116 669590668 /nfs/dbraw/zinc/59/06/68/669590668.db2.gz YQILRAAWGNWPRJ-UONOGXRCSA-N 1 0 323.397 0.631 20 5 DCBDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000794970437 669869553 /nfs/dbraw/zinc/86/95/53/669869553.db2.gz YVTIHOFWORIUGC-RFQIPJPRSA-N 1 0 306.318 0.979 20 5 DCBDRO CC(C)[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCO2 ZINC000949095674 670258385 /nfs/dbraw/zinc/25/83/85/670258385.db2.gz VSKHQKPDLKMMJO-CHWSQXEVSA-N 1 0 311.382 0.753 20 5 DCBDRO Nc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000808079554 670388241 /nfs/dbraw/zinc/38/82/41/670388241.db2.gz KHDXWOKQZGDMGP-GFCCVEGCSA-N 1 0 322.365 0.754 20 5 DCBDRO Nc1nccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000847406548 670549157 /nfs/dbraw/zinc/54/91/57/670549157.db2.gz DBBZXTZVXQRVLL-UWVGGRQHSA-N 1 0 321.337 0.165 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH2+]CCO)CC1 ZINC000811824057 670551754 /nfs/dbraw/zinc/55/17/54/670551754.db2.gz FVENDKMMGZVWAG-UHFFFAOYSA-N 1 0 322.365 0.505 20 5 DCBDRO CC[NH+]1CCN(CC(=O)Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000854497466 670578203 /nfs/dbraw/zinc/57/82/03/670578203.db2.gz PVZHOCHNCRQECS-UHFFFAOYSA-N 1 0 307.354 0.753 20 5 DCBDRO C[NH+](C)CC1CN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])C1 ZINC000854724453 670618368 /nfs/dbraw/zinc/61/83/68/670618368.db2.gz PRXOBCKHKSLTGN-UHFFFAOYSA-N 1 0 321.333 0.806 20 5 DCBDRO CN(CC1C[NH+](C)C1)C(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000855639186 670737594 /nfs/dbraw/zinc/73/75/94/670737594.db2.gz DNLSDHVCGIRILN-UHFFFAOYSA-N 1 0 317.349 0.965 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@]3(CCC[NH2+]3)C2)nc1 ZINC000850588323 670921096 /nfs/dbraw/zinc/92/10/96/670921096.db2.gz BFAHHXQMGBLSAD-GFCCVEGCSA-N 1 0 312.351 0.506 20 5 DCBDRO C[NH2+]C[C@@H](C)NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000850594442 670922020 /nfs/dbraw/zinc/92/20/20/670922020.db2.gz RENSJOCDRVAXFR-MRVPVSSYSA-N 1 0 305.331 0.929 20 5 DCBDRO [NH3+]CCN(CCO)C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000857767814 670945585 /nfs/dbraw/zinc/94/55/85/670945585.db2.gz HYKOKJURYVBEBJ-UHFFFAOYSA-N 1 0 319.264 0.346 20 5 DCBDRO [NH3+]CCCOCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000858632369 671024467 /nfs/dbraw/zinc/02/44/67/671024467.db2.gz RNCOKDVAGWTSKV-UHFFFAOYSA-N 1 0 321.330 0.378 20 5 DCBDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000858639550 671025533 /nfs/dbraw/zinc/02/55/33/671025533.db2.gz COLXKKVNPNSOSJ-SNVBAGLBSA-N 1 0 301.368 0.746 20 5 DCBDRO COC(=O)NC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000852766495 671158723 /nfs/dbraw/zinc/15/87/23/671158723.db2.gz CPWOVBBBPZPWLO-UHFFFAOYSA-N 1 0 324.337 0.577 20 5 DCBDRO CN(CC1C[NH+](C)C1)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000853555164 671243590 /nfs/dbraw/zinc/24/35/90/671243590.db2.gz HBPJSDAZIOPEGC-UHFFFAOYSA-N 1 0 318.333 0.642 20 5 DCBDRO Cc1noc(CONC(=[NH2+])COC[C@@H]2CCOC2)c1[N+](=O)[O-] ZINC000853726940 671262653 /nfs/dbraw/zinc/26/26/53/671262653.db2.gz ADJSBAYEOQHQHL-SECBINFHSA-N 1 0 314.298 0.943 20 5 DCBDRO O=[N+]([O-])c1ccccc1NCc1nc(N2CC[NH2+]CC2)no1 ZINC000823335093 671387609 /nfs/dbraw/zinc/38/76/09/671387609.db2.gz QRNHZOYYMAIDDD-UHFFFAOYSA-N 1 0 304.310 1.000 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000827528036 671530690 /nfs/dbraw/zinc/53/06/90/671530690.db2.gz FSGJSMXKYAXTHU-QLFBSQMISA-N 1 0 319.361 0.881 20 5 DCBDRO O=C1c2ccc([N+](=O)[O-])cc2S(=O)(=O)N1C[C@@H]1CC[NH2+]C1 ZINC000830414350 671627882 /nfs/dbraw/zinc/62/78/82/671627882.db2.gz RDPLGAKOSULHLI-MRVPVSSYSA-N 1 0 311.319 0.349 20 5 DCBDRO CN(C(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1C[NH2+]C1 ZINC000841242744 671922613 /nfs/dbraw/zinc/92/26/13/671922613.db2.gz KSEYSIPITIZVDG-UHFFFAOYSA-N 1 0 312.713 0.617 20 5 DCBDRO Cc1c(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])c(F)ccc1[N+](=O)[O-] ZINC000841256265 671923427 /nfs/dbraw/zinc/92/34/27/671923427.db2.gz UMZPUZUPWJDOOD-HTQZYQBOSA-N 1 0 312.301 0.833 20 5 DCBDRO Cc1cc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc([N+](=O)[O-])c1F ZINC000842799643 672038361 /nfs/dbraw/zinc/03/83/61/672038361.db2.gz LAZUDWZMXSLQER-ZKCHVHJHSA-N 1 0 303.315 0.810 20 5 DCBDRO O=C1[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCN1CCO ZINC000843103954 672061887 /nfs/dbraw/zinc/06/18/87/672061887.db2.gz FHPACVRZYGFWKK-UONOGXRCSA-N 1 0 323.349 0.201 20 5 DCBDRO Cn1nccc1[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843106524 672062587 /nfs/dbraw/zinc/06/25/87/672062587.db2.gz BFLNNPAHYAQLNJ-JSGCOSHPSA-N 1 0 306.322 0.685 20 5 DCBDRO [NH3+]CCc1noc(CCNC(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000843129085 672064732 /nfs/dbraw/zinc/06/47/32/672064732.db2.gz RUXXYLXUQMUJLF-UHFFFAOYSA-N 1 0 305.294 0.452 20 5 DCBDRO O=C(NCCc1cccc([N+](=O)[O-])c1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897241293 685440522 /nfs/dbraw/zinc/44/05/22/685440522.db2.gz HRQGRWIVKBAPLU-OAHLLOKOSA-N 1 0 319.361 0.974 20 5 DCBDRO CCn1cc(CC[NH2+]CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001691315021 1157639218 /nfs/dbraw/zinc/63/92/18/1157639218.db2.gz PMSKVWLIMROJNM-CHWSQXEVSA-N 1 0 309.370 0.159 20 5 DCBDRO CNC(=O)NCC(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001691340064 1157647366 /nfs/dbraw/zinc/64/73/66/1157647366.db2.gz UUYQAXBQXQGEQC-UHFFFAOYSA-N 1 0 323.353 0.072 20 5 DCBDRO Cc1cnoc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001691541146 1158326865 /nfs/dbraw/zinc/32/68/65/1158326865.db2.gz YFRSODKMJQRBQO-UHFFFAOYSA-N 1 0 322.325 0.487 20 5 DCBDRO CCn1cc(CC[NH2+]C2(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC001569399912 1161047233 /nfs/dbraw/zinc/04/72/33/1161047233.db2.gz BFIZRENCFJOCGY-CHWSQXEVSA-N 1 0 321.381 0.349 20 5 DCBDRO COc1cccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC001569932419 1161329925 /nfs/dbraw/zinc/32/99/25/1161329925.db2.gz PNJGRCCJQASPQP-NSHDSACASA-N 1 0 323.349 0.790 20 5 DCBDRO CC(C)(C(=O)NC[C@@H]1C[NH2+]CCCO1)n1cc([N+](=O)[O-])cn1 ZINC001575092387 1163889827 /nfs/dbraw/zinc/88/98/27/1163889827.db2.gz IRGYHUZNHHXOIB-NSHDSACASA-N 1 0 311.342 0.021 20 5 DCBDRO C[C@@]([NH3+])(C(=O)NC[C@@H]1COCCO1)c1cccc([N+](=O)[O-])c1 ZINC001576082003 1164234666 /nfs/dbraw/zinc/23/46/66/1164234666.db2.gz RNSATDWTWKFIAD-OCCSQVGLSA-N 1 0 309.322 0.300 20 5 DCBDRO CCN1C[C@H](NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1=O ZINC001577759574 1164783451 /nfs/dbraw/zinc/78/34/51/1164783451.db2.gz HNNGBOWTVUOVAG-ABAIWWIYSA-N 1 0 320.349 0.506 20 5 DCBDRO COc1cc([N+](=O)[O-])cnc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC001579181054 1165232332 /nfs/dbraw/zinc/23/23/32/1165232332.db2.gz VETQFNADPJDXPY-JTQLQIEISA-N 1 0 310.310 0.706 20 5 DCBDRO [NH3+][C@]1(CO)CCCN(C(=O)CCNc2ccccc2[N+](=O)[O-])C1 ZINC001580155097 1165522481 /nfs/dbraw/zinc/52/24/81/1165522481.db2.gz PVHPDDLJGXQICU-OAHLLOKOSA-N 1 0 322.365 0.709 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001580718176 1165698956 /nfs/dbraw/zinc/69/89/56/1165698956.db2.gz FLBKHXXYSLJLMW-CQSZACIVSA-N 1 0 304.306 0.719 20 5 DCBDRO CC[N@@H+]1CC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC001590731315 1166989045 /nfs/dbraw/zinc/98/90/45/1166989045.db2.gz NZFSHEVWPVXNIG-MRVPVSSYSA-N 1 0 304.314 0.676 20 5 DCBDRO C[N@H+]1CC=C(CNc2ncc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC1 ZINC001591172564 1167125446 /nfs/dbraw/zinc/12/54/46/1167125446.db2.gz WNVYPIWYPANNOG-UHFFFAOYSA-N 1 0 316.325 0.844 20 5 DCBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC001591188794 1167139736 /nfs/dbraw/zinc/13/97/36/1167139736.db2.gz POITWETVDBEYMN-UHFFFAOYSA-N 1 0 303.326 0.917 20 5 DCBDRO C[C@@H](CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[NH+](C)C ZINC001603561942 1169322897 /nfs/dbraw/zinc/32/28/97/1169322897.db2.gz JJWSBKGBEDJCNU-QMMMGPOBSA-N 1 0 306.330 0.780 20 5 DCBDRO CN1C[C@@H](C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)OC1=O ZINC001620495281 1171403984 /nfs/dbraw/zinc/40/39/84/1171403984.db2.gz KQIWXMJQNGRTOI-OCCSQVGLSA-N 1 0 309.322 0.843 20 5 DCBDRO Nc1ncc(C(=O)N2CCN([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC001628692413 1171533566 /nfs/dbraw/zinc/53/35/66/1171533566.db2.gz OWGAYWAVMFZGCK-LLVKDONJSA-N 1 0 321.337 0.119 20 5 DCBDRO C[N@@H+]1CC[C@]2(CCN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C2)C1 ZINC001636640419 1171744652 /nfs/dbraw/zinc/74/46/52/1171744652.db2.gz VJXMLRCARDCQNU-AWEZNQCLSA-N 1 0 305.338 0.740 20 5 DCBDRO C[C@@H]1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC[N@@H+](C2CC2)C1 ZINC001636746488 1171747967 /nfs/dbraw/zinc/74/79/67/1171747967.db2.gz YDNBVCVUVDSVOI-JTQLQIEISA-N 1 0 308.342 0.129 20 5 DCBDRO C[C@@H]1CN(CCNC(=O)c2cnc(N)c([N+](=O)[O-])c2)[C@@H](C)CO1 ZINC001640239946 1171873089 /nfs/dbraw/zinc/87/30/89/1171873089.db2.gz MMYVGOTUSNFVGB-VHSXEESVSA-N 1 0 323.353 0.411 20 5 DCBDRO CC[C@@H]1COCCN1CCNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC001644143318 1171997196 /nfs/dbraw/zinc/99/71/96/1171997196.db2.gz IPFFUQRLXPADLC-LLVKDONJSA-N 1 0 311.342 0.018 20 5 DCBDRO O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001644686812 1172014762 /nfs/dbraw/zinc/01/47/62/1172014762.db2.gz LKNBOUWXGJETIN-LLVKDONJSA-N 1 0 323.353 0.691 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001646288357 1172323413 /nfs/dbraw/zinc/32/34/13/1172323413.db2.gz GJBXYPCOLNKQEE-LBPRGKRZSA-N 1 0 307.354 0.558 20 5 DCBDRO CNc1ccc(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC001647773287 1173055445 /nfs/dbraw/zinc/05/54/45/1173055445.db2.gz RAMCOBQRMGGTQM-LLVKDONJSA-N 1 0 320.349 0.839 20 5 DCBDRO Cc1nc(N2CCC([N@H+](C)CCCO)CC2)ncc1[N+](=O)[O-] ZINC001650752924 1173732914 /nfs/dbraw/zinc/73/29/14/1173732914.db2.gz QSGBZEZAQILYDL-UHFFFAOYSA-N 1 0 309.370 0.976 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001652687096 1173775154 /nfs/dbraw/zinc/77/51/54/1173775154.db2.gz KMIQHZLPWCKFAT-LLVKDONJSA-N 1 0 321.333 0.563 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001653197480 1173783055 /nfs/dbraw/zinc/78/30/55/1173783055.db2.gz CRZBMDWSHIEEJO-GFCCVEGCSA-N 1 0 322.369 0.636 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@](O)(C[NH+](C)C)C2)n1 ZINC001655778310 1173827525 /nfs/dbraw/zinc/82/75/25/1173827525.db2.gz SRSMQZFRJJQDGG-AWEZNQCLSA-N 1 0 324.337 0.279 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+][C@H](CO)[C@H]3CCCOC3)C2)c1 ZINC001659452864 1173932381 /nfs/dbraw/zinc/93/23/81/1173932381.db2.gz YVAWVPSZSYCNMU-DLOFLVKXSA-N 1 0 310.354 0.872 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cnn[nH]3)CC2)cn1 ZINC001660340295 1173980486 /nfs/dbraw/zinc/98/04/86/1173980486.db2.gz SCJSWNDGQSBBBV-UHFFFAOYSA-N 1 0 303.326 0.867 20 5 DCBDRO C[C@@H](Cc1cccnc1)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001660577751 1174014278 /nfs/dbraw/zinc/01/42/78/1174014278.db2.gz PMJRJMSCJJESTB-SMDDNHRTSA-N 1 0 305.338 0.768 20 5 DCBDRO Cn1cc([C@@H]2CCC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)nn1 ZINC001660592101 1174017260 /nfs/dbraw/zinc/01/72/60/1174017260.db2.gz QAQJNPLHQBJGPG-LLVKDONJSA-N 1 0 305.342 0.799 20 5 DCBDRO COc1c(O)ccc(C[NH2+]C[C@]2(O)CCO[C@H]2C)c1[N+](=O)[O-] ZINC001664483319 1174435827 /nfs/dbraw/zinc/43/58/27/1174435827.db2.gz HLXSWIJYTTWXNH-LKFCYVNXSA-N 1 0 312.322 0.939 20 5 DCBDRO COc1ccnc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001689801540 1177056946 /nfs/dbraw/zinc/05/69/46/1177056946.db2.gz QXFKVPPVTIWVGF-ZIAGYGMSSA-N 1 0 322.365 0.694 20 5 DCBDRO CN(CCN1CC[NH+](CC2CCC2)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001691933877 1177387140 /nfs/dbraw/zinc/38/71/40/1177387140.db2.gz VMUMOXWZRVASRR-HUUCEWRRSA-N 1 0 324.425 0.528 20 5 DCBDRO Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC001699257233 1177997461 /nfs/dbraw/zinc/99/74/61/1177997461.db2.gz NGGMXNKCXPHIPR-LLGAQUFESA-N 1 0 305.338 0.212 20 5 DCBDRO COc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001707375059 1180464483 /nfs/dbraw/zinc/46/44/83/1180464483.db2.gz DPDHRQHBIKHUCE-CHWSQXEVSA-N 1 0 322.365 0.694 20 5 DCBDRO CC(C)=CC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001732063324 1185654626 /nfs/dbraw/zinc/65/46/26/1185654626.db2.gz MPTDUNDEXYKXBM-HUUCEWRRSA-N 1 0 324.425 0.694 20 5 DCBDRO Cc1nn(C)cc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001751975162 1188370275 /nfs/dbraw/zinc/37/02/75/1188370275.db2.gz RDCUPWLTOJPKHH-CHWSQXEVSA-N 1 0 309.370 0.332 20 5 DCBDRO Cn1nccc1CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1CC1 ZINC001753154362 1188516930 /nfs/dbraw/zinc/51/69/30/1188516930.db2.gz FRELBJXRTOARKJ-ZIAGYGMSSA-N 1 0 321.381 0.208 20 5 DCBDRO CCc1onc(C)c1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001754514214 1188872249 /nfs/dbraw/zinc/87/22/49/1188872249.db2.gz VCHPSUHRBVVGCL-ZYHUDNBSSA-N 1 0 322.365 0.949 20 5 DCBDRO COCCOCC(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001124908588 751740898 /nfs/dbraw/zinc/74/08/98/751740898.db2.gz NSHHLFVDTUAJQZ-UHFFFAOYSA-N 1 0 311.338 0.464 20 5 DCBDRO C[NH+](C)CCC(=O)NC/C=C\CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001107490155 752081661 /nfs/dbraw/zinc/08/16/61/752081661.db2.gz UELAOHVRUAOTNJ-ARJAWSKDSA-N 1 0 323.353 0.731 20 5 DCBDRO COc1nc(C)c([N+](=O)[O-])c(N2C[C@H]3COC[C@@H](C2)C3[NH3+])n1 ZINC001167187414 747015926 /nfs/dbraw/zinc/01/59/26/747015926.db2.gz ALTJGVZUEFQSRQ-ULKQDVFKSA-N 1 0 309.326 0.112 20 5 DCBDRO CC(C)[C@](C)(Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])C(N)=O ZINC001167411581 747168573 /nfs/dbraw/zinc/16/85/73/747168573.db2.gz RLKJTWQBSRAVEU-ZDUSSCGKSA-N 1 0 308.342 0.384 20 5 DCBDRO O=C(NCC[NH2+]Cc1cccc2c1OCCO2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126938486 750151918 /nfs/dbraw/zinc/15/19/18/750151918.db2.gz BEVFFYVQROKFLR-VXGBXAGGSA-N 1 0 321.333 0.329 20 5 DCBDRO CCOC(=O)c1cnc(-n2ccnc2C(N)=[NH2+])c([N+](=O)[O-])c1 ZINC001168411847 750635833 /nfs/dbraw/zinc/63/58/33/750635833.db2.gz MPQNQIXMSXCPKD-UHFFFAOYSA-N 1 0 304.266 0.636 20 5 DCBDRO CN1CCN(C(=[NH2+])Nc2ncnc3[nH]cc([N+](=O)[O-])c32)CC1 ZINC001168734908 753964425 /nfs/dbraw/zinc/96/44/25/753964425.db2.gz DFINXSMGLWOVHK-UHFFFAOYSA-N 1 0 304.314 0.460 20 5 DCBDRO COC(=O)c1nc(Cl)nc(N(C)C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001166978112 757993207 /nfs/dbraw/zinc/99/32/07/757993207.db2.gz KXXDKCCPPJYFAB-UHFFFAOYSA-N 1 0 301.690 0.233 20 5 DCBDRO CC(C)OCC(=O)NCCC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001155384253 759794905 /nfs/dbraw/zinc/79/49/05/759794905.db2.gz WMOSMXJZNGVJGD-UHFFFAOYSA-N 1 0 313.358 0.349 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)OC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001123249065 767953580 /nfs/dbraw/zinc/95/35/80/767953580.db2.gz XAJVJRLKMNBEFM-GFCCVEGCSA-N 1 0 324.337 0.588 20 5 DCBDRO NC(=O)c1nc(-n2cnc3ccc(C[NH3+])cc32)ccc1[N+](=O)[O-] ZINC001168838962 760474791 /nfs/dbraw/zinc/47/47/91/760474791.db2.gz RMILQZZCMINXNV-UHFFFAOYSA-N 1 0 312.289 0.886 20 5 DCBDRO CC(C)(C)OC(=O)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(N)=O ZINC001168998446 760540432 /nfs/dbraw/zinc/54/04/32/760540432.db2.gz NCBJOBDHCNSHCF-VWYCJHECSA-N 1 0 315.370 0.607 20 5 DCBDRO CN(c1ncnc(N2CCOCC2)c1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170055907 761706275 /nfs/dbraw/zinc/70/62/75/761706275.db2.gz NFGXOKQURIAUOQ-UHFFFAOYSA-N 1 0 310.358 0.395 20 5 DCBDRO COC(=O)c1cc(C)nc(NCCN(C)CC[NH3+])c1[N+](=O)[O-] ZINC001170502318 763383018 /nfs/dbraw/zinc/38/30/18/763383018.db2.gz QJDSJHSHVSLWBY-UHFFFAOYSA-N 1 0 311.342 0.387 20 5 DCBDRO Cn1cncc1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001130897059 763560081 /nfs/dbraw/zinc/56/00/81/763560081.db2.gz UNPDUPRNRIDTTD-UHFFFAOYSA-N 1 0 303.322 0.848 20 5 DCBDRO CN(C)C(=O)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001134939048 765737659 /nfs/dbraw/zinc/73/76/59/765737659.db2.gz NTHHIQJUOZRHHL-UHFFFAOYSA-N 1 0 314.367 0.340 20 5 DCBDRO CN1CCc2c(N[C@H]3C[NH2+]C[C@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784480 765762763 /nfs/dbraw/zinc/76/27/63/765762763.db2.gz UMJQJGPOXMYAGV-HZMBPMFUSA-N 1 0 306.366 0.575 20 5 DCBDRO CN1CC[NH+](CC2CN(C(=O)c3ccc([N+](=O)[O-])o3)C2)CC1 ZINC001117737366 766136776 /nfs/dbraw/zinc/13/67/76/766136776.db2.gz LQGIFHPLDIJSJW-UHFFFAOYSA-N 1 0 308.338 0.507 20 5 DCBDRO Cc1nn(C)c(C(=O)Nc2cnn(CC[NH+](C)C)c2)c1[N+](=O)[O-] ZINC001118332887 766292794 /nfs/dbraw/zinc/29/27/94/766292794.db2.gz IEBDDNLKWFGSRP-UHFFFAOYSA-N 1 0 321.341 0.647 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001143660282 766691338 /nfs/dbraw/zinc/69/13/38/766691338.db2.gz PXOAJOWOWCPXTA-UHFFFAOYSA-N 1 0 321.341 0.497 20 5 DCBDRO Cc1nn(C)c(N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1[N+](=O)[O-] ZINC001120071350 766894300 /nfs/dbraw/zinc/89/43/00/766894300.db2.gz SQKVQBIKQDDWGF-NWDGAFQWSA-N 1 0 309.370 0.672 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@]12CCC[NH2+]C2 ZINC001122509096 767821048 /nfs/dbraw/zinc/82/10/48/767821048.db2.gz RDNBRDQZJBMHQB-CQSZACIVSA-N 1 0 307.354 0.926 20 5 DCBDRO [NH3+]CCS(=O)(=O)N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172897932 769513146 /nfs/dbraw/zinc/51/31/46/769513146.db2.gz DWDJVWGVZYKTJI-LBPRGKRZSA-N 1 0 313.379 0.720 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(C)S(=O)(=O)CC[NH3+] ZINC001173214911 769561183 /nfs/dbraw/zinc/56/11/83/769561183.db2.gz RNOMZNPFUBOKLT-SNVBAGLBSA-N 1 0 301.368 0.746 20 5 DCBDRO COC(=O)CNC(=O)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220308 769564384 /nfs/dbraw/zinc/56/43/84/769564384.db2.gz XXENAVYRLLGMES-SNVBAGLBSA-N 1 0 309.322 0.405 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1cc(/C=C/C(N)=O)ccc1O ZINC001234166970 769570128 /nfs/dbraw/zinc/57/01/28/769570128.db2.gz SNNPPWCJPCWLPC-GFCCVEGCSA-O 1 0 323.369 0.253 20 5 DCBDRO CCO[C@H](CNC(=O)c1ccnc(N)c1[N+](=O)[O-])C[NH+](C)C ZINC001154442504 770181612 /nfs/dbraw/zinc/18/16/12/770181612.db2.gz KKZYMYWBLMMNCO-SECBINFHSA-N 1 0 311.342 0.269 20 5 DCBDRO O=C1C[C@@H](CNc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCN1 ZINC001154942007 770348248 /nfs/dbraw/zinc/34/82/48/770348248.db2.gz NCAQGZLWDIZDLC-QMMMGPOBSA-N 1 0 306.326 0.010 20 5 DCBDRO COC(=O)NCC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001155129279 770407784 /nfs/dbraw/zinc/40/77/84/770407784.db2.gz GCIMKNUIXWRMDG-UHFFFAOYSA-N 1 0 324.337 0.547 20 5 DCBDRO COc1ncnc(NCc2nnc3n2CCC[NH2+]C3)c1[N+](=O)[O-] ZINC001155430960 770499927 /nfs/dbraw/zinc/49/99/27/770499927.db2.gz VAIFVFYDYRJTGF-UHFFFAOYSA-N 1 0 320.313 0.090 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)nc1Cl ZINC001155570954 770547583 /nfs/dbraw/zinc/54/75/83/770547583.db2.gz PLSVNCFVUPBVLN-UFBFGSQYSA-N 1 0 311.729 0.942 20 5 DCBDRO Cc1ncc(C(=O)NCCC[NH2+]Cc2c([N+](=O)[O-])ncn2C)[nH]1 ZINC001155767931 770612494 /nfs/dbraw/zinc/61/24/94/770612494.db2.gz TVXVLFRVUZMIEQ-UHFFFAOYSA-N 1 0 321.341 0.270 20 5 DCBDRO Cc1nccn1CCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001156010084 770685774 /nfs/dbraw/zinc/68/57/74/770685774.db2.gz XWTFRSONZGTFKM-UHFFFAOYSA-N 1 0 303.326 0.689 20 5 DCBDRO O=C(Cc1cccc(F)c1[N+](=O)[O-])N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001179007987 770926933 /nfs/dbraw/zinc/92/69/33/770926933.db2.gz GFSZVKIGPAMOOX-LLVKDONJSA-N 1 0 323.324 0.866 20 5 DCBDRO CN1C(=O)CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1=O ZINC001182498477 771500554 /nfs/dbraw/zinc/50/05/54/771500554.db2.gz IYJVXFXERBATHQ-AMUVOQDHSA-N 1 0 307.310 0.232 20 5 DCBDRO CN(C)/C=C/c1cc(-n2ccnc2C(N)=[NH2+])ncc1[N+](=O)[O-] ZINC001157627533 771643721 /nfs/dbraw/zinc/64/37/21/771643721.db2.gz VNTQZTAAAYEMGG-HWKANZROSA-N 1 0 301.310 0.992 20 5 DCBDRO COC(=O)c1ccnc(NC(=N)N2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001157915203 771691933 /nfs/dbraw/zinc/69/19/33/771691933.db2.gz LAXLFTMBTNBCSB-UHFFFAOYSA-N 1 0 322.325 0.370 20 5 DCBDRO [NH3+][C@@H]1CCc2nn(-c3c(Cl)[n+]([O-])ccc3[N+](=O)[O-])cc2C1 ZINC001157988802 771708257 /nfs/dbraw/zinc/70/82/57/771708257.db2.gz OFZOBQKCCFOLKU-MRVPVSSYSA-N 1 0 309.713 0.883 20 5 DCBDRO CCO[C@@H](CNC(=O)c1c([N+](=O)[O-])c(C)nn1C)C[NH+](C)C ZINC001184247051 771762982 /nfs/dbraw/zinc/76/29/82/771762982.db2.gz UNUSSNDJJLVTEG-JTQLQIEISA-N 1 0 313.358 0.333 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(-n2ccc([C@H](C)[NH3+])n2)n1 ZINC001158356869 771763744 /nfs/dbraw/zinc/76/37/44/771763744.db2.gz VVBSPNWKUMZIKX-LURJTMIESA-N 1 0 305.298 0.857 20 5 DCBDRO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ncc([N+](=O)[O-])c(C)n1)CC2 ZINC001158643779 771800123 /nfs/dbraw/zinc/80/01/23/771800123.db2.gz WKALTFATUWJYDU-BXUZGUMPSA-N 1 0 321.337 0.425 20 5 DCBDRO CCOC(=O)c1ccnc(N2C[C@@H](OC)[C@@H]([NH3+])C2)c1[N+](=O)[O-] ZINC001158713151 771812377 /nfs/dbraw/zinc/81/23/77/771812377.db2.gz VXWKQFYGWLLKKL-VHSXEESVSA-N 1 0 310.310 0.329 20 5 DCBDRO CN(C)/C=C/c1cc(N[C@@H]2C[NH2+]C[C@H]2CO)ncc1[N+](=O)[O-] ZINC001159679021 771943537 /nfs/dbraw/zinc/94/35/37/771943537.db2.gz AUSGIUXHUSLPQU-HEKLCECKSA-N 1 0 307.354 0.514 20 5 DCBDRO C[C@H]1CN(c2nn(C)cc2[N+](=O)[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC001185801300 771957714 /nfs/dbraw/zinc/95/77/14/771957714.db2.gz DIMHQYJEYODTAQ-QWHCGFSZSA-N 1 0 322.413 0.791 20 5 DCBDRO Cc1ncc([N+](=O)[O-])c(NC2CCN([C@@H]3CC[NH2+]C3)CC2)n1 ZINC001161464808 772228277 /nfs/dbraw/zinc/22/82/77/772228277.db2.gz QZCTUPNXAAOOSL-GFCCVEGCSA-N 1 0 306.370 0.931 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1ccc2cnccc2c1[N+](=O)[O-] ZINC001162129144 772330553 /nfs/dbraw/zinc/33/05/53/772330553.db2.gz UBELPWODMGNPJN-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO COc1cc([N+](=O)[O-])c(N(CC[NH3+])S(C)(=O)=O)cc1F ZINC001162129362 772330661 /nfs/dbraw/zinc/33/06/61/772330661.db2.gz XCGMLXUUNYVSLL-UHFFFAOYSA-N 1 0 307.303 0.467 20 5 DCBDRO O=C1C[C@H](CNc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CCN1 ZINC001162332908 772362785 /nfs/dbraw/zinc/36/27/85/772362785.db2.gz OFQDNJOASVHLRD-MRVPVSSYSA-N 1 0 306.326 0.010 20 5 DCBDRO CCOC(=O)c1c(C[NH3+])ncn1-c1cnc(F)c([N+](=O)[O-])c1 ZINC001162537618 772388263 /nfs/dbraw/zinc/38/82/63/772388263.db2.gz WQAPQJXFYSNXBQ-UHFFFAOYSA-N 1 0 309.257 0.950 20 5 DCBDRO COC(=O)c1ccnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@H]23)c1[N+](=O)[O-] ZINC001162794110 772419514 /nfs/dbraw/zinc/41/95/14/772419514.db2.gz OAXIHNZEOKVBGZ-DVVUODLYSA-N 1 0 304.306 0.962 20 5 DCBDRO O=[N+]([O-])c1c[nH]c2ncnc(NC[C@H]3OC[C@H]4C[NH2+]CC[C@H]43)c12 ZINC001163164355 772476099 /nfs/dbraw/zinc/47/60/99/772476099.db2.gz SXGCAMIISIVFEK-FXPVBKGRSA-N 1 0 318.337 0.903 20 5 DCBDRO CCOc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)ccc1[N+](=O)[O-] ZINC001163255887 772495045 /nfs/dbraw/zinc/49/50/45/772495045.db2.gz ZXIZISNDJXEUQK-TZMCWYRMSA-N 1 0 306.322 0.984 20 5 DCBDRO Cn1cc(NC[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1=O ZINC001163281170 772498163 /nfs/dbraw/zinc/49/81/63/772498163.db2.gz WGYUAENBTWYILV-IAQYHMDHSA-N 1 0 322.365 0.864 20 5 DCBDRO NC(=O)c1cc([N+](=O)[O-])cnc1N[C@H]1CCO[C@@]2(CC[NH2+]C2)C1 ZINC001163304329 772502893 /nfs/dbraw/zinc/50/28/93/772502893.db2.gz HRVPATKCGJDSGU-XPTSAGLGSA-N 1 0 321.337 0.412 20 5 DCBDRO Cn1cc(N[C@H]2CCO[C@]3(CC[NH2+]C3)C2)cc([N+](=O)[O-])c1=O ZINC001163325753 772506731 /nfs/dbraw/zinc/50/67/31/772506731.db2.gz YGTRBUYDBBMRPX-IINYFYTJSA-N 1 0 308.338 0.617 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163342035 772509413 /nfs/dbraw/zinc/50/94/13/772509413.db2.gz AYKIENFNBIMTHI-ZDMBXUJBSA-N 1 0 322.321 0.626 20 5 DCBDRO C[C@H](Nc1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC001163474342 772529340 /nfs/dbraw/zinc/52/93/40/772529340.db2.gz AYXXTVJOBWBPLZ-QWRGUYRKSA-N 1 0 322.369 0.774 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)CCCF ZINC001164058022 772609495 /nfs/dbraw/zinc/60/94/95/772609495.db2.gz VLHALJUHFXVGAM-UHFFFAOYSA-N 1 0 301.322 0.674 20 5 DCBDRO Nc1nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)ncc1[N+](=O)[O-] ZINC001164303007 772642363 /nfs/dbraw/zinc/64/23/63/772642363.db2.gz NCBNISDBLYUZIE-ZJUUUORDSA-N 1 0 308.342 0.002 20 5 DCBDRO Cc1nonc1C[NH2+]CC1(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001164490190 772667477 /nfs/dbraw/zinc/66/74/77/772667477.db2.gz BWPSNIXIOBXAEW-ZYHUDNBSSA-N 1 0 323.353 0.419 20 5 DCBDRO CS(=O)(=O)N(c1cccc(C[NH3+])c1)c1cnc([N+](=O)[O-])cn1 ZINC001166484992 772815791 /nfs/dbraw/zinc/81/57/91/772815791.db2.gz IEUNPBAFSMPFIG-UHFFFAOYSA-N 1 0 323.334 0.941 20 5 DCBDRO CS(=O)(=O)N(c1ccc2cccc([N+](=O)[O-])c2n1)C1C[NH2+]C1 ZINC001166969815 772893165 /nfs/dbraw/zinc/89/31/65/772893165.db2.gz XYISENQDNFGIJG-UHFFFAOYSA-N 1 0 322.346 0.881 20 5 DCBDRO CS(=O)(=O)N(c1ncnc2ccc([N+](=O)[O-])cc21)C1C[NH2+]C1 ZINC001166969238 772893552 /nfs/dbraw/zinc/89/35/52/772893552.db2.gz QCQUVZWOSSDKCB-UHFFFAOYSA-N 1 0 323.334 0.276 20 5 DCBDRO CC(C)(CNS(N)(=O)=O)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001207403544 773199949 /nfs/dbraw/zinc/19/99/49/773199949.db2.gz NMAXTCAKSDSDGY-UHFFFAOYSA-N 1 0 316.383 0.299 20 5 DCBDRO COC(=O)[C@@H](OC(=O)C[C@@H](O)C[N+](C)(C)C)c1ccccc1 ZINC001223069392 775460518 /nfs/dbraw/zinc/46/05/18/775460518.db2.gz NMYLAKIZGZFQQL-HIFRSBDPSA-N 1 0 310.370 0.901 20 5 DCBDRO CC(C)OCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114176 775465596 /nfs/dbraw/zinc/46/55/96/775465596.db2.gz JTDINQKAVIBVJC-ZIAGYGMSSA-N 1 0 313.398 0.905 20 5 DCBDRO CCOC(=O)c1ccncc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226690093 775860295 /nfs/dbraw/zinc/86/02/95/775860295.db2.gz MDUMSVSFJRNAPU-LLVKDONJSA-N 1 0 311.358 0.621 20 5 DCBDRO CCOCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C1 ZINC001490991702 943698580 /nfs/dbraw/zinc/69/85/80/943698580.db2.gz XBOGQCDBBFDLLW-AOOOYVTPSA-N 1 0 311.342 0.102 20 5 DCBDRO COc1ccc(C[C@H](C)N[C@H]2C[NH2+]C[C@H]2CO)c([N+](=O)[O-])c1 ZINC001246307457 945380660 /nfs/dbraw/zinc/38/06/60/945380660.db2.gz MTDSEGLOQVLBQA-JKOKRWQUSA-N 1 0 309.366 0.704 20 5 DCBDRO COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CNCCN2)c([N+](=O)[O-])c1 ZINC001246488280 945419656 /nfs/dbraw/zinc/41/96/56/945419656.db2.gz JLDSDOGKKCPDJI-YPMHNXCESA-N 1 0 308.382 0.685 20 5 DCBDRO C[N@H+](C[C@H](O)CO)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475470 946400733 /nfs/dbraw/zinc/40/07/33/946400733.db2.gz RLWKXEIEZHEFQD-HNNXBMFYSA-N 1 0 309.366 0.849 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)NCC(N)=O ZINC001254547062 946409547 /nfs/dbraw/zinc/40/95/47/946409547.db2.gz UOVURRQKRDPLJG-ZJUUUORDSA-N 1 0 308.338 0.105 20 5 DCBDRO NC(=O)C1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCOCC1 ZINC001254578748 946410586 /nfs/dbraw/zinc/41/05/86/946410586.db2.gz MOULWPKPIACQLG-LBPRGKRZSA-N 1 0 305.334 0.686 20 5 DCBDRO O=C1C=CC(=O)N1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254583957 946411845 /nfs/dbraw/zinc/41/18/45/946411845.db2.gz PBTGLGSZXIXCON-GFCCVEGCSA-N 1 0 301.302 0.577 20 5 DCBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)CC(N)=O ZINC001273305275 946458795 /nfs/dbraw/zinc/45/87/95/946458795.db2.gz HNMOZSORGJQEED-UHFFFAOYSA-N 1 0 308.338 0.408 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)NCC[NH+]1CC=CC1 ZINC001322300843 946643729 /nfs/dbraw/zinc/64/37/29/946643729.db2.gz PPSIHJQDOUEFOV-UHFFFAOYSA-N 1 0 315.333 0.933 20 5 DCBDRO C[NH2+][C@@H](C)CCNC(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC001261370984 947262508 /nfs/dbraw/zinc/26/25/08/947262508.db2.gz AMIBQJWCFSOKKL-JTQLQIEISA-N 1 0 308.338 0.956 20 5 DCBDRO CC(C)(CCC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[N+](=O)[O-] ZINC001324523870 947447138 /nfs/dbraw/zinc/44/71/38/947447138.db2.gz OZVNJDCGHZXIHQ-LBPRGKRZSA-N 1 0 301.387 0.785 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC001325337366 947760251 /nfs/dbraw/zinc/76/02/51/947760251.db2.gz XKQXTPFBDVFLQM-LLVKDONJSA-N 1 0 323.353 0.645 20 5 DCBDRO CN(CCC[NH3+])C(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001327613087 948572007 /nfs/dbraw/zinc/57/20/07/948572007.db2.gz JIIGESINKKUZRK-UHFFFAOYSA-N 1 0 320.349 0.287 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC001328843457 949132171 /nfs/dbraw/zinc/13/21/71/949132171.db2.gz LLFHELAYLGWJCH-NSHDSACASA-N 1 0 309.322 0.859 20 5 DCBDRO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])n[nH]3)C2)C1 ZINC001329760588 949850609 /nfs/dbraw/zinc/85/06/09/949850609.db2.gz RWFCMDKUGZDXBD-UMNHJUIQSA-N 1 0 323.353 0.676 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001331732238 951278660 /nfs/dbraw/zinc/27/86/60/951278660.db2.gz USSQOBZJHOEMSU-JTQLQIEISA-N 1 0 308.338 0.059 20 5 DCBDRO Cn1c(C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1[N+](=O)[O-] ZINC001333773079 952150631 /nfs/dbraw/zinc/15/06/31/952150631.db2.gz UWLXJFSMGLDCHV-QMMMGPOBSA-N 1 0 302.281 0.908 20 5 DCBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001334868480 952405243 /nfs/dbraw/zinc/40/52/43/952405243.db2.gz PYYVEHUCZJRVTO-LLVKDONJSA-N 1 0 308.338 0.309 20 5 DCBDRO O=C(NC[C@H]1COCC[NH2+]1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001335215215 952488286 /nfs/dbraw/zinc/48/82/86/952488286.db2.gz BDSCUSHEUXIQQW-ZDUSSCGKSA-N 1 0 320.349 0.651 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001335498423 952546594 /nfs/dbraw/zinc/54/65/94/952546594.db2.gz FMXSSGSAHFVIHZ-CZULRBLNSA-N 1 0 302.281 0.786 20 5 DCBDRO CC[NH+]1CCN(C2CN(c3c([N+](=O)[O-])c(C)nn3C)C2)CC1 ZINC001337983932 952945143 /nfs/dbraw/zinc/94/51/43/952945143.db2.gz QUXPIDALGCWSOO-UHFFFAOYSA-N 1 0 308.386 0.463 20 5 DCBDRO CC[C@@H](C)[NH+]1CCN(c2nnc(CCC[N+](=O)[O-])n2C)CC1 ZINC001338015396 952947822 /nfs/dbraw/zinc/94/78/22/952947822.db2.gz MSIBGQFAMIPVER-GFCCVEGCSA-N 1 0 310.402 0.945 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1 ZINC001339316633 953087211 /nfs/dbraw/zinc/08/72/11/953087211.db2.gz IXAPHPAWJWFWHN-DRZSPHRISA-N 1 0 320.349 0.213 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001340863620 953200397 /nfs/dbraw/zinc/20/03/97/953200397.db2.gz UYRLFWPCKZVFJW-MELADBBJSA-N 1 0 307.350 0.737 20 5 DCBDRO CC(C)[NH+]1CCN(c2nnc(-c3n[nH]cc3[N+](=O)[O-])n2C)CC1 ZINC001344709465 953516822 /nfs/dbraw/zinc/51/68/22/953516822.db2.gz BMSQLGCNBASNRH-UHFFFAOYSA-N 1 0 320.357 0.644 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC12CCC[NH+](CCC1)C2 ZINC001347351450 954075309 /nfs/dbraw/zinc/07/53/09/954075309.db2.gz CKBHCQLORUTBGP-UHFFFAOYSA-N 1 0 307.354 0.784 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC001352536070 955657955 /nfs/dbraw/zinc/65/79/55/955657955.db2.gz NTUFWUVGASWJDZ-CQSZACIVSA-N 1 0 311.313 0.873 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC001355216015 956617630 /nfs/dbraw/zinc/61/76/30/956617630.db2.gz MQTUVJHMCCXPIP-LLVKDONJSA-N 1 0 309.370 0.948 20 5 DCBDRO C[C@H](c1nnc(N2CCN([C@H]3CCOC3)CC2)n1C)[N+](=O)[O-] ZINC001355415608 956645264 /nfs/dbraw/zinc/64/52/64/956645264.db2.gz KOHHEZDDRCPRDN-MNOVXSKESA-N 1 0 310.358 0.064 20 5 DCBDRO COCC[C@@H]1C[NH2+]CCN1C(=O)Cc1ccccc1[N+](=O)[O-] ZINC001355559495 956676304 /nfs/dbraw/zinc/67/63/04/956676304.db2.gz PMDKXJDAMZMZCZ-CYBMUJFWSA-N 1 0 307.350 0.974 20 5 DCBDRO NC(=O)c1ccnc(NC[C@H]2CCC[N@@H+]2CCCO)c1[N+](=O)[O-] ZINC001307124851 960142452 /nfs/dbraw/zinc/14/24/52/960142452.db2.gz DLXGIEVDLGUGLT-SNVBAGLBSA-N 1 0 323.353 0.347 20 5 DCBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)C3(O)CCC3)CC2)n1 ZINC001307738188 960156754 /nfs/dbraw/zinc/15/67/54/960156754.db2.gz VNAXKLXTRKVXRO-LBPRGKRZSA-N 1 0 310.354 0.704 20 5 DCBDRO O=C(c1c[nH]nc1[N+](=O)[O-])N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001471636397 1016611322 /nfs/dbraw/zinc/61/13/22/1016611322.db2.gz PRWGUXUPJYDJJG-NSHDSACASA-N 1 0 323.353 0.691 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001471868287 1016679256 /nfs/dbraw/zinc/67/92/56/1016679256.db2.gz WLZYQQINXKQMTC-UHFFFAOYSA-N 1 0 318.333 0.797 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001456291332 1010170436 /nfs/dbraw/zinc/17/04/36/1010170436.db2.gz FNCIJLBYVHYWFA-LBPRGKRZSA-N 1 0 305.334 0.727 20 5 DCBDRO Nc1ncc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC001443765590 1010641200 /nfs/dbraw/zinc/64/12/00/1010641200.db2.gz DQZOPTVZXQWAOG-NSHDSACASA-N 1 0 305.338 0.786 20 5 DCBDRO CC[N@H+](C)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC001457415425 1011706394 /nfs/dbraw/zinc/70/63/94/1011706394.db2.gz QFINPCRJUSMHHM-NSHDSACASA-N 1 0 308.338 0.309 20 5 DCBDRO CC[C@H](CN1CCOCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001458021614 1012044532 /nfs/dbraw/zinc/04/45/32/1012044532.db2.gz CQYZWQKZOVOQHF-SNVBAGLBSA-N 1 0 324.337 0.536 20 5 DCBDRO Cn1cc([N+](=O)[O-])c(C(=O)N2CCc3ccnc(N)c3C2)n1 ZINC001557841695 1012305604 /nfs/dbraw/zinc/30/56/04/1012305604.db2.gz ONIZTJDGMSZHNU-UHFFFAOYSA-N 1 0 302.294 0.504 20 5 DCBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558552272 1012366343 /nfs/dbraw/zinc/36/63/43/1012366343.db2.gz WLVASSFTHUZGGQ-BXUZGUMPSA-N 1 0 321.333 0.218 20 5 DCBDRO Cn1c(=O)c([N+](=O)[O-])c(NC[C@H](O)C[NH+](C)C)c2ccccc21 ZINC001559064977 1012401874 /nfs/dbraw/zinc/40/18/74/1012401874.db2.gz GLUKRVZSLZYBEX-JTQLQIEISA-N 1 0 320.349 0.781 20 5 DCBDRO CCNS(=O)(=O)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001560312193 1012446009 /nfs/dbraw/zinc/44/60/09/1012446009.db2.gz YOZPIRGLXMUVHX-UHFFFAOYSA-N 1 0 317.367 0.632 20 5 DCBDRO CC(C)(O)C[C@@H](O)C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001460622243 1012949221 /nfs/dbraw/zinc/94/92/21/1012949221.db2.gz USLREGBSDULJQP-HIFRSBDPSA-N 1 0 312.366 0.914 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC001520421776 1017274133 /nfs/dbraw/zinc/27/41/33/1017274133.db2.gz CKOSYAWSNZCFLS-CQSZACIVSA-N 1 0 311.313 0.873 20 5 DCBDRO NC(=O)C(=O)NC[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC001479393677 1017536897 /nfs/dbraw/zinc/53/68/97/1017536897.db2.gz KUZWSOFQVJKXKB-XYPYZODXSA-N 1 0 306.322 0.065 20 5 DCBDRO Cn1cc(CC[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001479771255 1017729766 /nfs/dbraw/zinc/72/97/66/1017729766.db2.gz XBPQCRPVBXOLRR-CHWSQXEVSA-N 1 0 309.370 0.066 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1N ZINC000317055829 530071289 /nfs/dbraw/zinc/07/12/89/530071289.db2.gz UODVFRSDKARCEQ-SNVBAGLBSA-N 1 0 307.354 0.153 20 5 DCBDRO C[N@H+](CCCn1ccnc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000181064989 199246909 /nfs/dbraw/zinc/24/69/09/199246909.db2.gz IZGBFNJSQBPTKQ-UHFFFAOYSA-N 1 0 305.338 0.975 20 5 DCBDRO [NH3+]C[C@@H]1CCCN1C(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000160218633 283470963 /nfs/dbraw/zinc/47/09/63/283470963.db2.gz PPHYZZDMIWYNOP-NSHDSACASA-N 1 0 321.333 0.858 20 5 DCBDRO CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000566116089 291271728 /nfs/dbraw/zinc/27/17/28/291271728.db2.gz TYNAVGSBBGBYFG-TZMCWYRMSA-N 1 0 323.349 0.545 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000415274071 239539094 /nfs/dbraw/zinc/53/90/94/239539094.db2.gz SSSPXXVTJKCADW-SECBINFHSA-N 1 0 322.321 0.492 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CC[NH2+]C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000422749930 240180926 /nfs/dbraw/zinc/18/09/26/240180926.db2.gz BMTNQOJWESCWSF-VIFPVBQESA-N 1 0 307.306 0.815 20 5 DCBDRO C[NH+](C)CCOC1CCN(C(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC000562398655 288572165 /nfs/dbraw/zinc/57/21/65/288572165.db2.gz IHLQPUCHHQVTKE-UHFFFAOYSA-N 1 0 311.342 0.501 20 5 DCBDRO COc1ccncc1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568502545 291431794 /nfs/dbraw/zinc/43/17/94/291431794.db2.gz VPGYMAPZGJUYGJ-LBPRGKRZSA-N 1 0 307.310 0.346 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000569494675 291482753 /nfs/dbraw/zinc/48/27/53/291482753.db2.gz PYXQEJMNGQVAMF-UHFFFAOYSA-N 1 0 306.326 0.944 20 5 DCBDRO [NH3+][C@H]1C[C@@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000569697517 291491413 /nfs/dbraw/zinc/49/14/13/291491413.db2.gz QMGOKCIRJHVYPY-TXEJJXNPSA-N 1 0 304.350 0.981 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000264830072 204189285 /nfs/dbraw/zinc/18/92/85/204189285.db2.gz ZJFOKCDKIXQUBH-LLVKDONJSA-N 1 0 307.354 0.351 20 5 DCBDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571672472 291526862 /nfs/dbraw/zinc/52/68/62/291526862.db2.gz SSZNGZNGWFIWFT-GFCCVEGCSA-N 1 0 311.338 0.402 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572060120 291547061 /nfs/dbraw/zinc/54/70/61/291547061.db2.gz RBSPJFQFPNTZEN-YPMHNXCESA-N 1 0 318.333 0.287 20 5 DCBDRO O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000188220601 284587445 /nfs/dbraw/zinc/58/74/45/284587445.db2.gz WKMONZIIKBUNGR-NWDGAFQWSA-N 1 0 322.340 0.943 20 5 DCBDRO C[N@@H+]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000272962858 210348518 /nfs/dbraw/zinc/34/85/18/210348518.db2.gz STLJFVHCVAGOOM-ZDUSSCGKSA-N 1 0 309.366 0.972 20 5 DCBDRO [NH3+][C@H]1CCCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000346064872 254004694 /nfs/dbraw/zinc/00/46/94/254004694.db2.gz HWHWQDUKTRDJPG-VIFPVBQESA-N 1 0 322.321 0.685 20 5 DCBDRO COC(=O)[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000346691005 254083844 /nfs/dbraw/zinc/08/38/44/254083844.db2.gz VJEBNONXMMGZNV-CMPLNLGQSA-N 1 0 309.322 0.640 20 5 DCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000349690934 254293006 /nfs/dbraw/zinc/29/30/06/254293006.db2.gz HAZUMUOZHHGESM-LBPRGKRZSA-N 1 0 323.397 0.689 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)CN1c2cc([N+](=O)[O-])ccc2OCC1=O ZINC000349940953 254305048 /nfs/dbraw/zinc/30/50/48/254305048.db2.gz VHMPVQFXVXKAQT-VIFPVBQESA-N 1 0 322.321 0.174 20 5 DCBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)c1 ZINC000350750817 254324933 /nfs/dbraw/zinc/32/49/33/254324933.db2.gz ZBQYSZOLQVUWLS-GFCCVEGCSA-N 1 0 300.336 0.498 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000295168061 224487928 /nfs/dbraw/zinc/48/79/28/224487928.db2.gz FTJXHAYWNSXFNL-PJXYFTJBSA-N 1 0 314.305 0.123 20 5 DCBDRO Cc1n[nH]c(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000330779647 533666171 /nfs/dbraw/zinc/66/61/71/533666171.db2.gz WJNUPOITDRFUCX-SNVBAGLBSA-N 1 0 324.385 0.240 20 5 DCBDRO O=C(NCCC[NH+]1CCC(O)CC1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000275667277 130358598 /nfs/dbraw/zinc/35/85/98/130358598.db2.gz FLMBDLZPCOQYIW-UHFFFAOYSA-N 1 0 324.337 0.272 20 5 DCBDRO C[N@H+](CCCS(N)(=O)=O)CCc1ccccc1[N+](=O)[O-] ZINC000285174827 131145148 /nfs/dbraw/zinc/14/51/48/131145148.db2.gz BHLDYSRWHOAYDR-UHFFFAOYSA-N 1 0 301.368 0.748 20 5 DCBDRO O=[N+]([O-])c1nn(CCN2CC[NH2+]CC2)cc1Br ZINC000043500117 395753028 /nfs/dbraw/zinc/75/30/28/395753028.db2.gz RYUWFGZTCSVXGC-UHFFFAOYSA-N 1 0 304.148 0.459 20 5 DCBDRO CC[NH+]1CCN([C@H](C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000046947737 395782777 /nfs/dbraw/zinc/78/27/77/395782777.db2.gz RQVRGVSWWCVPEX-LLVKDONJSA-N 1 0 309.370 0.679 20 5 DCBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000111265423 395805040 /nfs/dbraw/zinc/80/50/40/395805040.db2.gz HQRPILRAITZRAI-GFCCVEGCSA-N 1 0 320.349 0.652 20 5 DCBDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000111304068 395806971 /nfs/dbraw/zinc/80/69/71/395806971.db2.gz ZRBQOVBJSUCNAP-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1N)[C@H]1CN(C)CCO1 ZINC000134989709 395936145 /nfs/dbraw/zinc/93/61/45/395936145.db2.gz OAASGDGIWIAZPE-BXKDBHETSA-N 1 0 308.338 0.626 20 5 DCBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000064312893 395985440 /nfs/dbraw/zinc/98/54/40/395985440.db2.gz ZFDMRAQPUQZDNC-GRYCIOLGSA-N 1 0 324.385 0.669 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000252754834 396024755 /nfs/dbraw/zinc/02/47/55/396024755.db2.gz CYSQKWDBTWYDHJ-MTBHXBHISA-N 1 0 301.299 0.230 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000261666644 396053962 /nfs/dbraw/zinc/05/39/62/396053962.db2.gz LAAZUQMYWJAJSI-WDEREUQCSA-N 1 0 311.363 0.825 20 5 DCBDRO COCC1(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000261760502 396062696 /nfs/dbraw/zinc/06/26/96/396062696.db2.gz QELCDVLMAUIVKD-UHFFFAOYSA-N 1 0 322.365 0.923 20 5 DCBDRO C[NH2+][C@@H](C)CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000261790869 396066211 /nfs/dbraw/zinc/06/62/11/396066211.db2.gz QUMWTTIHMINHAI-VIFPVBQESA-N 1 0 318.337 0.822 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000261790868 396066711 /nfs/dbraw/zinc/06/67/11/396066711.db2.gz QUMWTTIHMINHAI-SECBINFHSA-N 1 0 318.337 0.822 20 5 DCBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C[C@@H]12 ZINC000261788786 396066769 /nfs/dbraw/zinc/06/67/69/396066769.db2.gz XOJCUFXNSPZPEQ-OASPWFOLSA-N 1 0 311.363 0.953 20 5 DCBDRO Cc1nc(N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1[N+](=O)[O-] ZINC000262119360 396101081 /nfs/dbraw/zinc/10/10/81/396101081.db2.gz KMSCTJSCYJJJHW-NSHDSACASA-N 1 0 307.354 0.590 20 5 DCBDRO CNC(=O)c1ccc(NCC[N@H+](C)CCOC)c([N+](=O)[O-])c1 ZINC000171070395 396105304 /nfs/dbraw/zinc/10/53/04/396105304.db2.gz SVAMRJFLWPIDBU-UHFFFAOYSA-N 1 0 310.354 0.945 20 5 DCBDRO O=C(C[C@@H]1COCC[NH2+]1)NCCNc1ccccc1[N+](=O)[O-] ZINC000262280681 396117346 /nfs/dbraw/zinc/11/73/46/396117346.db2.gz XAMNEJIRKPNLHI-LLVKDONJSA-N 1 0 308.338 0.501 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C2CCOCC2)CC1 ZINC000175832359 396143702 /nfs/dbraw/zinc/14/37/02/396143702.db2.gz WXRSBGXAHJETKS-UHFFFAOYSA-N 1 0 323.353 0.115 20 5 DCBDRO C[NH+](C)CCCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000072934417 396139613 /nfs/dbraw/zinc/13/96/13/396139613.db2.gz FTSVPTUKJIJKTQ-UHFFFAOYSA-N 1 0 323.349 0.976 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC(C)(C)C[NH3+] ZINC000262551722 396153835 /nfs/dbraw/zinc/15/38/35/396153835.db2.gz RYXGFWGNSYBTLH-VIFPVBQESA-N 1 0 308.338 0.567 20 5 DCBDRO COC1(C(=O)NCCNc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000178344337 396193880 /nfs/dbraw/zinc/19/38/80/396193880.db2.gz QIKPDFYRITYBKO-UHFFFAOYSA-N 1 0 322.365 0.892 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000264478441 396283466 /nfs/dbraw/zinc/28/34/66/396283466.db2.gz HKORBMMSLYFOJN-LBPRGKRZSA-N 1 0 323.349 0.811 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])C1 ZINC000264609707 396295293 /nfs/dbraw/zinc/29/52/93/396295293.db2.gz ZGGDZPNXSXFXCT-CYBMUJFWSA-N 1 0 307.350 0.974 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000187197535 396365396 /nfs/dbraw/zinc/36/53/96/396365396.db2.gz MKOJQPXUWBVEDR-UHFFFAOYSA-N 1 0 324.381 0.751 20 5 DCBDRO C[C@H]1CN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000269197468 396393813 /nfs/dbraw/zinc/39/38/13/396393813.db2.gz JHWXXBYQKDWDIY-NSHDSACASA-N 1 0 320.349 0.535 20 5 DCBDRO COC(=O)c1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc([N+](=O)[O-])c1 ZINC000269242638 396398914 /nfs/dbraw/zinc/39/89/14/396398914.db2.gz QTPHPZNBFYPCBP-GFCCVEGCSA-N 1 0 323.305 0.698 20 5 DCBDRO Cc1cn2c(n1)[C@@H](CNC(=O)Cn1ccc([N+](=O)[O-])n1)CCC2 ZINC000372251785 396499369 /nfs/dbraw/zinc/49/93/69/396499369.db2.gz NGZGAWPKJSJTAP-LLVKDONJSA-N 1 0 318.337 0.990 20 5 DCBDRO O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000580789387 396500991 /nfs/dbraw/zinc/50/09/91/396500991.db2.gz SAEAZUKJNABCCY-HNNXBMFYSA-N 1 0 323.324 0.920 20 5 DCBDRO COc1cc(C[NH2+]C[C@]2(O)CCOC2)c([N+](=O)[O-])cc1OC ZINC000269978845 396457180 /nfs/dbraw/zinc/45/71/80/396457180.db2.gz MPRNNOYBXWZAMC-CQSZACIVSA-N 1 0 312.322 0.853 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000531013137 396587617 /nfs/dbraw/zinc/58/76/17/396587617.db2.gz HAPIRRPWNYASSL-UHFFFAOYSA-N 1 0 309.322 1.000 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CCN2C1=O ZINC000594875974 396533314 /nfs/dbraw/zinc/53/33/14/396533314.db2.gz UOYIEMLKCYHSCN-CABZTGNLSA-N 1 0 308.313 0.478 20 5 DCBDRO C[C@@H]1C[NH2+][C@@H](C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000595108946 396549903 /nfs/dbraw/zinc/54/99/03/396549903.db2.gz RITIKQYELXQTLZ-DTWKUNHWSA-N 1 0 300.340 0.361 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000595115621 396550918 /nfs/dbraw/zinc/55/09/18/396550918.db2.gz KGBXYEPODHDXGD-UHFFFAOYSA-N 1 0 317.367 0.961 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CCN2C1=O ZINC000581559207 396565519 /nfs/dbraw/zinc/56/55/19/396565519.db2.gz QGSUHABHJLZYRO-ZJUUUORDSA-N 1 0 316.321 0.219 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000595239632 396568391 /nfs/dbraw/zinc/56/83/91/396568391.db2.gz FQGQJBAZBOQBQK-UHFFFAOYSA-N 1 0 324.337 0.738 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000595471130 396614208 /nfs/dbraw/zinc/61/42/08/396614208.db2.gz XKOUHUOGYMMJHP-CQSZACIVSA-N 1 0 323.397 0.978 20 5 DCBDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562824490 396682881 /nfs/dbraw/zinc/68/28/81/396682881.db2.gz UZUZTVFWTWNPGQ-LBPRGKRZSA-N 1 0 322.365 0.701 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000595932072 396685809 /nfs/dbraw/zinc/68/58/09/396685809.db2.gz KQQRNKDYNLTDTH-DGCLKSJQSA-N 1 0 309.322 0.583 20 5 DCBDRO COc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000588869443 396696596 /nfs/dbraw/zinc/69/65/96/396696596.db2.gz PUFPOUWRCRMXNR-GFCCVEGCSA-N 1 0 323.349 0.790 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C)C[NH2+]C ZINC000595983006 396702914 /nfs/dbraw/zinc/70/29/14/396702914.db2.gz MKFNFUXJDLYTJW-SCZZXKLOSA-N 1 0 312.374 0.551 20 5 DCBDRO CN(CC(C)(C)C[NH3+])S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000563121508 396705648 /nfs/dbraw/zinc/70/56/48/396705648.db2.gz FXOZUQVITQIGEW-UHFFFAOYSA-N 1 0 302.356 0.595 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CCN2C1=O ZINC000596014315 396707986 /nfs/dbraw/zinc/70/79/86/396707986.db2.gz NNWFXYIEKCQEKU-CBAPKCEASA-N 1 0 311.729 0.391 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596129161 396722016 /nfs/dbraw/zinc/72/20/16/396722016.db2.gz PDECMVILFOZUNF-CQSZACIVSA-N 1 0 306.322 0.710 20 5 DCBDRO [NH3+]CCCCC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315424269 396789455 /nfs/dbraw/zinc/78/94/55/396789455.db2.gz CUWZNIZCTJFYNV-UHFFFAOYSA-N 1 0 307.354 0.767 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000315288885 396789728 /nfs/dbraw/zinc/78/97/28/396789728.db2.gz HEMTXVCCCBNNNW-UHFFFAOYSA-N 1 0 306.322 0.065 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596199063 396729901 /nfs/dbraw/zinc/72/99/01/396729901.db2.gz BBKKXFAATUINMS-QWRGUYRKSA-N 1 0 322.365 0.585 20 5 DCBDRO COC(=O)c1cc(C)nc(N[C@H](CO)C[NH+](C)C)c1[N+](=O)[O-] ZINC000596244986 396742559 /nfs/dbraw/zinc/74/25/59/396742559.db2.gz UCJSLFVRITXIEB-VIFPVBQESA-N 1 0 312.326 0.419 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600315872 396797031 /nfs/dbraw/zinc/79/70/31/396797031.db2.gz WILIILXLJPJVKY-LBPRGKRZSA-N 1 0 309.370 0.948 20 5 DCBDRO C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000590386447 396768958 /nfs/dbraw/zinc/76/89/58/396768958.db2.gz ABWDNLWWVNRFIG-JTQLQIEISA-N 1 0 323.353 0.643 20 5 DCBDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590661076 396820655 /nfs/dbraw/zinc/82/06/55/396820655.db2.gz IGFZGMZTUTXKKW-VIFPVBQESA-N 1 0 309.322 0.980 20 5 DCBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000611200840 396833843 /nfs/dbraw/zinc/83/38/43/396833843.db2.gz DOQRTNCRRIMROD-AWEZNQCLSA-N 1 0 304.350 0.601 20 5 DCBDRO COc1cc(C[NH2+]C[C@H]2CCCNC2=O)c([N+](=O)[O-])cc1O ZINC000590971850 396861186 /nfs/dbraw/zinc/86/11/86/396861186.db2.gz QJRUROWEGPUZEE-SECBINFHSA-N 1 0 309.322 0.925 20 5 DCBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590567145 396799757 /nfs/dbraw/zinc/79/97/57/396799757.db2.gz YCFJIGUKJRITQA-CMPLNLGQSA-N 1 0 308.338 0.308 20 5 DCBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590567148 396800127 /nfs/dbraw/zinc/80/01/27/396800127.db2.gz YCFJIGUKJRITQA-ZYHUDNBSSA-N 1 0 308.338 0.308 20 5 DCBDRO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000376111524 396877485 /nfs/dbraw/zinc/87/74/85/396877485.db2.gz GGRWVRAPEHGDLD-MFKMUULPSA-N 1 0 311.363 0.967 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@@H](O)C1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000600529827 396883712 /nfs/dbraw/zinc/88/37/12/396883712.db2.gz DHYKZEWPJVLIBN-SNVBAGLBSA-N 1 0 319.321 0.268 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000600533182 396885482 /nfs/dbraw/zinc/88/54/82/396885482.db2.gz KMCAQPPGOOFSEF-SNVBAGLBSA-N 1 0 309.322 0.400 20 5 DCBDRO COc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000600544851 396887210 /nfs/dbraw/zinc/88/72/10/396887210.db2.gz GFNFVRFEHILPPS-LLVKDONJSA-N 1 0 309.322 0.400 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)NCCc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000591347033 396904350 /nfs/dbraw/zinc/90/43/50/396904350.db2.gz AABSXXBDLDNTRN-SMDDNHRTSA-N 1 0 322.365 0.895 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2COCCN2)n1 ZINC000600708760 396924978 /nfs/dbraw/zinc/92/49/78/396924978.db2.gz FTPBILCTLULHIW-JHJVBQTASA-N 1 0 309.370 0.853 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc2c1CC[NH2+]C2 ZINC000571789797 396988219 /nfs/dbraw/zinc/98/82/19/396988219.db2.gz NQICUQIXAANHHZ-UHFFFAOYSA-N 1 0 302.294 0.471 20 5 DCBDRO CN1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1=O ZINC000591747755 396995545 /nfs/dbraw/zinc/99/55/45/396995545.db2.gz FKICHUWDZPKRMI-TZMCWYRMSA-N 1 0 323.349 0.545 20 5 DCBDRO C[C@H](C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccncc1 ZINC000591749111 396996965 /nfs/dbraw/zinc/99/69/65/396996965.db2.gz FFGHWQPVYWFFBQ-BXUZGUMPSA-N 1 0 305.338 0.941 20 5 DCBDRO Cc1cc(C)c(S(=O)(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1[N+](=O)[O-] ZINC000601346109 397069765 /nfs/dbraw/zinc/06/97/65/397069765.db2.gz MSWKXKAKBDZVQG-QWRGUYRKSA-N 1 0 311.363 0.946 20 5 DCBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601348284 397072263 /nfs/dbraw/zinc/07/22/63/397072263.db2.gz TZCVIEIRKLMPFK-DTORHVGOSA-N 1 0 315.326 0.859 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000377450644 397084026 /nfs/dbraw/zinc/08/40/26/397084026.db2.gz DJWYTOQFRQFPCG-LBPRGKRZSA-N 1 0 307.354 0.878 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377513306 397090785 /nfs/dbraw/zinc/09/07/85/397090785.db2.gz SQIKYGKILWRKIV-DGCLKSJQSA-N 1 0 323.353 0.161 20 5 DCBDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000618970399 397049772 /nfs/dbraw/zinc/04/97/72/397049772.db2.gz BWENMFVJKINQPU-BMIGLBTASA-N 1 0 324.333 0.996 20 5 DCBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000597925517 397131154 /nfs/dbraw/zinc/13/11/54/397131154.db2.gz WJWTYCAJEYMEAK-LLVKDONJSA-N 1 0 322.365 0.746 20 5 DCBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000592294575 397144865 /nfs/dbraw/zinc/14/48/65/397144865.db2.gz DULKURYPGMVFKL-VIFPVBQESA-N 1 0 307.306 0.787 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000592306645 397148174 /nfs/dbraw/zinc/14/81/74/397148174.db2.gz DMLBVBJUNHTUKU-ZWNOBZJWSA-N 1 0 309.322 0.548 20 5 DCBDRO COc1ccc(CC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000592308466 397149633 /nfs/dbraw/zinc/14/96/33/397149633.db2.gz MYDWGLSWVOIGCL-IINYFYTJSA-N 1 0 323.349 0.721 20 5 DCBDRO C[NH+](C)CC1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000601423798 397114891 /nfs/dbraw/zinc/11/48/91/397114891.db2.gz MFSFFRJKSKZYLD-UHFFFAOYSA-N 1 0 317.342 0.916 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000592468490 397184463 /nfs/dbraw/zinc/18/44/63/397184463.db2.gz APQVZODMMDBCGK-UHFFFAOYSA-N 1 0 320.393 0.891 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000592477044 397187038 /nfs/dbraw/zinc/18/70/38/397187038.db2.gz NMXADXQLUWVIIF-SMDDNHRTSA-N 1 0 322.365 0.606 20 5 DCBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592568731 397219216 /nfs/dbraw/zinc/21/92/16/397219216.db2.gz XMZVGDKNDGQVTI-QWRGUYRKSA-N 1 0 322.365 0.957 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000592568747 397219743 /nfs/dbraw/zinc/21/97/43/397219743.db2.gz XUAFZBJKYTWNMY-GARJFASQSA-N 1 0 322.365 0.955 20 5 DCBDRO [NH3+]C[C@@H](NC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000598664125 397271486 /nfs/dbraw/zinc/27/14/86/397271486.db2.gz GZECIRIUBBLMFH-GFCCVEGCSA-N 1 0 321.337 0.570 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000389931322 397298588 /nfs/dbraw/zinc/29/85/88/397298588.db2.gz WBXAZYAZVPNTJP-LLVKDONJSA-N 1 0 307.354 0.053 20 5 DCBDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598915111 397307560 /nfs/dbraw/zinc/30/75/60/397307560.db2.gz HUPQJHXOJQSOKQ-SNVBAGLBSA-N 1 0 306.322 0.601 20 5 DCBDRO C[N@@H+]1CC[C@@H](CNc2ncnc(N3CCOCC3)c2[N+](=O)[O-])C1 ZINC000598593855 397254197 /nfs/dbraw/zinc/25/41/97/397254197.db2.gz XNMHMJXOBXAQEU-NSHDSACASA-N 1 0 322.369 0.585 20 5 DCBDRO CN(CCOCC[NH3+])S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000599110157 397340197 /nfs/dbraw/zinc/34/01/97/397340197.db2.gz ISDZVRKXFBOIPN-UHFFFAOYSA-N 1 0 303.340 0.191 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000614418971 397434745 /nfs/dbraw/zinc/43/47/45/397434745.db2.gz MSKXPMNCBHGSDF-LLVKDONJSA-N 1 0 304.310 0.295 20 5 DCBDRO O=C(CSc1ccc([N+](=O)[O-])cc1)NC[C@H]1COCC[NH2+]1 ZINC000602556786 397439154 /nfs/dbraw/zinc/43/91/54/397439154.db2.gz MORXWIMZPREXCQ-JTQLQIEISA-N 1 0 311.363 0.792 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c1 ZINC000578506994 397445433 /nfs/dbraw/zinc/44/54/33/397445433.db2.gz CPHKMONZPGXYFM-MXWKQRLJSA-N 1 0 320.296 0.291 20 5 DCBDRO O=C(c1cc2c(cc1[N+](=O)[O-])OCCO2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602601339 397446980 /nfs/dbraw/zinc/44/69/80/397446980.db2.gz KMWOMVJQQKSTAU-IUCAKERBSA-N 1 0 305.290 0.552 20 5 DCBDRO CO[C@H]1CS(=O)(=O)C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602706652 397467933 /nfs/dbraw/zinc/46/79/33/397467933.db2.gz GUZZHMBDANTLIG-OLZOCXBDSA-N 1 0 314.363 0.539 20 5 DCBDRO Cc1cc([N+](=O)[O-])nn1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC000593900292 397470737 /nfs/dbraw/zinc/47/07/37/397470737.db2.gz NKRXSUZROUMDTI-UHFFFAOYSA-N 1 0 303.322 0.837 20 5 DCBDRO C[NH+]1CCN(Cc2cn(Cc3cccc([N+](=O)[O-])c3)nn2)CC1 ZINC000603160335 397576479 /nfs/dbraw/zinc/57/64/79/397576479.db2.gz GXWSGTXVFOWUDT-UHFFFAOYSA-N 1 0 316.365 0.982 20 5 DCBDRO Cc1nn(C)c(C(=O)NC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000604382269 397638572 /nfs/dbraw/zinc/63/85/72/397638572.db2.gz GEDWPAQUJKZELV-UHFFFAOYSA-N 1 0 307.354 0.993 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000609883490 397795686 /nfs/dbraw/zinc/79/56/86/397795686.db2.gz NYCSHFVKBGUYHV-UHFFFAOYSA-N 1 0 310.354 0.510 20 5 DCBDRO CC(C)[NH+]1CCC(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000125836061 158259101 /nfs/dbraw/zinc/25/91/01/158259101.db2.gz OUZVRNZLCQKNSQ-UHFFFAOYSA-N 1 0 322.365 0.746 20 5 DCBDRO CNS(=O)(=O)c1ccc(NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000131919960 158306434 /nfs/dbraw/zinc/30/64/34/158306434.db2.gz LIHYNFUILMUQHW-SECBINFHSA-N 1 0 314.367 0.524 20 5 DCBDRO CC[C@](C)([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(N)=O ZINC000133556475 158320813 /nfs/dbraw/zinc/32/08/13/158320813.db2.gz GGGKEAIKWIKQPZ-FZMZJTMJSA-N 1 0 311.338 0.578 20 5 DCBDRO O=C(N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)[C@]1(F)CC[NH2+]C1 ZINC000169193291 158373281 /nfs/dbraw/zinc/37/32/81/158373281.db2.gz VXORHFVHXOVXPA-HZMBPMFUSA-N 1 0 323.328 0.704 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[NH2+]C[C@H]1C ZINC000261693710 158730407 /nfs/dbraw/zinc/73/04/07/158730407.db2.gz BRBUWYCLUKZCHM-SNVBAGLBSA-N 1 0 308.338 0.836 20 5 DCBDRO O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261888472 158749894 /nfs/dbraw/zinc/74/98/94/158749894.db2.gz NIPPCTJAKWDBPX-ZDUSSCGKSA-N 1 0 322.340 0.854 20 5 DCBDRO CC[NH2+][C@H](C)CNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000262424067 158811743 /nfs/dbraw/zinc/81/17/43/158811743.db2.gz CDSXREVIYIDRDS-SECBINFHSA-N 1 0 317.367 0.880 20 5 DCBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000262467853 158815317 /nfs/dbraw/zinc/81/53/17/158815317.db2.gz IZDBBNVELDDCSJ-GFCCVEGCSA-N 1 0 304.350 0.715 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000323071826 159012847 /nfs/dbraw/zinc/01/28/47/159012847.db2.gz ONDBGLYCFMFMQU-MWLCHTKSSA-N 1 0 321.337 0.165 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000367834215 159358894 /nfs/dbraw/zinc/35/88/94/159358894.db2.gz VBAPYDWPLKWQRH-UWVGGRQHSA-N 1 0 317.342 0.882 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2cnc([N+](=O)[O-])n2)C2(CCCCC2)C1 ZINC000408358450 160091315 /nfs/dbraw/zinc/09/13/15/160091315.db2.gz GEJPBHDJWIBUGP-UHFFFAOYSA-N 1 0 322.369 0.663 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000415428447 287236207 /nfs/dbraw/zinc/23/62/07/287236207.db2.gz HIRACPFMTLRUGG-JTQLQIEISA-N 1 0 306.322 0.662 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419150616 287269915 /nfs/dbraw/zinc/26/99/15/287269915.db2.gz MPRYUUQGMRRSTF-JTQLQIEISA-N 1 0 308.338 0.498 20 5 DCBDRO C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)C1=CC[N@H+](C)CC1 ZINC000273052234 415305539 /nfs/dbraw/zinc/30/55/39/415305539.db2.gz XLEULOHQLKNJJM-NSHDSACASA-N 1 0 307.354 0.948 20 5 DCBDRO NC(=O)c1cccc(N2CCN3CCOC[C@H]3C2)c1[N+](=O)[O-] ZINC000342833264 415308822 /nfs/dbraw/zinc/30/88/22/415308822.db2.gz XZCNJZDJBRHOAJ-SNVBAGLBSA-N 1 0 306.322 0.215 20 5 DCBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1COC[C@H]1O ZINC000352797181 415324756 /nfs/dbraw/zinc/32/47/56/415324756.db2.gz IBPRVJPRGBAGRX-QWHCGFSZSA-N 1 0 309.322 0.615 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278819148 415491036 /nfs/dbraw/zinc/49/10/36/415491036.db2.gz POQJCPVOJAKMRN-BETUJISGSA-N 1 0 309.322 0.269 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278819155 415492453 /nfs/dbraw/zinc/49/24/53/415492453.db2.gz POQJCPVOJAKMRN-CHWSQXEVSA-N 1 0 309.322 0.269 20 5 DCBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CCC(N)=O ZINC000353220155 415479232 /nfs/dbraw/zinc/47/92/32/415479232.db2.gz YKIHBZZQVPEGIN-UHFFFAOYSA-N 1 0 322.321 0.700 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353402190 415530033 /nfs/dbraw/zinc/53/00/33/415530033.db2.gz QJYHFLQEBMXNOM-NEPJUHHUSA-N 1 0 307.354 0.558 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000289820450 415720734 /nfs/dbraw/zinc/72/07/34/415720734.db2.gz ATDIDEHLLZKVLZ-LBPRGKRZSA-N 1 0 307.354 0.639 20 5 DCBDRO C[C@@H](O)C[N@H+](CCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000289931065 415739548 /nfs/dbraw/zinc/73/95/48/415739548.db2.gz UVGOGMQIQBAONI-YPMHNXCESA-N 1 0 314.338 0.010 20 5 DCBDRO C[C@@H]1COCCN1CCNC(=O)COc1ccccc1[N+](=O)[O-] ZINC000355090600 415842114 /nfs/dbraw/zinc/84/21/14/415842114.db2.gz SFLHFMKPHCVPJG-GFCCVEGCSA-N 1 0 323.349 0.811 20 5 DCBDRO Cc1c(CC(=O)NC[C@@](C)(O)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000153111809 415975089 /nfs/dbraw/zinc/97/50/89/415975089.db2.gz RKIZGLTUOJZIQU-OAHLLOKOSA-N 1 0 309.366 0.875 20 5 DCBDRO C[C@@H](O)C[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298509297 416011790 /nfs/dbraw/zinc/01/17/90/416011790.db2.gz KNRSOHYMEWYXAX-LLVKDONJSA-N 1 0 311.338 0.599 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC[NH+](C)C ZINC000170400061 416027684 /nfs/dbraw/zinc/02/76/84/416027684.db2.gz VGHSOOOSEKKJPL-UHFFFAOYSA-N 1 0 310.310 0.220 20 5 DCBDRO CCC(CC)(CCO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000338370621 416087182 /nfs/dbraw/zinc/08/71/82/416087182.db2.gz NSUPEZPYFDXHDJ-GFCCVEGCSA-N 1 0 300.359 0.683 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2ccc([N+](=O)[O-])n2C)CC1 ZINC000345730391 416140905 /nfs/dbraw/zinc/14/09/05/416140905.db2.gz XQHONWDDSGPKPV-UHFFFAOYSA-N 1 0 323.397 0.691 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357883714 416147452 /nfs/dbraw/zinc/14/74/52/416147452.db2.gz USUJUGASHVXDLC-UHFFFAOYSA-N 1 0 307.354 0.934 20 5 DCBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCO[C@H](C[NH3+])C1 ZINC000358133501 416199734 /nfs/dbraw/zinc/19/97/34/416199734.db2.gz YSVXTFQAXDPLOZ-GXFFZTMASA-N 1 0 308.338 0.581 20 5 DCBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331295266 416305312 /nfs/dbraw/zinc/30/53/12/416305312.db2.gz SJNHHSNFBGFALP-UVLXDEKHSA-N 1 0 312.370 0.634 20 5 DCBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000331460682 416316594 /nfs/dbraw/zinc/31/65/94/416316594.db2.gz YWXFPHCGXVSAEG-GHMZBOCLSA-N 1 0 308.342 0.272 20 5 DCBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cc([N+](=O)[O-])cnc1N ZINC000331467850 416317324 /nfs/dbraw/zinc/31/73/24/416317324.db2.gz HTOFUTBTIDQAJV-PELKAZGASA-N 1 0 305.338 0.785 20 5 DCBDRO [NH3+][C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12 ZINC000248577554 416333674 /nfs/dbraw/zinc/33/36/74/416333674.db2.gz DWIBEWROOSJZMA-GMTAPVOTSA-N 1 0 311.363 0.953 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000415652614 416350726 /nfs/dbraw/zinc/35/07/26/416350726.db2.gz DOZSBSBIJROODX-SNVBAGLBSA-N 1 0 308.338 0.956 20 5 DCBDRO Cc1c(CNC(=O)C(=O)N2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000419753742 416408887 /nfs/dbraw/zinc/40/88/87/416408887.db2.gz AMFKRTPUTGBBMU-UHFFFAOYSA-N 1 0 320.349 0.341 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NCC2([NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000419766254 416409518 /nfs/dbraw/zinc/40/95/18/416409518.db2.gz YESDZTCGVAGBMG-UHFFFAOYSA-N 1 0 320.349 0.517 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000419763759 416409706 /nfs/dbraw/zinc/40/97/06/416409706.db2.gz VFFHCOPACWOCSN-SNVBAGLBSA-N 1 0 322.365 0.634 20 5 DCBDRO O=C(COC1CC[NH2+]CC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000422940459 416449633 /nfs/dbraw/zinc/44/96/33/416449633.db2.gz SUCMRABKOMHVRG-UHFFFAOYSA-N 1 0 322.365 0.892 20 5 DCBDRO COCCC[NH+]1CCC(Nc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590576188 416529565 /nfs/dbraw/zinc/52/95/65/416529565.db2.gz QPIHRQYYQZFVMJ-UHFFFAOYSA-N 1 0 309.370 1.485 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1CO ZINC000362069944 416554517 /nfs/dbraw/zinc/55/45/17/416554517.db2.gz VLBLBKMWCPGFSO-JHJVBQTASA-N 1 0 310.350 0.895 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1CO ZINC000362073068 416555593 /nfs/dbraw/zinc/55/55/93/416555593.db2.gz TWYBHKCLTHIXSF-BZPMIXESSA-N 1 0 310.350 0.895 20 5 DCBDRO CN1CCNC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423502705 416517375 /nfs/dbraw/zinc/51/73/75/416517375.db2.gz FGVQDTPVOCYKER-MCIONIFRSA-N 1 0 322.413 0.768 20 5 DCBDRO C[C@@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C[C@H]1C[NH3+] ZINC000424020589 416606258 /nfs/dbraw/zinc/60/62/58/416606258.db2.gz SRODKONOZISQEB-GHMZBOCLSA-N 1 0 308.338 0.200 20 5 DCBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(N)c([N+](=O)[O-])n2)C1 ZINC000596058382 416576371 /nfs/dbraw/zinc/57/63/71/416576371.db2.gz GKMFEIQHRQKBPR-LLVKDONJSA-N 1 0 309.370 1.341 20 5 DCBDRO O=C1C[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CN1 ZINC000514931864 416683323 /nfs/dbraw/zinc/68/33/23/416683323.db2.gz APKJTJXYLXUVPQ-JQWIXIFHSA-N 1 0 309.322 0.060 20 5 DCBDRO C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000542809813 416632571 /nfs/dbraw/zinc/63/25/71/416632571.db2.gz GVPRCTRQHUCJGD-UHFFFAOYSA-N 1 0 324.381 0.866 20 5 DCBDRO C[C@H](C[NH3+])CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000441612396 416676363 /nfs/dbraw/zinc/67/63/63/416676363.db2.gz OWBKLPYYSSKDTG-SNVBAGLBSA-N 1 0 323.353 0.105 20 5 DCBDRO Nc1nccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000548713953 416691052 /nfs/dbraw/zinc/69/10/52/416691052.db2.gz BQJFFWQCJNFUIN-NSHDSACASA-N 1 0 319.365 1.130 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]Cc2ccccc2CO)c1 ZINC000516650866 416733550 /nfs/dbraw/zinc/73/35/50/416733550.db2.gz ITPYQMGKFINEPJ-CQSZACIVSA-N 1 0 306.322 0.434 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000516937928 416759981 /nfs/dbraw/zinc/75/99/81/416759981.db2.gz GTDGZHKZRCKHCW-ZIAGYGMSSA-N 1 0 304.350 0.647 20 5 DCBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000426972402 416792089 /nfs/dbraw/zinc/79/20/89/416792089.db2.gz GBEDECAICUGJIV-NSHDSACASA-N 1 0 310.358 0.527 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000429334278 416963548 /nfs/dbraw/zinc/96/35/48/416963548.db2.gz POFBCEZZHLOMLK-KOLCDFICSA-N 1 0 324.385 0.648 20 5 DCBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000429190523 416952812 /nfs/dbraw/zinc/95/28/12/416952812.db2.gz NZWZCIMILLIMSJ-GFCCVEGCSA-N 1 0 318.337 0.889 20 5 DCBDRO [NH3+]C[C@H]1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000430920813 417079215 /nfs/dbraw/zinc/07/92/15/417079215.db2.gz WMVKHRUTKYZERV-BXUZGUMPSA-N 1 0 304.350 0.981 20 5 DCBDRO COc1ccncc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000568502544 417145868 /nfs/dbraw/zinc/14/58/68/417145868.db2.gz VPGYMAPZGJUYGJ-GFCCVEGCSA-N 1 0 307.310 0.346 20 5 DCBDRO Cc1nc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)ncc1[N+](=O)[O-] ZINC000450222665 417211183 /nfs/dbraw/zinc/21/11/83/417211183.db2.gz FMWJEQYRJBZCQE-GFCCVEGCSA-N 1 0 309.370 1.462 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000449692505 417165466 /nfs/dbraw/zinc/16/54/66/417165466.db2.gz ARIAQZKJFJHJDZ-AWEZNQCLSA-N 1 0 306.366 0.547 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415365156 417373605 /nfs/dbraw/zinc/37/36/05/417373605.db2.gz IQZGUHLPHBDTKW-UHFFFAOYSA-N 1 0 308.338 0.821 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000415389209 417376935 /nfs/dbraw/zinc/37/69/35/417376935.db2.gz ZJGIAVUZSLLZBC-LLVKDONJSA-N 1 0 320.349 0.964 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000573503840 417472534 /nfs/dbraw/zinc/47/25/34/417472534.db2.gz RLKWQZSAUSEDLF-UHFFFAOYSA-N 1 0 311.342 0.222 20 5 DCBDRO CNc1nccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000574289431 417480050 /nfs/dbraw/zinc/48/00/50/417480050.db2.gz DGVHOKVODJGYAY-JTQLQIEISA-N 1 0 307.354 1.103 20 5 DCBDRO CC(C)(O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000575378836 417533191 /nfs/dbraw/zinc/53/31/91/417533191.db2.gz JINLFBRAICLWCZ-UHFFFAOYSA-N 1 0 302.352 0.729 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000578023422 417682644 /nfs/dbraw/zinc/68/26/44/417682644.db2.gz WSBPTWCSWALRAS-KBPBESRZSA-N 1 0 322.365 0.448 20 5 DCBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccnc(N)c1[N+](=O)[O-] ZINC000578949993 417688156 /nfs/dbraw/zinc/68/81/56/417688156.db2.gz PPQQGCBFIGTJPB-GZMMTYOYSA-N 1 0 305.338 0.785 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299147172 228963815 /nfs/dbraw/zinc/96/38/15/228963815.db2.gz WOEFGOCWLQIHCT-CHWSQXEVSA-N 1 0 307.354 0.924 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299483312 229145579 /nfs/dbraw/zinc/14/55/79/229145579.db2.gz GFZDAPCBICUGMW-OLZOCXBDSA-N 1 0 320.349 0.500 20 5 DCBDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354224168 261192592 /nfs/dbraw/zinc/19/25/92/261192592.db2.gz VVAWYBJJHIYGRH-YUSALJHKSA-N 1 0 323.353 0.642 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000363391783 262113062 /nfs/dbraw/zinc/11/30/62/262113062.db2.gz YZCZBMKBMMQNEX-NSHDSACASA-N 1 0 307.354 0.924 20 5 DCBDRO O=C(CC[NH+]1[C@@H](CO)CC[C@@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000411729759 262175295 /nfs/dbraw/zinc/17/52/95/262175295.db2.gz GHQIICOZHNSHOF-ZIAGYGMSSA-N 1 0 323.349 0.741 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000417184145 262247403 /nfs/dbraw/zinc/24/74/03/262247403.db2.gz QTLRYQQCLDMNTO-GFCCVEGCSA-N 1 0 324.337 0.391 20 5 DCBDRO O=C(NCCc1ccc([N+](=O)[O-])cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417236078 262248423 /nfs/dbraw/zinc/24/84/23/262248423.db2.gz STVWLORIRDKLJN-BETUJISGSA-N 1 0 304.350 0.998 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417907667 262264652 /nfs/dbraw/zinc/26/46/52/262264652.db2.gz HGWAWSCVEXHGNI-QWHCGFSZSA-N 1 0 322.369 0.479 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)NCCc2cccc([N+](=O)[O-])c2)CCO1 ZINC000417953833 262266042 /nfs/dbraw/zinc/26/60/42/262266042.db2.gz ZPAASTMCFACZIV-CYBMUJFWSA-N 1 0 308.338 0.506 20 5 DCBDRO C[C@@H](CC[NH3+])NC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418522551 262280668 /nfs/dbraw/zinc/28/06/68/262280668.db2.gz JLAJTDJIWVJRNH-NSHDSACASA-N 1 0 322.369 0.559 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000418792246 262290207 /nfs/dbraw/zinc/29/02/07/262290207.db2.gz ZQYDAOKXEJQFFC-VHSXEESVSA-N 1 0 308.338 0.483 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1[N+](=O)[O-] ZINC000419158784 262314845 /nfs/dbraw/zinc/31/48/45/262314845.db2.gz YGENEMSMMAHIMZ-SCVCMEIPSA-N 1 0 320.349 0.578 20 5 DCBDRO COC(=O)c1cnc(NC[C@H]2C[NH2+]CCN2C)c([N+](=O)[O-])c1 ZINC000420263208 262368278 /nfs/dbraw/zinc/36/82/78/262368278.db2.gz BOZSABMGEFNUBI-SNVBAGLBSA-N 1 0 309.326 0.092 20 5 DCBDRO O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000420398529 262372996 /nfs/dbraw/zinc/37/29/96/262372996.db2.gz ANAWFDDHBCKOJT-LBPRGKRZSA-N 1 0 313.379 0.809 20 5 DCBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCCO[C@@H](C[NH3+])C1 ZINC000420393750 262373253 /nfs/dbraw/zinc/37/32/53/262373253.db2.gz QYDAZZDQOHLVMQ-RISCZKNCSA-N 1 0 322.365 0.971 20 5 DCBDRO [NH3+]C[C@H]1CCCN1S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420465114 262374391 /nfs/dbraw/zinc/37/43/91/262374391.db2.gz VFPMKMXKNNMYTG-CYBMUJFWSA-N 1 0 313.379 0.890 20 5 DCBDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCn2cc([N+](=O)[O-])cn2)cnn1C ZINC000431949570 262638755 /nfs/dbraw/zinc/63/87/55/262638755.db2.gz JBHOHWLWARYVOE-UONOGXRCSA-N 1 0 320.353 0.953 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H](CO)c2cccc(F)c2)c1 ZINC000359626790 271133689 /nfs/dbraw/zinc/13/36/89/271133689.db2.gz RLWFQHFQHLXNTB-KGLIPLIRSA-N 1 0 324.312 0.615 20 5 DCBDRO C[C@H]1CN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C[C@H]1[NH3+] ZINC000419042004 271269420 /nfs/dbraw/zinc/26/94/20/271269420.db2.gz OPXRCCGQJFHIDH-CMPLNLGQSA-N 1 0 320.349 0.059 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419945488 271348160 /nfs/dbraw/zinc/34/81/60/271348160.db2.gz SMRNJIIPVZBLHP-JTQLQIEISA-N 1 0 320.349 0.191 20 5 DCBDRO C[C@@H]1CN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000420233781 271366526 /nfs/dbraw/zinc/36/65/26/271366526.db2.gz FTKVZHXWQXIWKU-SSDOTTSWSA-N 1 0 305.381 0.858 20 5 DCBDRO C[C@@H]([NH3+])CCNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429032751 271444232 /nfs/dbraw/zinc/44/42/32/271444232.db2.gz YNUFZDDISJOUQS-SECBINFHSA-N 1 0 309.322 0.762 20 5 DCBDRO COc1ccc(OCC[NH2+][C@H]2COC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000459825709 272013392 /nfs/dbraw/zinc/01/33/92/272013392.db2.gz LIIORKLJHRHFEY-SMDDNHRTSA-N 1 0 312.322 0.986 20 5 DCBDRO CC[NH+](CC)C[C@H](C)NC(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000490348377 272074205 /nfs/dbraw/zinc/07/42/05/272074205.db2.gz ZHEQQCTWKZIOCL-NSHDSACASA-N 1 0 312.374 0.821 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000514597552 272399912 /nfs/dbraw/zinc/39/99/12/272399912.db2.gz XMZIERAERVPFJL-SSDOTTSWSA-N 1 0 309.248 0.496 20 5 DCBDRO CNC(=O)c1ccc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000153154282 277259489 /nfs/dbraw/zinc/25/94/89/277259489.db2.gz FMFXIHFFJDCXIH-UONOGXRCSA-N 1 0 320.349 0.474 20 5 DCBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CNCCO1 ZINC000423527497 279247029 /nfs/dbraw/zinc/24/70/29/279247029.db2.gz RMTKBEPNNRLVFH-BXUZGUMPSA-N 1 0 322.365 0.890 20 5 DCBDRO C[C@H](CO)[N@@H+]1CCCN(c2cccc(C(N)=O)c2[N+](=O)[O-])CC1 ZINC000343206613 279360377 /nfs/dbraw/zinc/36/03/77/279360377.db2.gz OEMZBYYOPYDWLG-LLVKDONJSA-N 1 0 322.365 0.587 20 5 DCBDRO Cc1ccc(NCCCNC(=O)NC2C[NH2+]C2)c([N+](=O)[O-])c1 ZINC000562804425 288598662 /nfs/dbraw/zinc/59/86/62/288598662.db2.gz HKAYXKTXAWYBSO-UHFFFAOYSA-N 1 0 307.354 0.976 20 5 DCBDRO C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000563530186 288683112 /nfs/dbraw/zinc/68/31/12/288683112.db2.gz CUOTYRUWSNHSLF-OIAVYIFSSA-N 1 0 316.379 0.691 20 5 DCBDRO CNC(=O)C[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000564444353 288744182 /nfs/dbraw/zinc/74/41/82/288744182.db2.gz RNDBLMROEFRUCH-MNOVXSKESA-N 1 0 311.338 0.449 20 5 DCBDRO C[C@@H]1CCCN(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000565342075 288845167 /nfs/dbraw/zinc/84/51/67/288845167.db2.gz FGUVTHNIEIVBDC-OCCSQVGLSA-N 1 0 311.386 0.474 20 5 DCBDRO Cc1ccnc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1[N+](=O)[O-] ZINC000262379399 292769779 /nfs/dbraw/zinc/76/97/79/292769779.db2.gz YMCRHZABRLVXFT-LLVKDONJSA-N 1 0 307.354 0.590 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000274714597 295260278 /nfs/dbraw/zinc/26/02/78/295260278.db2.gz AEALGRJTNJJFAJ-SECBINFHSA-N 1 0 323.305 0.166 20 5 DCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000582241843 336391116 /nfs/dbraw/zinc/39/11/16/336391116.db2.gz LZOGUJNHHYJIAD-MNOVXSKESA-N 1 0 322.365 0.496 20 5 DCBDRO C[C@H]1CC2(CN1C(=O)Cn1cc([N+](=O)[O-])cn1)CC[NH2+]CC2 ZINC000582839989 337207701 /nfs/dbraw/zinc/20/77/01/337207701.db2.gz RHBZFZBQYQZTQN-NSHDSACASA-N 1 0 307.354 0.782 20 5 DCBDRO [NH3+][C@@H]1C[C@H]2CN(c3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000583154826 337247340 /nfs/dbraw/zinc/24/73/40/337247340.db2.gz IIPXXDNJZNXGPC-VHSXEESVSA-N 1 0 310.741 0.996 20 5 DCBDRO CC[NH2+]CCCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000036299402 337352807 /nfs/dbraw/zinc/35/28/07/337352807.db2.gz XRMNJCAFAIWXMP-UHFFFAOYSA-N 1 0 317.367 0.881 20 5 DCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000302137028 534449468 /nfs/dbraw/zinc/44/94/68/534449468.db2.gz BRFGOZOIENPFLY-JTQLQIEISA-N 1 0 308.342 0.384 20 5 DCBDRO COCC[NH2+]CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000237326265 523939047 /nfs/dbraw/zinc/93/90/47/523939047.db2.gz RBNZLKIWYQTMHJ-UHFFFAOYSA-N 1 0 307.310 0.437 20 5 DCBDRO C[NH+](C)C1(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CCCC1 ZINC000269068015 524036377 /nfs/dbraw/zinc/03/63/77/524036377.db2.gz XXNNGMDPWJFYTH-UHFFFAOYSA-N 1 0 324.385 0.965 20 5 DCBDRO COCCO[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000189706829 524037314 /nfs/dbraw/zinc/03/73/14/524037314.db2.gz OZKKGIRRAQYAFY-ZDUSSCGKSA-N 1 0 311.338 0.494 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCCCC[NH3+] ZINC000237621282 525232888 /nfs/dbraw/zinc/23/28/88/525232888.db2.gz OLKIUAWRGASPHB-JTQLQIEISA-N 1 0 308.338 0.568 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCC[NH+](C)C ZINC000181023173 526055802 /nfs/dbraw/zinc/05/58/02/526055802.db2.gz AJFDHZXRWQLZJO-UHFFFAOYSA-N 1 0 308.338 0.828 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266900106 527416108 /nfs/dbraw/zinc/41/61/08/527416108.db2.gz GIWUYIDPHPDPNI-DGCLKSJQSA-N 1 0 320.353 0.755 20 5 DCBDRO Nc1nc(N2CC[NH+](C3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000267023663 527556309 /nfs/dbraw/zinc/55/63/09/527556309.db2.gz JJKFVWATUOMYOE-UHFFFAOYSA-N 1 0 308.342 0.268 20 5 DCBDRO C[NH+](C)[C@@H](CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-])C1CC1 ZINC000821581834 606708143 /nfs/dbraw/zinc/70/81/43/606708143.db2.gz VWWYJYWNQHEKKA-JTQLQIEISA-N 1 0 318.341 0.922 20 5 DCBDRO CC[N@H+]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821240286 606731857 /nfs/dbraw/zinc/73/18/57/606731857.db2.gz FYOUBBLLEFINDW-KWQFWETISA-N 1 0 318.341 0.922 20 5 DCBDRO C[NH+](C)C(C)(C)CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821579947 607162782 /nfs/dbraw/zinc/16/27/82/607162782.db2.gz SYTZYZWZIHDQPM-UHFFFAOYSA-N 1 0 306.330 0.922 20 5 DCBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000158646987 658537038 /nfs/dbraw/zinc/53/70/38/658537038.db2.gz NAKFWKGXXSENEO-YPMHNXCESA-N 1 0 314.363 0.795 20 5 DCBDRO COc1cccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1 ZINC001022064120 658816702 /nfs/dbraw/zinc/81/67/02/658816702.db2.gz XBAVMNPEAPISRG-YVECIDJPSA-N 1 0 320.349 0.492 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000933437298 658889966 /nfs/dbraw/zinc/88/99/66/658889966.db2.gz ZYTUUWKSFJZDPA-ZYHUDNBSSA-N 1 0 309.370 0.898 20 5 DCBDRO COc1ccc(S(=O)(=O)N(C)C[C@@H](C)[NH3+])c([N+](=O)[O-])c1 ZINC000312353377 659259459 /nfs/dbraw/zinc/25/94/59/659259459.db2.gz IKNPXIJSNHKKIE-MRVPVSSYSA-N 1 0 303.340 0.571 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccsc3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776600 659556670 /nfs/dbraw/zinc/55/66/70/659556670.db2.gz CHWBBQRXEHCRJK-LBELIVKGSA-N 1 0 307.375 0.960 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896580131 662295464 /nfs/dbraw/zinc/29/54/64/662295464.db2.gz KOFGWRVIINSSHR-FZMZJTMJSA-N 1 0 306.366 0.959 20 5 DCBDRO CN(CC(=O)NCC[N@H+](C)CCO)c1ccccc1[N+](=O)[O-] ZINC000899734463 663188033 /nfs/dbraw/zinc/18/80/33/663188033.db2.gz HFIMQBKBWRRYFV-UHFFFAOYSA-N 1 0 310.354 0.071 20 5 DCBDRO CN(C)S(=O)(=O)Cc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905520667 663562979 /nfs/dbraw/zinc/56/29/79/663562979.db2.gz NZUYAJQFMUEEGO-UHFFFAOYSA-N 1 0 301.368 0.444 20 5 DCBDRO O=C([C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1)N1CC[NH2+]CC1 ZINC000911647043 664097999 /nfs/dbraw/zinc/09/79/99/664097999.db2.gz MTRNBLPTVFRGHJ-CYBMUJFWSA-N 1 0 304.306 0.520 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNc1nc2ccccn2c1[N+](=O)[O-] ZINC000732049794 664898814 /nfs/dbraw/zinc/89/88/14/664898814.db2.gz ABKQDLHABHFOFY-LLVKDONJSA-N 1 0 304.354 0.900 20 5 DCBDRO O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)OCC[NH+]1CCC1 ZINC000861385438 666924091 /nfs/dbraw/zinc/92/40/91/666924091.db2.gz SIZFDNCXJBMZFQ-UHFFFAOYSA-N 1 0 321.333 0.964 20 5 DCBDRO O=C1OC[C@@]2(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)COCCN12 ZINC000865768207 667344710 /nfs/dbraw/zinc/34/47/10/667344710.db2.gz DYSGBHMZMDAYPJ-CQSZACIVSA-N 1 0 307.306 0.906 20 5 DCBDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000886590963 667779876 /nfs/dbraw/zinc/77/98/76/667779876.db2.gz ICWOGHWTIHTWFD-GFCCVEGCSA-N 1 0 309.370 0.980 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCS(=O)(=O)C2)c1 ZINC000749648261 667959606 /nfs/dbraw/zinc/95/96/06/667959606.db2.gz RXLQGBVTJBEZRR-ZYHUDNBSSA-N 1 0 300.336 0.405 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000756817971 668101514 /nfs/dbraw/zinc/10/15/14/668101514.db2.gz JEYHYOJVSXJSNA-QWRGUYRKSA-N 1 0 323.353 0.404 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000925416684 668313322 /nfs/dbraw/zinc/31/33/22/668313322.db2.gz LHZIZZWVOILRAD-GFCCVEGCSA-N 1 0 322.369 0.842 20 5 DCBDRO COC(=O)C[C@]1([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000767032056 668556748 /nfs/dbraw/zinc/55/67/48/668556748.db2.gz PQSFLWJAOKLQDW-DZGCQCFKSA-N 1 0 324.333 0.940 20 5 DCBDRO COC(=O)C[C@]1([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCOC1 ZINC000767032060 668556955 /nfs/dbraw/zinc/55/69/55/668556955.db2.gz PQSFLWJAOKLQDW-UKRRQHHQSA-N 1 0 324.333 0.940 20 5 DCBDRO O=C(C[NH2+][C@@H](CO)C1CC1)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000771800962 668751910 /nfs/dbraw/zinc/75/19/10/668751910.db2.gz HNMRHEOPCUOEOP-JTQLQIEISA-N 1 0 323.305 0.623 20 5 DCBDRO CS(=O)(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774155785 668824609 /nfs/dbraw/zinc/82/46/09/668824609.db2.gz DDLQAYMDSXOKBT-MNOVXSKESA-N 1 0 316.383 0.909 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000930874168 669098389 /nfs/dbraw/zinc/09/83/89/669098389.db2.gz FDYQAOSOKPPRMJ-PWSUYJOCSA-N 1 0 305.338 0.888 20 5 DCBDRO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000880131192 669163332 /nfs/dbraw/zinc/16/33/32/669163332.db2.gz IBQOXTKYINJHHK-MELADBBJSA-N 1 0 309.370 0.321 20 5 DCBDRO C[N@@H+]1CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1CO ZINC000931406835 669194741 /nfs/dbraw/zinc/19/47/41/669194741.db2.gz RKOUOBASEHAMPR-AWEZNQCLSA-N 1 0 322.365 0.532 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](CCCCCO)CC2)c1 ZINC000931497422 669213097 /nfs/dbraw/zinc/21/30/97/669213097.db2.gz QPBKVDZKYCUVHL-UHFFFAOYSA-N 1 0 311.386 0.572 20 5 DCBDRO C[NH+](C)C[C@@H](O)CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000786767307 669328977 /nfs/dbraw/zinc/32/89/77/669328977.db2.gz WMAYGHSRAKFKQD-JTQLQIEISA-N 1 0 317.367 0.333 20 5 DCBDRO Nc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1[N+](=O)[O-] ZINC000808157408 670393221 /nfs/dbraw/zinc/39/32/21/670393221.db2.gz WKTJCWHRKVVIGI-VXGBXAGGSA-N 1 0 320.349 0.458 20 5 DCBDRO Cc1cc(F)cc(C(=O)NCC(=O)N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000818561639 671031215 /nfs/dbraw/zinc/03/12/15/671031215.db2.gz HJRBGJPWJYRTFI-UHFFFAOYSA-N 1 0 324.312 0.204 20 5 DCBDRO O=C1CNC(=O)N1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819040374 671087912 /nfs/dbraw/zinc/08/79/12/671087912.db2.gz JUYIHQWKKMDOJT-GFCCVEGCSA-N 1 0 322.321 0.160 20 5 DCBDRO CCNS(=O)(=O)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819041643 671088282 /nfs/dbraw/zinc/08/82/82/671088282.db2.gz BESZYIFARFNTTM-GFCCVEGCSA-N 1 0 317.367 0.157 20 5 DCBDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819066184 671090888 /nfs/dbraw/zinc/09/08/88/671090888.db2.gz ZNMRGMGGIINZKE-CABZTGNLSA-N 1 0 302.352 0.651 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1[NH2+]CC12CCOCC2 ZINC000852797506 671161360 /nfs/dbraw/zinc/16/13/60/671161360.db2.gz VFQUYSWISVFFAQ-CYBMUJFWSA-N 1 0 305.334 0.980 20 5 DCBDRO [NH3+]C[C@@H]1CC(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)=NO1 ZINC000852891124 671188060 /nfs/dbraw/zinc/18/80/60/671188060.db2.gz YTIWSGLATIMSJO-JTQLQIEISA-N 1 0 322.325 0.058 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000820342414 671193889 /nfs/dbraw/zinc/19/38/89/671193889.db2.gz MNSVDGICNJUOQZ-CQSZACIVSA-N 1 0 307.354 0.654 20 5 DCBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1 ZINC000853651429 671255920 /nfs/dbraw/zinc/25/59/20/671255920.db2.gz DEEOUZOOXNYGMQ-UHFFFAOYSA-N 1 0 313.379 0.996 20 5 DCBDRO C[NH+](C)CCN1CCN(C(=O)CCC(C)(C)[N+](=O)[O-])CC1 ZINC000822235834 671310383 /nfs/dbraw/zinc/31/03/83/671310383.db2.gz YSJZWHHGDZIGMV-UHFFFAOYSA-N 1 0 300.403 0.528 20 5 DCBDRO CC(C)(CCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[N+](=O)[O-] ZINC000823152258 671372497 /nfs/dbraw/zinc/37/24/97/671372497.db2.gz OUYONSOEUSNECI-CHWSQXEVSA-N 1 0 313.398 0.880 20 5 DCBDRO O=[N+]([O-])c1ccc(OCc2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823347017 671388219 /nfs/dbraw/zinc/38/82/19/671388219.db2.gz MZQAAAQLMIVJRM-UHFFFAOYSA-N 1 0 305.294 0.966 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000827278655 671521039 /nfs/dbraw/zinc/52/10/39/671521039.db2.gz XPSISBSLAUWGLJ-ONGXEEELSA-N 1 0 306.322 0.862 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)CC[C@H]21 ZINC000827330235 671523333 /nfs/dbraw/zinc/52/33/33/671523333.db2.gz KYPDUMKZRPHCJI-WCQYABFASA-N 1 0 307.354 0.734 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CCO1 ZINC000834322070 671754799 /nfs/dbraw/zinc/75/47/99/671754799.db2.gz OREOXXFNXOQOKI-PRHODGIISA-N 1 0 324.293 0.691 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC000841163205 671916388 /nfs/dbraw/zinc/91/63/88/671916388.db2.gz BMCKSESQPGDMER-ZETCQYMHSA-N 1 0 312.301 0.834 20 5 DCBDRO C[NH+](C)C1(CNC(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000841452749 671933261 /nfs/dbraw/zinc/93/32/61/671933261.db2.gz GOIBHPKVYMVNIP-UHFFFAOYSA-N 1 0 321.333 0.997 20 5 DCBDRO [NH3+]C1CC2(C1)CC(NS(=O)(=O)c1cccnc1[N+](=O)[O-])C2 ZINC000842795341 672037822 /nfs/dbraw/zinc/03/78/22/672037822.db2.gz MZYSFWRQPMMXED-UHFFFAOYSA-N 1 0 312.351 0.538 20 5 DCBDRO CN(C1C[NH2+]C1)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842866460 672043629 /nfs/dbraw/zinc/04/36/29/672043629.db2.gz ASOAVVPQQYSLFW-UHFFFAOYSA-N 1 0 305.743 0.841 20 5 DCBDRO Cn1cc([C@H](O)C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000843091123 672060708 /nfs/dbraw/zinc/06/07/08/672060708.db2.gz GGMYAEWQJOEJQT-ZIAGYGMSSA-N 1 0 306.322 0.685 20 5 DCBDRO O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cc([N+](=O)[O-])n[nH]1 ZINC000843456224 672098700 /nfs/dbraw/zinc/09/87/00/672098700.db2.gz FOEBGMYTCDUUQZ-UHFFFAOYSA-N 1 0 305.298 0.691 20 5 DCBDRO C[NH+](C)CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1=O ZINC000845630517 672267985 /nfs/dbraw/zinc/26/79/85/672267985.db2.gz JYVFWFBJOBYIRM-UHFFFAOYSA-N 1 0 310.329 0.944 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)C(C)(F)F)C1 ZINC001019931077 693622858 /nfs/dbraw/zinc/62/28/58/693622858.db2.gz APUKGUPRZYXWSO-ZKCHVHJHSA-N 1 0 317.296 0.720 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001020181418 693725478 /nfs/dbraw/zinc/72/54/78/693725478.db2.gz DDUZJLSCYGXROF-XYPYZODXSA-N 1 0 318.337 0.707 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC2(C1)CC[N@H+](Cc1cncs1)C2 ZINC001072725233 694657241 /nfs/dbraw/zinc/65/72/41/694657241.db2.gz KTCAGAGTLZZYFT-VXGBXAGGSA-N 1 0 322.390 0.843 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001304661881 1159155550 /nfs/dbraw/zinc/15/55/50/1159155550.db2.gz PHSNCWODUNSHFM-OLZOCXBDSA-N 1 0 308.338 0.594 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH2+]CCO)C1 ZINC001522218450 1159786858 /nfs/dbraw/zinc/78/68/58/1159786858.db2.gz UJEOJOQIFMENBC-ZDUSSCGKSA-N 1 0 307.350 0.710 20 5 DCBDRO Cc1ncc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001570196644 1161486865 /nfs/dbraw/zinc/48/68/65/1161486865.db2.gz NBDOPHJWBRGNQI-ZIAGYGMSSA-N 1 0 321.381 0.731 20 5 DCBDRO C[C@]1(CNC(=O)CCNc2ccccc2[N+](=O)[O-])C[NH2+]CCO1 ZINC001576509968 1164370771 /nfs/dbraw/zinc/37/07/71/1164370771.db2.gz PGCUCDBBAOLQDO-OAHLLOKOSA-N 1 0 322.365 0.892 20 5 DCBDRO CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001577175783 1164620017 /nfs/dbraw/zinc/62/00/17/1164620017.db2.gz HTOSGJKFXMXCDH-GARJFASQSA-N 1 0 322.369 0.400 20 5 DCBDRO Cc1ccc([C@@H](C)NC(=O)NCC2(O)C[NH2+]C2)cc1[N+](=O)[O-] ZINC001579667029 1165373530 /nfs/dbraw/zinc/37/35/30/1165373530.db2.gz GGASHDAMRPDBCE-SNVBAGLBSA-N 1 0 308.338 0.598 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2O)cc1[N+](=O)[O-] ZINC001579667928 1165374046 /nfs/dbraw/zinc/37/40/46/1165374046.db2.gz YFCXPPQDJMPCMN-SUHUHFCYSA-N 1 0 322.365 0.986 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C1CCC1)C1C[NH2+]C1 ZINC001579868699 1165417027 /nfs/dbraw/zinc/41/70/27/1165417027.db2.gz IZELIDFJCQGXCL-UHFFFAOYSA-N 1 0 307.354 0.843 20 5 DCBDRO [NH3+]CCCn1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)nn1 ZINC001580306176 1165564715 /nfs/dbraw/zinc/56/47/15/1165564715.db2.gz BURCVLDZKSMYST-UHFFFAOYSA-N 1 0 316.321 0.738 20 5 DCBDRO O=C(C[C@H]1COCC[NH2+]1)NCc1cc([N+](=O)[O-])c(F)cc1F ZINC001580517221 1165628130 /nfs/dbraw/zinc/62/81/30/1165628130.db2.gz IPEYOTYPQKCJNQ-VIFPVBQESA-N 1 0 315.276 0.868 20 5 DCBDRO O=C(NC[C@@]1(O)CC[NH2+]C1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC001580636500 1165669273 /nfs/dbraw/zinc/66/92/73/1165669273.db2.gz KPAXYJQLFLGWTC-OAHLLOKOSA-N 1 0 316.317 0.597 20 5 DCBDRO O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001580746417 1165707216 /nfs/dbraw/zinc/70/72/16/1165707216.db2.gz CZTGCWAPCUDJST-BXUZGUMPSA-N 1 0 320.349 0.258 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001580753315 1165710762 /nfs/dbraw/zinc/71/07/62/1165710762.db2.gz XBOVKFRXWNNELD-VIFPVBQESA-N 1 0 307.306 0.848 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC001585180528 1166408032 /nfs/dbraw/zinc/40/80/32/1166408032.db2.gz IYKKBRIFXUHWPD-LBPRGKRZSA-N 1 0 323.353 0.161 20 5 DCBDRO O=Cc1ccc(OCC(=O)NC23CC[NH+](CC2)C3)c([N+](=O)[O-])c1 ZINC001587191939 1166505293 /nfs/dbraw/zinc/50/52/93/1166505293.db2.gz MMIYLAMRWXCNLU-UHFFFAOYSA-N 1 0 319.317 0.751 20 5 DCBDRO CN(CC1C[NH+](C)C1)c1ccc(-c2nn[nH]n2)c([N+](=O)[O-])c1 ZINC001591168573 1167121766 /nfs/dbraw/zinc/12/17/66/1167121766.db2.gz PRBLIHONSCYYIR-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2nn[nH]n2)c1 ZINC001593475955 1167864535 /nfs/dbraw/zinc/86/45/35/1167864535.db2.gz HIIFVDJXNUQKQL-DTORHVGOSA-N 1 0 301.310 0.431 20 5 DCBDRO CCOc1ccc(C(=O)NCC[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC001596048343 1167986624 /nfs/dbraw/zinc/98/66/24/1167986624.db2.gz XFYFDRSWGGUFEN-UHFFFAOYSA-N 1 0 311.338 0.647 20 5 DCBDRO Nc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001597700909 1168011685 /nfs/dbraw/zinc/01/16/85/1168011685.db2.gz LXAKQRQTWQHQJP-SECBINFHSA-N 1 0 306.322 0.380 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1-c1nn[nH]n1 ZINC001604855356 1169710478 /nfs/dbraw/zinc/71/04/78/1169710478.db2.gz FJLLGZCZWBAGCM-SSDOTTSWSA-N 1 0 304.314 0.473 20 5 DCBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)CC1 ZINC001604867309 1169720421 /nfs/dbraw/zinc/72/04/21/1169720421.db2.gz YGCSTHNENASFLR-UHFFFAOYSA-N 1 0 304.314 0.109 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001607079144 1170381973 /nfs/dbraw/zinc/38/19/73/1170381973.db2.gz KETUEEYANRFQDT-NXEZZACHSA-N 1 0 301.310 0.431 20 5 DCBDRO C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC001609278604 1170909861 /nfs/dbraw/zinc/90/98/61/1170909861.db2.gz QAXVCVYNJKUFQB-ZDUSSCGKSA-N 1 0 318.337 0.978 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC001629833623 1171559612 /nfs/dbraw/zinc/55/96/12/1171559612.db2.gz FVMDJCNVJQQXGF-ZFWWWQNUSA-N 1 0 322.365 0.578 20 5 DCBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001638353479 1171795197 /nfs/dbraw/zinc/79/51/97/1171795197.db2.gz QWDHTZJZQOFTAG-LLVKDONJSA-N 1 0 308.338 0.167 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001643802583 1171986268 /nfs/dbraw/zinc/98/62/68/1171986268.db2.gz BAQNEUPHHAPKCX-NWDGAFQWSA-N 1 0 320.349 0.458 20 5 DCBDRO O=C(c1csc([N+](=O)[O-])c1)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001643802950 1171986725 /nfs/dbraw/zinc/98/67/25/1171986725.db2.gz JLVPRWQDPYNJDE-WDEREUQCSA-N 1 0 311.363 0.937 20 5 DCBDRO CN(C)c1cc[nH+]c(CNC(=O)c2cnc(N)c([N+](=O)[O-])c2)c1 ZINC001644817081 1172022649 /nfs/dbraw/zinc/02/26/49/1172022649.db2.gz XMYRDNOSYOMDRG-UHFFFAOYSA-N 1 0 316.321 0.963 20 5 DCBDRO C[NH+](C)CC[C@H]1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC001645128304 1172029874 /nfs/dbraw/zinc/02/98/74/1172029874.db2.gz FKVHJHWVHLFJDY-LBPRGKRZSA-N 1 0 309.370 0.982 20 5 DCBDRO O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001645425203 1172041525 /nfs/dbraw/zinc/04/15/25/1172041525.db2.gz DAGWDPICFHDRGL-LBPRGKRZSA-N 1 0 323.324 0.866 20 5 DCBDRO C[C@@H](O)C[N@H+](C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC001646398624 1172364471 /nfs/dbraw/zinc/36/44/71/1172364471.db2.gz IWVHHARKRMPKTN-SNVBAGLBSA-N 1 0 317.367 0.186 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001647869078 1173059980 /nfs/dbraw/zinc/05/99/80/1173059980.db2.gz YQNZUOROALQWEL-CHWSQXEVSA-N 1 0 311.382 0.491 20 5 DCBDRO C[NH+]1C[C@@]2(C)CN(c3nccc(C(N)=O)c3[N+](=O)[O-])C[C@]2(C)C1 ZINC001651301469 1173745683 /nfs/dbraw/zinc/74/56/83/1173745683.db2.gz HNTOPHQAGQXNJC-GJZGRUSLSA-N 1 0 319.365 0.867 20 5 DCBDRO C[NH+](C)CC[C@@H]1CCN(c2nccc(C(N)=O)c2[N+](=O)[O-])C1 ZINC001652231643 1173765004 /nfs/dbraw/zinc/76/50/04/1173765004.db2.gz WOMTXQWFVIIBEJ-SNVBAGLBSA-N 1 0 307.354 0.867 20 5 DCBDRO Nc1nc(N2CCC[C@H]([NH2+]C3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC001652186543 1173765013 /nfs/dbraw/zinc/76/50/13/1173765013.db2.gz YPAJCJCJOMXLMN-NSHDSACASA-N 1 0 322.369 0.704 20 5 DCBDRO O=C(CC[N@@H+]1CC[C@H](O)[C@@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751546 1173811433 /nfs/dbraw/zinc/81/14/33/1173811433.db2.gz GYTXXNIGLPBRCI-RISCZKNCSA-N 1 0 323.349 0.599 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC001671789288 1175036910 /nfs/dbraw/zinc/03/69/10/1175036910.db2.gz JVKILHHBQIMHIE-UHFFFAOYSA-N 1 0 300.290 0.780 20 5 DCBDRO C[C@@H]1CC[N@H+](CCNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC001678816556 1175680056 /nfs/dbraw/zinc/68/00/56/1175680056.db2.gz HGGGCXGZDGZDMU-LLVKDONJSA-N 1 0 310.358 0.432 20 5 DCBDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001680738199 1175845607 /nfs/dbraw/zinc/84/56/07/1175845607.db2.gz ZMGKZBQFPTUPCY-JTQLQIEISA-N 1 0 321.337 0.909 20 5 DCBDRO Cc1ncsc1CC[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699257360 1177995903 /nfs/dbraw/zinc/99/59/03/1177995903.db2.gz NXPQWUVJOSAQLJ-JGLYPNHGSA-N 1 0 324.406 0.921 20 5 DCBDRO CN(C)c1cc(C[N@H+](C)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC001713451618 1180831498 /nfs/dbraw/zinc/83/14/98/1180831498.db2.gz LYXQGHFPYJUHTG-CHWSQXEVSA-N 1 0 321.381 0.361 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccco1 ZINC001731887257 1185548527 /nfs/dbraw/zinc/54/85/27/1185548527.db2.gz MXSMVJLZUXPPLG-UHFFFAOYSA-N 1 0 307.310 0.783 20 5 DCBDRO Cc1ccccc1C[NH2+]CCN(CCO)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733614956 1186368441 /nfs/dbraw/zinc/36/84/41/1186368441.db2.gz AFNSBOKVLJGBMN-HUUCEWRRSA-N 1 0 321.377 0.571 20 5 DCBDRO CCOC(=O)c1cnc(-n2ccc(CC[NH3+])n2)c([N+](=O)[O-])c1 ZINC001167726632 747913501 /nfs/dbraw/zinc/91/35/01/747913501.db2.gz IHRKITIHHRLJEP-UHFFFAOYSA-N 1 0 305.294 0.853 20 5 DCBDRO Cn1c(=O)cc(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)n(C)c1=O ZINC001167773137 748176511 /nfs/dbraw/zinc/17/65/11/748176511.db2.gz WPXZZIWETDQQMX-UHFFFAOYSA-N 1 0 317.305 0.339 20 5 DCBDRO [NH3+]Cc1cnn(-c2cc([N+](=O)[O-])cc(Br)[n+]2[O-])c1 ZINC001168262159 749672470 /nfs/dbraw/zinc/67/24/70/749672470.db2.gz ODMBXAWKAFWKMB-UHFFFAOYSA-N 1 0 314.099 0.635 20 5 DCBDRO Cc1ccc(OCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1 ZINC001126942577 750154576 /nfs/dbraw/zinc/15/45/76/750154576.db2.gz BRPFGBWNRRAJHU-ZIAGYGMSSA-N 1 0 307.350 0.745 20 5 DCBDRO COC(=O)c1cc(C)nc(-n2ccnc2C(N)=[NH2+])c1[N+](=O)[O-] ZINC001168415741 750701039 /nfs/dbraw/zinc/70/10/39/750701039.db2.gz MMWYMHXWFGZEJD-UHFFFAOYSA-N 1 0 304.266 0.555 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1ccnc1C(N)=[NH2+] ZINC001168416551 750708151 /nfs/dbraw/zinc/70/81/51/750708151.db2.gz VPJXLOWJRRYNFM-UHFFFAOYSA-N 1 0 304.266 0.555 20 5 DCBDRO O=C(Cn1nccn1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001128269889 753500067 /nfs/dbraw/zinc/50/00/67/753500067.db2.gz VVTBTZRUQWENAE-UHFFFAOYSA-N 1 0 304.310 0.092 20 5 DCBDRO COc1nc(C)c(NC(=[NH2+])N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC001168737472 753999314 /nfs/dbraw/zinc/99/93/14/753999314.db2.gz YVBGORCFWWKLNI-UHFFFAOYSA-N 1 0 308.342 0.901 20 5 DCBDRO O=C(NCc1ccc2c(c1)C[N@H+](CCCO)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001054264473 756420554 /nfs/dbraw/zinc/42/05/54/756420554.db2.gz FQEGGAIGTANSFH-HUUCEWRRSA-N 1 0 319.361 0.666 20 5 DCBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@@H](O)[C@H](CO)C2)c([N+](=O)[O-])c1 ZINC001170334049 762612157 /nfs/dbraw/zinc/61/21/57/762612157.db2.gz AGYGMRIWDFERSY-ITDIGPHOSA-N 1 0 310.350 0.819 20 5 DCBDRO C[NH+](C)C[C@H]1COCCN1c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001154967967 759122596 /nfs/dbraw/zinc/12/25/96/759122596.db2.gz LHSLGVSRBOPXKL-JTQLQIEISA-N 1 0 311.298 0.665 20 5 DCBDRO Cn1cc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001086082804 759691453 /nfs/dbraw/zinc/69/14/53/759691453.db2.gz DODSYUNVUHKTNC-GWNIPJSYSA-N 1 0 307.354 0.070 20 5 DCBDRO Cc1ncn(-c2cc([N+](=O)[O-])c(=O)n(C)c2)c1CSCC[NH3+] ZINC001168787978 760410022 /nfs/dbraw/zinc/41/00/22/760410022.db2.gz LSMOKTCHOUHULT-UHFFFAOYSA-N 1 0 323.378 0.980 20 5 DCBDRO [NH3+][C@@H]1CCc2nn(-c3ccc([N+](=O)[O-])c4c3CNC4=O)cc2C1 ZINC001168817980 760459225 /nfs/dbraw/zinc/45/92/25/760459225.db2.gz NXRUXRZEHQPUFI-SECBINFHSA-N 1 0 313.317 0.840 20 5 DCBDRO [NH3+]Cc1cccc(S(=O)(=O)N[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978789 760528527 /nfs/dbraw/zinc/52/85/27/760528527.db2.gz UFZYBMVEQBQZKB-RYUDHWBXSA-N 1 0 313.379 0.869 20 5 DCBDRO CCOC(=O)c1ccnc(-n2ccc(C[NH3+])cc2=N)c1[N+](=O)[O-] ZINC001156853487 761514233 /nfs/dbraw/zinc/51/42/33/761514233.db2.gz RCMRPHGKBUNFSR-UHFFFAOYSA-N 1 0 317.305 0.895 20 5 DCBDRO COC(=O)[C@@H](CCC[NH3+])Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001157114713 761701040 /nfs/dbraw/zinc/70/10/40/761701040.db2.gz NIEIGWFDNXCFJR-ZCFIWIBFSA-N 1 0 303.706 0.731 20 5 DCBDRO Cc1cc(N(C)CCNC(=O)CC[NH+](C)C)ncc1[N+](=O)[O-] ZINC001100299589 763470924 /nfs/dbraw/zinc/47/09/24/763470924.db2.gz OGADBOZUOQEIOS-UHFFFAOYSA-N 1 0 309.370 0.802 20 5 DCBDRO [NH3+]Cc1nnnn1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl ZINC001158075395 763479846 /nfs/dbraw/zinc/47/98/46/763479846.db2.gz XRKCAYKBZUBNKY-UHFFFAOYSA-N 1 0 305.632 0.686 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170572069 763875213 /nfs/dbraw/zinc/87/52/13/763875213.db2.gz GPKPGOUIEJUYBX-KCJUWKMLSA-N 1 0 310.310 0.565 20 5 DCBDRO Cc1nn[nH]c1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001132209645 764302242 /nfs/dbraw/zinc/30/22/42/764302242.db2.gz KMKWKYQFNUSVED-UHFFFAOYSA-N 1 0 304.310 0.541 20 5 DCBDRO O=C(Cc1c[nH]cn1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001134407008 765508027 /nfs/dbraw/zinc/50/80/27/765508027.db2.gz MFIHHRPTCNUMNB-UHFFFAOYSA-N 1 0 303.322 0.766 20 5 DCBDRO COC(=O)Cc1ccc(N[C@@H]2C[NH2+]C[C@H]2CO)cc1[N+](=O)[O-] ZINC001170781924 765741326 /nfs/dbraw/zinc/74/13/26/765741326.db2.gz LEKRDKPJIUQPNV-CMPLNLGQSA-N 1 0 309.322 0.303 20 5 DCBDRO O=[N+]([O-])c1cc(Br)nc(N[C@H]2C[NH2+]C[C@H]2CO)c1 ZINC001170781542 765743308 /nfs/dbraw/zinc/74/33/08/765743308.db2.gz RQXRGPJRLVBCHM-XPUUQOCRSA-N 1 0 317.143 0.745 20 5 DCBDRO CN1CCc2c(N[C@@H]3C[NH2+]C[C@H]3CO)ccc([N+](=O)[O-])c2C1 ZINC001170784481 765762778 /nfs/dbraw/zinc/76/27/78/765762778.db2.gz UMJQJGPOXMYAGV-IINYFYTJSA-N 1 0 306.366 0.575 20 5 DCBDRO CC[C@]([NH3+])(CO)Nc1cc(OC)c(C(=O)OC)cc1[N+](=O)[O-] ZINC001170864274 766161489 /nfs/dbraw/zinc/16/14/89/766161489.db2.gz SMPIWSHUTXAIPR-CYBMUJFWSA-N 1 0 313.310 0.859 20 5 DCBDRO CO[C@@H](C[NH3+])CC(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001118264669 766272483 /nfs/dbraw/zinc/27/24/83/766272483.db2.gz KZTLAISFBISBJK-LLVKDONJSA-N 1 0 311.342 0.319 20 5 DCBDRO CCOC(=O)CN(CC[NH3+])c1ccc2c(n1)[nH]cc2[N+](=O)[O-] ZINC001170992887 766371415 /nfs/dbraw/zinc/37/14/15/766371415.db2.gz SECOFUHEKKWZBH-UHFFFAOYSA-N 1 0 307.310 0.799 20 5 DCBDRO CN(CC[N@H+](C)CCO)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC001119970380 766874066 /nfs/dbraw/zinc/87/40/66/766874066.db2.gz XGDLAAXDPBORMV-UHFFFAOYSA-N 1 0 305.338 0.898 20 5 DCBDRO CC(C)N1CCC[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001120511150 767051474 /nfs/dbraw/zinc/05/14/74/767051474.db2.gz GRVXYVAMNCLGBA-TZMCWYRMSA-N 1 0 311.386 0.615 20 5 DCBDRO CC(C)N1CCC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001120511148 767051948 /nfs/dbraw/zinc/05/19/48/767051948.db2.gz GRVXYVAMNCLGBA-JSGCOSHPSA-N 1 0 311.386 0.615 20 5 DCBDRO CC(C)(C)N1CC[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001120596722 767089506 /nfs/dbraw/zinc/08/95/06/767089506.db2.gz JJFXXDYYSCDDRT-AAEUAGOBSA-N 1 0 311.386 0.615 20 5 DCBDRO COc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC001121025118 767360215 /nfs/dbraw/zinc/36/02/15/767360215.db2.gz UIDDDMYEKDPXMV-SNVBAGLBSA-N 1 0 322.321 0.362 20 5 DCBDRO C[C@H]([NH3+])CONC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC001122023765 767699216 /nfs/dbraw/zinc/69/92/16/767699216.db2.gz SLBMOGXBKAAAFH-QMMMGPOBSA-N 1 0 306.282 0.184 20 5 DCBDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001122182447 767734461 /nfs/dbraw/zinc/73/44/61/767734461.db2.gz VJHHAEOVCVCCEN-VWYCJHECSA-N 1 0 308.338 0.354 20 5 DCBDRO O=C(C[NH+]1CCCC1)NCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001093652096 768671309 /nfs/dbraw/zinc/67/13/09/768671309.db2.gz FGWFEVMYNKNGFC-UHFFFAOYSA-N 1 0 309.326 0.319 20 5 DCBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(=O)N1CCOCC1 ZINC001173215381 769562185 /nfs/dbraw/zinc/56/21/85/769562185.db2.gz VVDHYOHMFKKVKU-GFCCVEGCSA-N 1 0 307.350 0.974 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccccn1 ZINC001154133313 770084557 /nfs/dbraw/zinc/08/45/57/770084557.db2.gz USMGMWUOGMQCON-UHFFFAOYSA-N 1 0 318.337 0.633 20 5 DCBDRO COc1ncnc(NCc2nnn3c2C[NH2+]CCC3)c1[N+](=O)[O-] ZINC001155393935 770489913 /nfs/dbraw/zinc/48/99/13/770489913.db2.gz KENXIFZZYDROSK-UHFFFAOYSA-N 1 0 320.313 0.090 20 5 DCBDRO Cc1nc(Cl)c([N+](=O)[O-])c(NC[C@]23C[NH2+]C[C@H]2COC3)n1 ZINC001155509945 770530646 /nfs/dbraw/zinc/53/06/46/770530646.db2.gz NDUUGGBDWDSMQT-UFBFGSQYSA-N 1 0 313.745 0.995 20 5 DCBDRO COc1cc(N(c2ncccn2)C2C[NH2+]C2)ncc1[N+](=O)[O-] ZINC001155870146 770644473 /nfs/dbraw/zinc/64/44/73/770644473.db2.gz RKIDUPWIQFYCPQ-UHFFFAOYSA-N 1 0 302.294 0.898 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)Cc1ccon1 ZINC001156001542 770683251 /nfs/dbraw/zinc/68/32/51/770683251.db2.gz STGXVVAKXFSYLC-UHFFFAOYSA-N 1 0 322.325 0.155 20 5 DCBDRO Cn1ccnc1C[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178458612 770759834 /nfs/dbraw/zinc/75/98/34/770759834.db2.gz OIMZWUYKHYCOMW-CHWSQXEVSA-N 1 0 323.397 0.852 20 5 DCBDRO Cc1ncc(C[NH3+])c(=N)n1-c1c([N+](=O)[O-])cc[n+]([O-])c1Cl ZINC001156829660 770938326 /nfs/dbraw/zinc/93/83/26/770938326.db2.gz PVMOJSHSLYWRCI-UHFFFAOYSA-N 1 0 310.701 0.314 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1-n1ccc(C[NH3+])cc1=N ZINC001156849773 770943443 /nfs/dbraw/zinc/94/34/43/770943443.db2.gz CCDQWLKJXPMXDJ-UHFFFAOYSA-N 1 0 303.278 0.505 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])cnc3N)[C@@H]2C1 ZINC001181441744 771291953 /nfs/dbraw/zinc/29/19/53/771291953.db2.gz IOAYLPBIKWAYRI-XXILOJSOSA-N 1 0 305.338 0.642 20 5 DCBDRO COc1nc(N2C[C@H]3CCC[N@H+](C)[C@H]3C2)nc(OC)c1[N+](=O)[O-] ZINC001157266829 771570940 /nfs/dbraw/zinc/57/09/40/771570940.db2.gz XUWFHFKABGSUJS-ZJUUUORDSA-N 1 0 323.353 0.932 20 5 DCBDRO O=C(NCCC[NH2+]Cc1ccncc1Cl)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001157761007 771665061 /nfs/dbraw/zinc/66/50/61/771665061.db2.gz JTKZPVFRUZXZPB-ZYHUDNBSSA-N 1 0 312.757 0.996 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(-n2cc3c(n2)CC[C@H]([NH3+])C3)n1 ZINC001157986427 771707329 /nfs/dbraw/zinc/70/73/29/771707329.db2.gz AKVPPHKSGFFRED-VIFPVBQESA-N 1 0 317.305 0.778 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cc([N+](=O)[O-])c2cc[nH]c2n1 ZINC001158206211 771741110 /nfs/dbraw/zinc/74/11/10/771741110.db2.gz CZFDNLZWVJTNRW-MRVPVSSYSA-N 1 0 302.294 0.519 20 5 DCBDRO COc1ncnc(N2CCC(N3CC[C@@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158262912 771749952 /nfs/dbraw/zinc/74/99/52/771749952.db2.gz XEKBQKNZWTZIHO-SNVBAGLBSA-N 1 0 322.369 0.395 20 5 DCBDRO O=[N+]([O-])c1cnc(NC[C@@H](O)C(F)(F)F)nc1C1C[NH2+]C1 ZINC001158544235 771787994 /nfs/dbraw/zinc/78/79/94/771787994.db2.gz ODTXSALGACOJLI-SSDOTTSWSA-N 1 0 307.232 0.407 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001158634155 771797048 /nfs/dbraw/zinc/79/70/48/771797048.db2.gz DCQHWAKDMAZNMN-HZMBPMFUSA-N 1 0 321.337 0.303 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001158634824 771797079 /nfs/dbraw/zinc/79/70/79/771797079.db2.gz HESBGVYWINIFFJ-FZMZJTMJSA-N 1 0 321.337 0.303 20 5 DCBDRO COc1ncnc(N[C@]2(C[NH3+])CN3CCC2CC3)c1[N+](=O)[O-] ZINC001160514113 772055649 /nfs/dbraw/zinc/05/56/49/772055649.db2.gz UCPRQCCCBQNGFQ-CYBMUJFWSA-N 1 0 308.342 0.228 20 5 DCBDRO [NH3+]CCN(CCNc1cc(Cl)ncc1[N+](=O)[O-])N(O)N=O ZINC001161087482 772165689 /nfs/dbraw/zinc/16/56/89/772165689.db2.gz OUWRFNGHAJHMHP-UHFFFAOYSA-N 1 0 319.709 0.603 20 5 DCBDRO Cc1nc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001161473503 772229677 /nfs/dbraw/zinc/22/96/77/772229677.db2.gz YNTANSMITSMJES-GFCCVEGCSA-N 1 0 306.370 0.931 20 5 DCBDRO C[C@H]1C[C@@H](Nc2ncnc(N3CC[NH2+]CC3)c2[N+](=O)[O-])CCO1 ZINC001161692827 772266930 /nfs/dbraw/zinc/26/69/30/772266930.db2.gz YQHHCYBDUFOZDO-QWRGUYRKSA-N 1 0 322.369 0.774 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cnc1NC[C@H]1C[NH2+]CC(C)(C)O1 ZINC001161951077 772305962 /nfs/dbraw/zinc/30/59/62/772305962.db2.gz WFKITMWPMYTUER-SNVBAGLBSA-N 1 0 324.337 0.955 20 5 DCBDRO C[C@@H](CN1CC[NH2+]CC1)Nc1ncnc(Cl)c1[N+](=O)[O-] ZINC001162090627 772324376 /nfs/dbraw/zinc/32/43/76/772324376.db2.gz SNUMKBJQUWPPPL-QMMMGPOBSA-N 1 0 300.750 0.744 20 5 DCBDRO COC(=O)[C@@H](Nc1c[n+]([O-])c(Cl)cc1[N+](=O)[O-])C(C)(C)[NH3+] ZINC001162941387 772434000 /nfs/dbraw/zinc/43/40/00/772434000.db2.gz KIMAFEXZIDWDJD-SECBINFHSA-N 1 0 318.717 0.572 20 5 DCBDRO COc1ccc(NCc2nnc3n2CCC[NH2+]C3)nc1[N+](=O)[O-] ZINC001163012134 772443474 /nfs/dbraw/zinc/44/34/74/772443474.db2.gz XIMVLXUXXJRBOY-UHFFFAOYSA-N 1 0 319.325 0.695 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(N[C@@H]2CCO[C@@]3(CC[NH2+]C3)C2)n1 ZINC001163310806 772504162 /nfs/dbraw/zinc/50/41/62/772504162.db2.gz PTQSIXZEPMANMA-RNCFNFMXSA-N 1 0 309.326 0.716 20 5 DCBDRO COc1cc2ncnc(-n3c(C)nnc3C[NH3+])c2cc1[N+](=O)[O-] ZINC001163348930 772511476 /nfs/dbraw/zinc/51/14/76/772511476.db2.gz ZAAOTWQWIKMCFH-UHFFFAOYSA-N 1 0 315.293 0.894 20 5 DCBDRO CN(Cc1ncccn1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001163927827 772593497 /nfs/dbraw/zinc/59/34/97/772593497.db2.gz AGWVAIDTYNMTPD-UHFFFAOYSA-N 1 0 301.310 0.498 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)CC[NH3+] ZINC001164296819 772640395 /nfs/dbraw/zinc/64/03/95/772640395.db2.gz QRHVRURMFBOFJM-UHFFFAOYSA-N 1 0 317.323 0.106 20 5 DCBDRO [NH3+][C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]1O ZINC001165147209 772700634 /nfs/dbraw/zinc/70/06/34/772700634.db2.gz HPGVQPDQWDEHPC-VDTYLAMSSA-N 1 0 308.672 0.696 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCOCC12C[NH2+]C2 ZINC001165285407 772717909 /nfs/dbraw/zinc/71/79/09/772717909.db2.gz BDWIYCJXYPBOJT-UHFFFAOYSA-N 1 0 301.306 0.717 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCN1c1nc(C)cc(Cl)c1[N+](=O)[O-] ZINC001165436493 772737161 /nfs/dbraw/zinc/73/71/61/772737161.db2.gz JAYSJHDHYSANPR-SECBINFHSA-N 1 0 314.729 0.903 20 5 DCBDRO COC(=O)C1(Nc2c(F)c([N+](=O)[O-])cc[n+]2[O-])CC[NH2+]CC1 ZINC001166922516 772880167 /nfs/dbraw/zinc/88/01/67/772880167.db2.gz BPALFMNBIPDPSW-UHFFFAOYSA-N 1 0 314.273 0.074 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1c1nc(Cl)ncc1[N+](=O)[O-] ZINC001166962537 772890529 /nfs/dbraw/zinc/89/05/29/772890529.db2.gz ZCVQYBYYSITWSS-RITPCOANSA-N 1 0 301.690 0.117 20 5 DCBDRO CCOc1nc(N2C[C@H]([NH3+])C[C@H]2C(=O)OC)ccc1[N+](=O)[O-] ZINC001166967750 772892112 /nfs/dbraw/zinc/89/21/12/772892112.db2.gz PSMBPFHEVLGCIP-SCZZXKLOSA-N 1 0 310.310 0.468 20 5 DCBDRO C[C@H]1C[N@H+](CCO)CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001195094139 773324455 /nfs/dbraw/zinc/32/44/55/773324455.db2.gz MXHPGRZPMIDYBN-WFASDCNBSA-N 1 0 309.366 0.627 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)Oc1ccc(Cl)cc1C(N)=O ZINC001225522925 775691120 /nfs/dbraw/zinc/69/11/20/775691120.db2.gz DMEGJYWICCLCJE-SNVBAGLBSA-O 1 0 315.777 0.802 20 5 DCBDRO CC[N@H+](CCNC(=O)c1nnc[nH]1)Cc1ccc([N+](=O)[O-])cc1 ZINC001267253041 939403570 /nfs/dbraw/zinc/40/35/70/939403570.db2.gz DKVYRCLZDUKKPM-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO Cc1cncc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001268790764 940361827 /nfs/dbraw/zinc/36/18/27/940361827.db2.gz HTAFDLPLBPPSKQ-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001319591275 945626927 /nfs/dbraw/zinc/62/69/27/945626927.db2.gz GDGPBCXROMBNKY-NEPJUHHUSA-N 1 0 320.349 0.500 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001319864419 945682956 /nfs/dbraw/zinc/68/29/56/945682956.db2.gz VCXXJHMESNOEMA-UHFFFAOYSA-N 1 0 324.385 0.086 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(O)COC3)CC2)cc1 ZINC001254465569 946395660 /nfs/dbraw/zinc/39/56/60/946395660.db2.gz CYGSNLLPAVDLHW-UHFFFAOYSA-N 1 0 307.350 0.915 20 5 DCBDRO NC(=O)C1C[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254479791 946400781 /nfs/dbraw/zinc/40/07/81/946400781.db2.gz LWEHLIHJPCZLKN-UHFFFAOYSA-N 1 0 304.350 0.981 20 5 DCBDRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576763 946410872 /nfs/dbraw/zinc/41/08/72/946410872.db2.gz YWZQXPYFBXFICS-GFCCVEGCSA-N 1 0 313.379 0.543 20 5 DCBDRO CC(C)[C@H]([NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1nncn1C ZINC001323546399 947122344 /nfs/dbraw/zinc/12/23/44/947122344.db2.gz TYGWBWXHUPEDTL-RYUDHWBXSA-N 1 0 323.357 0.268 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001261459180 947300943 /nfs/dbraw/zinc/30/09/43/947300943.db2.gz BNPYTFMDXZUOQW-LURJTMIESA-N 1 0 322.350 0.853 20 5 DCBDRO COc1cccc(C(=O)N2CCNCC[NH2+]CC2)c1[N+](=O)[O-] ZINC001263211231 947820840 /nfs/dbraw/zinc/82/08/40/947820840.db2.gz JPRHVWKFASJTDY-UHFFFAOYSA-N 1 0 308.338 0.238 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327546236 948545246 /nfs/dbraw/zinc/54/52/46/948545246.db2.gz UTTKUOFFLRFEOJ-SNVBAGLBSA-N 1 0 320.349 0.409 20 5 DCBDRO [NH3+]C[C@@H]1CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)=NO1 ZINC001327568897 948554616 /nfs/dbraw/zinc/55/46/16/948554616.db2.gz CVZKWHQZQWJLTH-LBPRGKRZSA-N 1 0 304.306 0.583 20 5 DCBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001327915854 948663553 /nfs/dbraw/zinc/66/35/53/948663553.db2.gz DVIALBYIZKDXFW-MNOVXSKESA-N 1 0 308.338 0.308 20 5 DCBDRO C[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)c1cccc([N+](=O)[O-])c1 ZINC001328734247 949059057 /nfs/dbraw/zinc/05/90/57/949059057.db2.gz YDBHIZALLRELDZ-SNVBAGLBSA-N 1 0 320.349 0.640 20 5 DCBDRO NC(=O)CC(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC001316613783 951613223 /nfs/dbraw/zinc/61/32/23/951613223.db2.gz ZUJXRIBHTHZVAB-KLPPZKSPSA-N 1 0 320.349 0.455 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001333202527 951955982 /nfs/dbraw/zinc/95/59/82/951955982.db2.gz FPNVTJKAECVHGG-GFCCVEGCSA-N 1 0 307.354 0.796 20 5 DCBDRO Cc1nc(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ncc1[N+](=O)[O-] ZINC001333741642 952144280 /nfs/dbraw/zinc/14/42/80/952144280.db2.gz SSEZQDFOKAIGST-GFCCVEGCSA-N 1 0 307.354 0.729 20 5 DCBDRO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001335381993 952529521 /nfs/dbraw/zinc/52/95/21/952529521.db2.gz YDZSEYRRMCQPDS-JTQLQIEISA-N 1 0 308.338 0.359 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341098895 953209983 /nfs/dbraw/zinc/20/99/83/953209983.db2.gz WNNQVQXKOHRWAI-MJBXVCDLSA-N 1 0 305.334 0.803 20 5 DCBDRO CN(CC(=O)N[C@H]1C[NH2+]CC12CC2)c1ccccc1[N+](=O)[O-] ZINC001342866877 953312499 /nfs/dbraw/zinc/31/24/99/953312499.db2.gz ZNTAAHXOYPXURD-ZDUSSCGKSA-N 1 0 304.350 0.899 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC001346473752 953897896 /nfs/dbraw/zinc/89/78/96/953897896.db2.gz WAGWCHZWRAFKRS-IAQYHMDHSA-N 1 0 316.361 0.872 20 5 DCBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1[nH]ncc1[N+](=O)[O-] ZINC001347858122 954173648 /nfs/dbraw/zinc/17/36/48/954173648.db2.gz YLSMSCFRMCSPOQ-JTQLQIEISA-N 1 0 309.326 0.301 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC001348580548 954372435 /nfs/dbraw/zinc/37/24/35/954372435.db2.gz NIPZRFMXVZGKFE-LBPRGKRZSA-N 1 0 320.349 0.469 20 5 DCBDRO CC[NH+](CC)CC[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC001349870414 954916593 /nfs/dbraw/zinc/91/65/93/954916593.db2.gz UNJCGXKJNCAKNI-GFCCVEGCSA-N 1 0 324.381 0.993 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC001352536069 955657504 /nfs/dbraw/zinc/65/75/04/955657504.db2.gz NTUFWUVGASWJDZ-AWEZNQCLSA-N 1 0 311.313 0.873 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC001355215348 956617015 /nfs/dbraw/zinc/61/70/15/956617015.db2.gz HQERPNLZIZQZFJ-UHFFFAOYSA-N 1 0 307.354 0.654 20 5 DCBDRO C[C@@H](NC(=O)N1CCNCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001356581612 956899620 /nfs/dbraw/zinc/89/96/20/956899620.db2.gz BVAGIBAPCYOYHF-GFCCVEGCSA-N 1 0 321.381 0.860 20 5 DCBDRO NC(=O)c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CCO)C2)c([N+](=O)[O-])c1 ZINC001308161276 960167585 /nfs/dbraw/zinc/16/75/85/960167585.db2.gz BIYCPZXRULPHFR-DGCLKSJQSA-N 1 0 323.349 0.116 20 5 DCBDRO COC(=O)CNC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001308069156 960167936 /nfs/dbraw/zinc/16/79/36/960167936.db2.gz BPAIZUAJFWQRDX-SNVBAGLBSA-N 1 0 309.322 0.925 20 5 DCBDRO C[C@@H](CNC(=O)Nc1ccncc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC001310449424 960223616 /nfs/dbraw/zinc/22/36/16/960223616.db2.gz RWPDIUOHSOROIS-NSHDSACASA-N 1 0 322.369 0.169 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC001548497978 1016185304 /nfs/dbraw/zinc/18/53/04/1016185304.db2.gz MIOHJDDEWOTACL-AWEZNQCLSA-N 1 0 311.313 0.873 20 5 DCBDRO COC[C@](C)(CO)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001473711524 1016958027 /nfs/dbraw/zinc/95/80/27/1016958027.db2.gz PQRLDJJNMIFMQI-HNNXBMFYSA-N 1 0 323.349 0.471 20 5 DCBDRO O=c1cc(C[NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc[nH]1 ZINC001474257841 1017008469 /nfs/dbraw/zinc/00/84/69/1017008469.db2.gz AQYGMIMGFVWPQA-UKRRQHHQSA-N 1 0 319.317 0.880 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC001451797133 1006417907 /nfs/dbraw/zinc/41/79/07/1006417907.db2.gz AYIAAKQIDFYDJX-LBPRGKRZSA-N 1 0 322.365 0.754 20 5 DCBDRO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC001520037875 1017243302 /nfs/dbraw/zinc/24/33/02/1017243302.db2.gz UTMHGMOEMWZJGW-IUODEOHRSA-N 1 0 318.377 0.642 20 5 DCBDRO CC(C)(O)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001458529104 1012207896 /nfs/dbraw/zinc/20/78/96/1012207896.db2.gz FMPROAFFOYWYQW-NSHDSACASA-N 1 0 322.365 0.951 20 5 DCBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001543969442 1012530894 /nfs/dbraw/zinc/53/08/94/1012530894.db2.gz QQXWRROZJPJJGQ-JTQLQIEISA-N 1 0 307.354 0.986 20 5 DCBDRO COc1cc(CNC[C@H]2C[N@H+](C)CCN2C)c([N+](=O)[O-])cc1O ZINC001461195481 1013013420 /nfs/dbraw/zinc/01/34/20/1013013420.db2.gz LYBJVDLWINDHOP-LBPRGKRZSA-N 1 0 324.381 0.644 20 5 DCBDRO COc1c(O)ccc(C[NH2+][C@H](CO)Cc2cn[nH]n2)c1[N+](=O)[O-] ZINC001577037322 1126215013 /nfs/dbraw/zinc/21/50/13/1126215013.db2.gz GUNLKKJISQHYGH-JTQLQIEISA-N 1 0 323.309 0.120 20 5 DCBDRO CN(CC[NH+](C)C)S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000157371889 282092111 /nfs/dbraw/zinc/09/21/11/282092111.db2.gz HKBFBPZSUQBPEY-UHFFFAOYSA-N 1 0 305.331 0.916 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000415298853 529730108 /nfs/dbraw/zinc/73/01/08/529730108.db2.gz XMPNKCCBAWASBV-SNVBAGLBSA-N 1 0 306.322 0.655 20 5 DCBDRO C[NH+]1CCC(CNC(=O)NCCn2cc([N+](=O)[O-])cn2)CC1 ZINC000151880657 530049238 /nfs/dbraw/zinc/04/92/38/530049238.db2.gz PSOGMMQIPKYZNO-UHFFFAOYSA-N 1 0 310.358 0.432 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071397245 190966916 /nfs/dbraw/zinc/96/69/16/190966916.db2.gz BJGDGUZXPWIDOB-VIFPVBQESA-N 1 0 315.351 0.634 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179056132 198975865 /nfs/dbraw/zinc/97/58/65/198975865.db2.gz YFZYLFOENGEVLP-MFKMUULPSA-N 1 0 320.349 0.533 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000161431695 237094840 /nfs/dbraw/zinc/09/48/40/237094840.db2.gz QKYZDKYAVOOASA-GFCCVEGCSA-N 1 0 317.367 0.186 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(n2cncn2)CC1 ZINC000159787552 291236555 /nfs/dbraw/zinc/23/65/55/291236555.db2.gz KAZWRHSEDHUYDX-UHFFFAOYSA-N 1 0 318.337 0.685 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]CCOc2ccccc2)c1 ZINC000315089658 291253459 /nfs/dbraw/zinc/25/34/59/291253459.db2.gz LVPPVVWCIBGFLL-CYBMUJFWSA-N 1 0 306.322 0.821 20 5 DCBDRO C[C@@]1(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC[NH2+]C1 ZINC000320433896 291257310 /nfs/dbraw/zinc/25/73/10/291257310.db2.gz AAPDTYVYHRQVGM-OAHLLOKOSA-N 1 0 319.365 0.638 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000041030172 283639352 /nfs/dbraw/zinc/63/93/52/283639352.db2.gz HPOWAHSIVSHLKF-SECBINFHSA-N 1 0 314.367 0.430 20 5 DCBDRO C[C@H](NC[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ncnn1C ZINC000566123697 291272335 /nfs/dbraw/zinc/27/23/35/291272335.db2.gz CZTJNXRWSZRFJH-JQWIXIFHSA-N 1 0 321.337 0.814 20 5 DCBDRO NC(=O)CC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000566119897 291272450 /nfs/dbraw/zinc/27/24/50/291272450.db2.gz DAIMPCJTEGCYES-LLVKDONJSA-N 1 0 323.349 0.580 20 5 DCBDRO C[C@H](CC[NH3+])NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000420415929 240025320 /nfs/dbraw/zinc/02/53/20/240025320.db2.gz GFPHQTYUAHHQTE-SNVBAGLBSA-N 1 0 301.368 0.794 20 5 DCBDRO Cc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC000420482742 240041154 /nfs/dbraw/zinc/04/11/54/240041154.db2.gz UYYCKZDTVIKGRD-JTQLQIEISA-N 1 0 315.351 0.170 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1CN(C2CC2)CCO1 ZINC000420606099 240049690 /nfs/dbraw/zinc/04/96/90/240049690.db2.gz WLPHSHNXKMMUHS-LLVKDONJSA-N 1 0 320.349 0.969 20 5 DCBDRO CCOc1cccc([N+](=O)[O-])c1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423535846 240202431 /nfs/dbraw/zinc/20/24/31/240202431.db2.gz FPDCZLYMWUVSME-SNVBAGLBSA-N 1 0 309.322 0.793 20 5 DCBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CNCCO2)n1 ZINC000423545535 240203699 /nfs/dbraw/zinc/20/36/99/240203699.db2.gz CXROHTYNQGUDNB-YNEHKIRRSA-N 1 0 309.370 0.853 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424081163 240252757 /nfs/dbraw/zinc/25/27/57/240252757.db2.gz WINKAOQTFOYPER-UMNHJUIQSA-N 1 0 309.370 0.932 20 5 DCBDRO C[C@]1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC(=O)N1 ZINC000567262449 291345830 /nfs/dbraw/zinc/34/58/30/291345830.db2.gz OZVKBRKPCRMQAI-XHDPSFHLSA-N 1 0 323.349 0.593 20 5 DCBDRO CC[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](O)C(C)C ZINC000567872803 291386375 /nfs/dbraw/zinc/38/63/75/291386375.db2.gz HOIXSIIRZBNSQI-AGIUHOORSA-N 1 0 300.359 0.537 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2cccc([N+](=O)[O-])c2)C1 ZINC000567872430 291386493 /nfs/dbraw/zinc/38/64/93/291386493.db2.gz QQIDWAHIILVDLN-LLVKDONJSA-N 1 0 306.322 0.031 20 5 DCBDRO CC(C)[C@H](O)C1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000568089480 291402582 /nfs/dbraw/zinc/40/25/82/291402582.db2.gz YXDLJLXIEFTEFH-STQMWFEESA-N 1 0 312.370 0.539 20 5 DCBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000573054478 291607813 /nfs/dbraw/zinc/60/78/13/291607813.db2.gz LEEAPJOYBPOFMD-SWHYSGLUSA-N 1 0 322.365 0.529 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000104555578 194015006 /nfs/dbraw/zinc/01/50/06/194015006.db2.gz UOXZFJAHVWEFGI-UHFFFAOYSA-N 1 0 310.354 0.827 20 5 DCBDRO Cc1cnc(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000574803020 291716579 /nfs/dbraw/zinc/71/65/79/291716579.db2.gz DWXHWLHJZLWGOV-GFCCVEGCSA-N 1 0 306.326 0.083 20 5 DCBDRO O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000261856058 285156537 /nfs/dbraw/zinc/15/65/37/285156537.db2.gz XGIVJHWNSADHMS-UHFFFAOYSA-N 1 0 303.315 0.718 20 5 DCBDRO COC(=O)[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]1C ZINC000346691006 254083671 /nfs/dbraw/zinc/08/36/71/254083671.db2.gz VJEBNONXMMGZNV-JQWIXIFHSA-N 1 0 309.322 0.640 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CCC[C@H]([NH3+])C2)cc([N+](=O)[O-])c1 ZINC000347486750 254161336 /nfs/dbraw/zinc/16/13/36/254161336.db2.gz APWGJTDDPQGQLG-NSHDSACASA-N 1 0 307.306 0.945 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000272979243 130078305 /nfs/dbraw/zinc/07/83/05/130078305.db2.gz IYOMGJCJFFKLII-CQSZACIVSA-N 1 0 309.370 0.996 20 5 DCBDRO [NH3+]CCC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000002599512 395681633 /nfs/dbraw/zinc/68/16/33/395681633.db2.gz DFNFEONLQWXGMS-UHFFFAOYSA-N 1 0 306.322 0.228 20 5 DCBDRO Nc1nc(-n2cccn2)cc(NCCn2cc([N+](=O)[O-])cn2)[nH+]1 ZINC000092923312 395735064 /nfs/dbraw/zinc/73/50/64/395735064.db2.gz BNESNWGAUMMCOM-UHFFFAOYSA-N 1 0 315.297 0.461 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCC[NH3+] ZINC000194741275 395806517 /nfs/dbraw/zinc/80/65/17/395806517.db2.gz NJTIIWSVRIGJJC-UHFFFAOYSA-N 1 0 303.340 0.621 20 5 DCBDRO CC[N@H+](C)CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000118109735 395859920 /nfs/dbraw/zinc/85/99/20/395859920.db2.gz ZTNIYMLKQMAXSG-UHFFFAOYSA-N 1 0 308.338 0.910 20 5 DCBDRO CCNC(=O)C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000054223588 395895561 /nfs/dbraw/zinc/89/55/61/395895561.db2.gz SARXAGJVEUHTFK-UHFFFAOYSA-N 1 0 308.338 0.991 20 5 DCBDRO CCC[NH2+]CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] ZINC000054267452 395896738 /nfs/dbraw/zinc/89/67/38/395896738.db2.gz GXPHDMYJQYCYRB-UHFFFAOYSA-N 1 0 302.356 0.654 20 5 DCBDRO COc1cc(OCC(=O)NC[C@@H]([NH3+])C2CC2)ccc1[N+](=O)[O-] ZINC000237226373 395907560 /nfs/dbraw/zinc/90/75/60/395907560.db2.gz PNBILZUWMJBXRK-LLVKDONJSA-N 1 0 309.322 0.836 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000126196289 395911170 /nfs/dbraw/zinc/91/11/70/395911170.db2.gz URLSTZFOMXDTSC-ONGXEEELSA-N 1 0 306.322 0.191 20 5 DCBDRO CC[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000130004545 395921094 /nfs/dbraw/zinc/92/10/94/395921094.db2.gz BUVUZKXJZACVJB-CYBMUJFWSA-N 1 0 320.349 0.617 20 5 DCBDRO C[NH2+]C[C@H](C)CNS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000133198627 395928315 /nfs/dbraw/zinc/92/83/15/395928315.db2.gz LUWJXSBQXQNZRR-VIFPVBQESA-N 1 0 317.367 0.737 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000246888751 395960134 /nfs/dbraw/zinc/96/01/34/395960134.db2.gz VDOSRDVHAWEYHD-BNOWGMLFSA-N 1 0 310.354 0.653 20 5 DCBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000247273252 395970403 /nfs/dbraw/zinc/97/04/03/395970403.db2.gz FPJBDNORXHCRKP-DGCLKSJQSA-N 1 0 309.370 0.980 20 5 DCBDRO CCC[N@@H+]1CC[C@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151293708 395983411 /nfs/dbraw/zinc/98/34/11/395983411.db2.gz JYOZTKFPDWDUHU-GFCCVEGCSA-N 1 0 324.385 0.822 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000276972473 396040558 /nfs/dbraw/zinc/04/05/58/396040558.db2.gz AMDPKMZNILLSQQ-CQSZACIVSA-N 1 0 311.338 0.646 20 5 DCBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000154754965 396042082 /nfs/dbraw/zinc/04/20/82/396042082.db2.gz RRGWASXQSSWFMZ-UHFFFAOYSA-N 1 0 308.338 0.652 20 5 DCBDRO Cc1nn(CCC(=O)N2CC[C@@](C)(C[NH3+])C2)c(C)c1[N+](=O)[O-] ZINC000261726222 396060226 /nfs/dbraw/zinc/06/02/26/396060226.db2.gz CPNGHDVLUBHNES-AWEZNQCLSA-N 1 0 309.370 0.996 20 5 DCBDRO Cc1c(NC(=O)CC[NH2+]C2(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000152388875 396008200 /nfs/dbraw/zinc/00/82/00/396008200.db2.gz YVAAGKFCIYRBGV-UHFFFAOYSA-N 1 0 306.322 0.839 20 5 DCBDRO COc1ccc(CNC(=O)C2(C[NH3+])CCOCC2)cc1[N+](=O)[O-] ZINC000261984269 396087573 /nfs/dbraw/zinc/08/75/73/396087573.db2.gz RYQHDJZEEHXDCW-UHFFFAOYSA-N 1 0 323.349 0.975 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NCC1CC[NH+](C2CC2)CC1 ZINC000278501931 396127939 /nfs/dbraw/zinc/12/79/39/396127939.db2.gz IJMXJIYQQXJHSS-UHFFFAOYSA-N 1 0 307.354 0.782 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000277648381 396079230 /nfs/dbraw/zinc/07/92/30/396079230.db2.gz UVWCGGFUVQJIPT-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO CNC(=O)[C@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280536104 396206539 /nfs/dbraw/zinc/20/65/39/396206539.db2.gz DDSIUNRTNKUAMP-CQSZACIVSA-N 1 0 308.338 0.215 20 5 DCBDRO C[C@@H]1C[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C[N@@H+]1C1CC1 ZINC000177096738 396166312 /nfs/dbraw/zinc/16/63/12/396166312.db2.gz QSJOCCXFAGIQRX-GHMZBOCLSA-N 1 0 307.354 0.923 20 5 DCBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000075752029 396186049 /nfs/dbraw/zinc/18/60/49/396186049.db2.gz XPLBSDDBVGCSFJ-MJBXVCDLSA-N 1 0 312.370 0.778 20 5 DCBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1N)N1CC[NH+](C)CC1 ZINC000178199846 396190986 /nfs/dbraw/zinc/19/09/86/396190986.db2.gz LNRCRPQVPCEKED-NSHDSACASA-N 1 0 321.381 0.543 20 5 DCBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Cn3cc([N+](=O)[O-])cn3)CC[C@@H]21 ZINC000178544872 396198303 /nfs/dbraw/zinc/19/83/03/396198303.db2.gz VYAIVPGXOXULAI-YPMHNXCESA-N 1 0 307.354 0.734 20 5 DCBDRO O=C1NC(=O)C2(CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)N1 ZINC000263947597 396245074 /nfs/dbraw/zinc/24/50/74/396245074.db2.gz CLIGKJLBGLRXSA-UHFFFAOYSA-N 1 0 304.306 0.769 20 5 DCBDRO C[N@H+](CCOCCO)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000282280270 396277404 /nfs/dbraw/zinc/27/74/04/396277404.db2.gz DWBDMVHZIOADHU-ZDUSSCGKSA-N 1 0 314.338 0.275 20 5 DCBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ncc([N+](=O)[O-])c(N)n2)C1 ZINC000080695364 396284211 /nfs/dbraw/zinc/28/42/11/396284211.db2.gz UYFXLOOXDDVGNY-LLVKDONJSA-N 1 0 324.385 0.904 20 5 DCBDRO C[N@@H+](Cc1cccc(O)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000080918561 396288888 /nfs/dbraw/zinc/28/88/88/396288888.db2.gz ODPBMMBAJIBZLQ-CQSZACIVSA-N 1 0 306.322 0.990 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000264680756 396301946 /nfs/dbraw/zinc/30/19/46/396301946.db2.gz ZWDPYBNAEACDSI-NSHDSACASA-N 1 0 320.349 0.357 20 5 DCBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1(CO)CCOCC1 ZINC000191015802 396413959 /nfs/dbraw/zinc/41/39/59/396413959.db2.gz ZZBDAWUBGNACCU-UHFFFAOYSA-N 1 0 323.349 0.667 20 5 DCBDRO COc1ccc(S(=O)(=O)N[C@@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000507335027 396497003 /nfs/dbraw/zinc/49/70/03/396497003.db2.gz STJHQULALLOART-SECBINFHSA-N 1 0 315.351 0.586 20 5 DCBDRO O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccc([N+](=O)[O-])cc1F ZINC000580789388 396500782 /nfs/dbraw/zinc/50/07/82/396500782.db2.gz SAEAZUKJNABCCY-OAHLLOKOSA-N 1 0 323.324 0.920 20 5 DCBDRO O=C1C[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CN1 ZINC000595290064 396581206 /nfs/dbraw/zinc/58/12/06/396581206.db2.gz HDROICZISURNEC-GFCCVEGCSA-N 1 0 304.350 0.853 20 5 DCBDRO Cc1noc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1[N+](=O)[O-] ZINC000595304793 396582996 /nfs/dbraw/zinc/58/29/96/396582996.db2.gz CNGRXNSKVBMPGZ-NEPJUHHUSA-N 1 0 310.354 0.922 20 5 DCBDRO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373110612 396567178 /nfs/dbraw/zinc/56/71/78/396567178.db2.gz IWWKJUDCJJJXFA-GHMZBOCLSA-N 1 0 322.321 0.288 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCS(=O)(=O)c2ccccc2)c1 ZINC000581721425 396577529 /nfs/dbraw/zinc/57/75/29/396577529.db2.gz VLQMBPWJELNRAJ-UHFFFAOYSA-N 1 0 324.362 0.855 20 5 DCBDRO C[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@@H](C2CC2)O1 ZINC000373430559 396590573 /nfs/dbraw/zinc/59/05/73/396590573.db2.gz HHTVNTPLAFSZFA-SWHYSGLUSA-N 1 0 310.354 0.652 20 5 DCBDRO C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1nccn1C ZINC000595382341 396598726 /nfs/dbraw/zinc/59/87/26/396598726.db2.gz FVLULNFXZRGGDO-QMMMGPOBSA-N 1 0 311.323 0.763 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000561239367 396636447 /nfs/dbraw/zinc/63/64/47/396636447.db2.gz GRGOGLAVXRVZKX-LBPRGKRZSA-N 1 0 320.349 0.469 20 5 DCBDRO O=C(c1cc([N+](=O)[O-])n[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000585817489 396661137 /nfs/dbraw/zinc/66/11/37/396661137.db2.gz IBWTUORJBLGBDF-UHFFFAOYSA-N 1 0 302.294 0.675 20 5 DCBDRO CCOCC[C@H](O)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000562425446 396663030 /nfs/dbraw/zinc/66/30/30/396663030.db2.gz ZKYAAIBWGBZFTK-AWEZNQCLSA-N 1 0 324.381 0.899 20 5 DCBDRO CCC(O)(CC)CC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000563003056 396692386 /nfs/dbraw/zinc/69/23/86/396692386.db2.gz OHTVQBUBIQGVOI-LBPRGKRZSA-N 1 0 300.359 0.683 20 5 DCBDRO O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000588869998 396696816 /nfs/dbraw/zinc/69/68/16/396696816.db2.gz RZYHSWKCOIMJKQ-SNVBAGLBSA-N 1 0 311.313 0.920 20 5 DCBDRO O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563096682 396702943 /nfs/dbraw/zinc/70/29/43/396702943.db2.gz FGEOETPOCWMYFK-SWLSCSKDSA-N 1 0 319.365 0.954 20 5 DCBDRO C[N@@H+]1CCCC12CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)CC2 ZINC000374980078 396703041 /nfs/dbraw/zinc/70/30/41/396703041.db2.gz NMEALQPVRYJXSR-CQSZACIVSA-N 1 0 323.397 0.712 20 5 DCBDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000596067633 396714161 /nfs/dbraw/zinc/71/41/61/396714161.db2.gz OUEXOJMHUMVCMT-IJLUTSLNSA-N 1 0 324.333 0.876 20 5 DCBDRO O=C(C[NH2+]C1CC1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000315343593 396789016 /nfs/dbraw/zinc/78/90/16/396789016.db2.gz XJZMDLHFWKKSLX-UHFFFAOYSA-N 1 0 305.338 0.390 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000304338273 396730471 /nfs/dbraw/zinc/73/04/71/396730471.db2.gz XNAPMGVHCWZZEX-CQSZACIVSA-N 1 0 320.353 0.686 20 5 DCBDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610657643 396745492 /nfs/dbraw/zinc/74/54/92/396745492.db2.gz IKYLHEWESPSPAP-UHFFFAOYSA-N 1 0 316.383 0.952 20 5 DCBDRO COc1ccc(NC(=O)CN2CC[C@@H](O)[C@H]2C)c([N+](=O)[O-])c1 ZINC000590762191 396835643 /nfs/dbraw/zinc/83/56/43/396835643.db2.gz OTASHOXQFHBWLF-NOZJJQNGSA-N 1 0 309.322 0.997 20 5 DCBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000590930746 396856954 /nfs/dbraw/zinc/85/69/54/396856954.db2.gz BDWHJAAPNQONKH-LLVKDONJSA-N 1 0 310.358 0.527 20 5 DCBDRO COc1cc(C(=O)N(C)CCN2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000322286710 396817410 /nfs/dbraw/zinc/81/74/10/396817410.db2.gz RCBOSYJJJLLEFD-UHFFFAOYSA-N 1 0 322.365 0.581 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000376113621 396877205 /nfs/dbraw/zinc/87/72/05/396877205.db2.gz LMVCEDBFLHUCIF-VXGBXAGGSA-N 1 0 307.354 0.700 20 5 DCBDRO O=C(NCC[N@H+]1CC[C@H](O)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000600698423 396920937 /nfs/dbraw/zinc/92/09/37/396920937.db2.gz DXAGASFLUFURHO-JTQLQIEISA-N 1 0 312.301 0.922 20 5 DCBDRO O=C(CC[NH2+]CCN1CC[C@H](O)C1)Nc1ccccc1[N+](=O)[O-] ZINC000600760043 396939342 /nfs/dbraw/zinc/93/93/42/396939342.db2.gz JJLFJCIPSRHBPM-LBPRGKRZSA-N 1 0 322.365 0.580 20 5 DCBDRO C[C@@H](C(=O)NCC[N@@H+]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000600808815 396947825 /nfs/dbraw/zinc/94/78/25/396947825.db2.gz RVPPECYJEDCHNA-RISCZKNCSA-N 1 0 307.350 0.881 20 5 DCBDRO O=C1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])N1 ZINC000591763688 396998605 /nfs/dbraw/zinc/99/86/05/396998605.db2.gz BNHQNIABXZFHGU-RYUDHWBXSA-N 1 0 323.349 0.593 20 5 DCBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000591680788 396977184 /nfs/dbraw/zinc/97/71/84/396977184.db2.gz HUNCIFXEWMAKJE-SNVBAGLBSA-N 1 0 320.309 0.011 20 5 DCBDRO O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000601326994 397056888 /nfs/dbraw/zinc/05/68/88/397056888.db2.gz IMWLXSMAIURHTO-AAEUAGOBSA-N 1 0 302.334 0.530 20 5 DCBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000353959055 397150533 /nfs/dbraw/zinc/15/05/33/397150533.db2.gz CDFJBYCCZLJHIP-LLVKDONJSA-N 1 0 310.354 0.603 20 5 DCBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000619578167 397153272 /nfs/dbraw/zinc/15/32/72/397153272.db2.gz BBKMMXKZVDSWRO-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000613014673 397179776 /nfs/dbraw/zinc/17/97/76/397179776.db2.gz UVJJEPPUKJMPAA-HNNXBMFYSA-N 1 0 323.349 0.522 20 5 DCBDRO CC(C)(CO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592429520 397174038 /nfs/dbraw/zinc/17/40/38/397174038.db2.gz IAZBOGDWBQUJGY-UHFFFAOYSA-N 1 0 316.379 0.977 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)CCO1 ZINC000592476527 397187429 /nfs/dbraw/zinc/18/74/29/397187429.db2.gz HMWHUXOLTWIREW-ISVAXAHUSA-N 1 0 323.305 0.512 20 5 DCBDRO O=[N+]([O-])c1ncccc1S(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000573801385 397208542 /nfs/dbraw/zinc/20/85/42/397208542.db2.gz PVAASYSCSNVICV-VIFPVBQESA-N 1 0 300.340 0.268 20 5 DCBDRO COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592549891 397209372 /nfs/dbraw/zinc/20/93/72/397209372.db2.gz PNACQNRIVSSCFP-CYBMUJFWSA-N 1 0 321.333 0.880 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567462 397218207 /nfs/dbraw/zinc/21/82/07/397218207.db2.gz CFVSHVYFRSCFCN-LLVKDONJSA-N 1 0 320.349 0.547 20 5 DCBDRO C[C@H]1CC[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C[NH2+]1 ZINC000599107098 397339360 /nfs/dbraw/zinc/33/93/60/397339360.db2.gz ZAVOXIUKIPYHGT-DTWKUNHWSA-N 1 0 300.340 0.409 20 5 DCBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000599108565 397340456 /nfs/dbraw/zinc/34/04/56/397340456.db2.gz NGHCHTZIMCINHK-UHFFFAOYSA-N 1 0 322.413 0.803 20 5 DCBDRO C[C@H](C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)[NH+](C)C ZINC000602157352 397326375 /nfs/dbraw/zinc/32/63/75/397326375.db2.gz HNVNMFPCAMIHRO-LLVKDONJSA-N 1 0 307.354 0.589 20 5 DCBDRO CN(CC[NH+]1CCCCC1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000593112550 397328851 /nfs/dbraw/zinc/32/88/51/397328851.db2.gz OPSSSWIROCAFTA-AWEZNQCLSA-N 1 0 311.386 0.570 20 5 DCBDRO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CCN2C1=O ZINC000578453812 397438847 /nfs/dbraw/zinc/43/88/47/397438847.db2.gz GUNDLTKVJWMVGV-RYUDHWBXSA-N 1 0 322.296 0.118 20 5 DCBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000367064868 397397176 /nfs/dbraw/zinc/39/71/76/397397176.db2.gz DAAJEXZQIQOLCA-UWVGGRQHSA-N 1 0 317.342 0.915 20 5 DCBDRO CC[NH2+][C@@H](C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602440802 397402862 /nfs/dbraw/zinc/40/28/62/397402862.db2.gz BHMKKOIUYZRUFK-NSHDSACASA-N 1 0 307.354 0.636 20 5 DCBDRO CO[C@@H]1COC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602686260 397461847 /nfs/dbraw/zinc/46/18/47/397461847.db2.gz AQSAKOWXRZKJPD-UONOGXRCSA-N 1 0 322.365 0.962 20 5 DCBDRO CC[C@H](C[C@H](C)CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579474675 397573055 /nfs/dbraw/zinc/57/30/55/397573055.db2.gz IRQLGLHSLVFYDQ-DMDPSCGWSA-N 1 0 300.359 0.539 20 5 DCBDRO CN(C(=O)CN1CCN(C)C[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000602903035 397518488 /nfs/dbraw/zinc/51/84/88/397518488.db2.gz AIPKRVKVWSCTCQ-CQSZACIVSA-N 1 0 322.365 0.166 20 5 DCBDRO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000579121448 397525836 /nfs/dbraw/zinc/52/58/36/397525836.db2.gz FRQLENAXSPBKCY-MFKMUULPSA-N 1 0 323.353 0.676 20 5 DCBDRO COc1cc(N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000579142397 397529810 /nfs/dbraw/zinc/52/98/10/397529810.db2.gz CLKQWKHKEJOPDK-WCBMZHEXSA-N 1 0 324.312 0.491 20 5 DCBDRO CCc1noc(C)c1C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579824858 397593935 /nfs/dbraw/zinc/59/39/35/397593935.db2.gz XBRNHWZHXXMOKL-NSHDSACASA-N 1 0 309.326 0.801 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000610447499 397822159 /nfs/dbraw/zinc/82/21/59/397822159.db2.gz QVGCGFHHOCXICR-CQSZACIVSA-N 1 0 309.370 0.588 20 5 DCBDRO CO[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000261953579 286058174 /nfs/dbraw/zinc/05/81/74/286058174.db2.gz WUUZQNBRBHDTFN-RYUDHWBXSA-N 1 0 322.365 0.971 20 5 DCBDRO C[N@@H+]1CCCN(C(=O)COc2ccc(C=O)cc2[N+](=O)[O-])CC1 ZINC000114675670 158156169 /nfs/dbraw/zinc/15/61/69/158156169.db2.gz BPVRXGSVKYAZFX-UHFFFAOYSA-N 1 0 321.333 0.950 20 5 DCBDRO NCC(F)(F)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000162629989 158361087 /nfs/dbraw/zinc/36/10/87/158361087.db2.gz ZGDXJGLFJOFHCK-UHFFFAOYSA-N 1 0 313.257 0.606 20 5 DCBDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000170873477 158377491 /nfs/dbraw/zinc/37/74/91/158377491.db2.gz RTDDGHIMGBNQLY-QMMMGPOBSA-N 1 0 305.381 0.981 20 5 DCBDRO Nc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1[N+](=O)[O-] ZINC000320727503 159010441 /nfs/dbraw/zinc/01/04/41/159010441.db2.gz DQSZZFURJZPPAW-RYUDHWBXSA-N 1 0 320.349 0.770 20 5 DCBDRO C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[nH]1)C[NH+]1CCN(C)CC1 ZINC000330558525 159193523 /nfs/dbraw/zinc/19/35/23/159193523.db2.gz XGCOZTCORZZEDT-LLVKDONJSA-N 1 0 309.370 0.536 20 5 DCBDRO CSC1(CNC(=O)c2[nH]ncc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000359268302 159258774 /nfs/dbraw/zinc/25/87/74/159258774.db2.gz XYJDLCHAKYBROZ-UHFFFAOYSA-N 1 0 313.383 0.875 20 5 DCBDRO O=C(CN1C[C@H]2[C@H](CO)[C@H]2C1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000367846891 159359997 /nfs/dbraw/zinc/35/99/97/159359997.db2.gz CWNKPIYYVDIADE-WDNDVIMCSA-N 1 0 317.345 0.654 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000376113617 159839436 /nfs/dbraw/zinc/83/94/36/159839436.db2.gz LMVCEDBFLHUCIF-NEPJUHHUSA-N 1 0 307.354 0.700 20 5 DCBDRO COC(=O)[C@H](O)C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000135342704 287021511 /nfs/dbraw/zinc/02/15/11/287021511.db2.gz NLYJOMWUTNYHJK-GFCCVEGCSA-N 1 0 312.326 0.037 20 5 DCBDRO COC(=O)[C@@H](O)C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000135342955 287021615 /nfs/dbraw/zinc/02/16/15/287021615.db2.gz BIUMIQBWLSIGCD-LBPRGKRZSA-N 1 0 312.326 0.037 20 5 DCBDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000177342529 287054152 /nfs/dbraw/zinc/05/41/52/287054152.db2.gz MZZGNDKGPULQQS-VNHYZAJKSA-N 1 0 323.397 0.711 20 5 DCBDRO C[C@H](CO)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C[C@H](C)O ZINC000248934239 287103935 /nfs/dbraw/zinc/10/39/35/287103935.db2.gz MYWQEMXQBCABKV-ZJUUUORDSA-N 1 0 311.338 0.257 20 5 DCBDRO C[NH2+]C[C@@H](C)CNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420414479 287296658 /nfs/dbraw/zinc/29/66/58/287296658.db2.gz HGBPJXUCSRXECI-LLVKDONJSA-N 1 0 315.395 0.912 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c([N+](=O)[O-])n1 ZINC000353221104 415480081 /nfs/dbraw/zinc/48/00/81/415480081.db2.gz WVRZMKJFLOXWRJ-DTWKUNHWSA-N 1 0 317.371 0.217 20 5 DCBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)C2)C1 ZINC000356264849 415893034 /nfs/dbraw/zinc/89/30/34/415893034.db2.gz XBRWYEVYNSTMNN-CYBMUJFWSA-N 1 0 308.342 0.131 20 5 DCBDRO C[NH+](C)C[C@@](C)(O)CNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000153297175 415979460 /nfs/dbraw/zinc/97/94/60/415979460.db2.gz SZDBKMZIRQUSCZ-AWEZNQCLSA-N 1 0 321.337 0.514 20 5 DCBDRO CCN1CC[NH+](C[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000344760119 415983220 /nfs/dbraw/zinc/98/32/20/415983220.db2.gz OAEDIJJGAZBIPF-GFCCVEGCSA-N 1 0 323.397 0.926 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000176812738 416134502 /nfs/dbraw/zinc/13/45/02/416134502.db2.gz XXVNFMAVYJFRMD-UHFFFAOYSA-N 1 0 318.337 0.809 20 5 DCBDRO [NH3+]C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCO1 ZINC000358123858 416197023 /nfs/dbraw/zinc/19/70/23/416197023.db2.gz JUWLPZBWEIDQCZ-ZIAGYGMSSA-N 1 0 320.349 0.360 20 5 DCBDRO [NH3+]C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000358130825 416197923 /nfs/dbraw/zinc/19/79/23/416197923.db2.gz UVHZTIBVLQPVOV-CYBMUJFWSA-N 1 0 308.338 0.583 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000415654186 416350371 /nfs/dbraw/zinc/35/03/71/416350371.db2.gz HWBKVPLIHBVJFC-SECBINFHSA-N 1 0 308.338 0.956 20 5 DCBDRO Cc1c(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cccc1[N+](=O)[O-] ZINC000415818614 416355047 /nfs/dbraw/zinc/35/50/47/416355047.db2.gz VFQJZQICBPUTRW-MFKMUULPSA-N 1 0 318.333 0.662 20 5 DCBDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000583921803 416484303 /nfs/dbraw/zinc/48/43/03/416484303.db2.gz UIAZXCAHQIGYAD-JTQLQIEISA-N 1 0 308.338 0.183 20 5 DCBDRO CC[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000583933971 416486378 /nfs/dbraw/zinc/48/63/78/416486378.db2.gz GHMUFILUECVACM-SECBINFHSA-N 1 0 315.351 0.465 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC000361081249 416420668 /nfs/dbraw/zinc/42/06/68/416420668.db2.gz QMKUSKOCIAHIPD-GHMZBOCLSA-N 1 0 307.354 0.755 20 5 DCBDRO [NH3+]C[C@@H]1Cc2ccccc2N1C(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000422627671 416443457 /nfs/dbraw/zinc/44/34/57/416443457.db2.gz PSWMDUIDGAMQLQ-NSHDSACASA-N 1 0 301.306 0.708 20 5 DCBDRO COC[C@@]1(C(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]C1 ZINC000423717691 416548554 /nfs/dbraw/zinc/54/85/54/416548554.db2.gz AVLNWZLCFACWRX-CQSZACIVSA-N 1 0 319.321 1.036 20 5 DCBDRO COc1ccc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423719014 416548757 /nfs/dbraw/zinc/54/87/57/416548757.db2.gz DTRHWNKYKADMGW-SNVBAGLBSA-N 1 0 322.321 0.410 20 5 DCBDRO CO[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000584349088 416514224 /nfs/dbraw/zinc/51/42/24/416514224.db2.gz BUVCWVQFJUCCNX-JTNHKYCSSA-N 1 0 312.322 0.338 20 5 DCBDRO CNc1nccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[N+](=O)[O-] ZINC000584791128 416515972 /nfs/dbraw/zinc/51/59/72/416515972.db2.gz ZITCYBXMCQXNDC-AOOOYVTPSA-N 1 0 305.338 0.665 20 5 DCBDRO O=C(CCOc1ccccc1[N+](=O)[O-])NC[C@@H]1C[NH2+]CCO1 ZINC000423995090 416603254 /nfs/dbraw/zinc/60/32/54/416603254.db2.gz UGXHZZDJBKJBSS-NSHDSACASA-N 1 0 309.322 0.468 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000424035020 416605866 /nfs/dbraw/zinc/60/58/66/416605866.db2.gz RWSFGYGMJMJYCL-UHFFFAOYSA-N 1 0 318.337 0.857 20 5 DCBDRO CCc1[nH]nc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1[N+](=O)[O-] ZINC000362331780 416567045 /nfs/dbraw/zinc/56/70/45/416567045.db2.gz CXSQNGDCHXFLDW-UHFFFAOYSA-N 1 0 321.341 0.891 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000423915935 416590005 /nfs/dbraw/zinc/59/00/05/416590005.db2.gz YPDNZUXMXFXDQL-CQSZACIVSA-N 1 0 315.333 0.622 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366432670 416625549 /nfs/dbraw/zinc/62/55/49/416625549.db2.gz HFMWZCXPKCATMH-WUHRBBMRSA-N 1 0 308.334 0.505 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000366461189 416627570 /nfs/dbraw/zinc/62/75/70/416627570.db2.gz KEVJTTNSGXTGSZ-YABSGUDNSA-N 1 0 314.301 0.796 20 5 DCBDRO C[C@H]1C[C@H](NC(=O)c2ccnc(N)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000548092006 416685233 /nfs/dbraw/zinc/68/52/33/416685233.db2.gz USXOBNPOJAUOPD-IUCAKERBSA-N 1 0 305.338 0.927 20 5 DCBDRO Cc1nn(CCC(=O)N2CCC[N@@H+](C)CC2)c(C)c1[N+](=O)[O-] ZINC000368985239 416715453 /nfs/dbraw/zinc/71/54/53/416715453.db2.gz YXSZVUQHEYBASE-UHFFFAOYSA-N 1 0 309.370 0.962 20 5 DCBDRO C[N@@H+]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1(C)C ZINC000559258016 416804453 /nfs/dbraw/zinc/80/44/53/416804453.db2.gz NLHLCEMXSGMJLL-UHFFFAOYSA-N 1 0 308.338 0.309 20 5 DCBDRO CC[N@H+](C)C[C@H](O)CN1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000518791090 416877043 /nfs/dbraw/zinc/87/70/43/416877043.db2.gz WGRASXZBRPCLSK-ZDUSSCGKSA-N 1 0 311.386 0.741 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429320505 416962803 /nfs/dbraw/zinc/96/28/03/416962803.db2.gz BKBWJVYEMUWHHP-UHFFFAOYSA-N 1 0 302.294 0.471 20 5 DCBDRO CC(C)([NH3+])CNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429628242 287338114 /nfs/dbraw/zinc/33/81/14/287338114.db2.gz FVTAROCXYJENBZ-UHFFFAOYSA-N 1 0 323.353 0.248 20 5 DCBDRO O=C(NCC[NH+]1CCC1)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446904718 416954210 /nfs/dbraw/zinc/95/42/10/416954210.db2.gz BXIWGMMEDMIRKL-UHFFFAOYSA-N 1 0 318.337 0.976 20 5 DCBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1 ZINC000521755943 417026716 /nfs/dbraw/zinc/02/67/16/417026716.db2.gz UCGSDECGVGJCFD-UHFFFAOYSA-N 1 0 310.358 0.519 20 5 DCBDRO CN(C(=O)C[NH2+][C@H](CO)[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000447904262 417038659 /nfs/dbraw/zinc/03/86/59/417038659.db2.gz PKBUCXAZTSAVNH-KGLIPLIRSA-N 1 0 323.349 0.687 20 5 DCBDRO C[C@@H](NC(=O)c1ccnc(N)c1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000566687445 417051160 /nfs/dbraw/zinc/05/11/60/417051160.db2.gz KAZQTWRCVPOVLO-SECBINFHSA-N 1 0 305.338 0.952 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)[C@@H]2CCCSC2)c1 ZINC000433191067 417239334 /nfs/dbraw/zinc/23/93/34/417239334.db2.gz YLQZSBBOCXHVNI-LLVKDONJSA-N 1 0 300.384 0.981 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[N@@H+](CCO)[C@H]2CCCSC2)c1 ZINC000433191069 417239529 /nfs/dbraw/zinc/23/95/29/417239529.db2.gz YLQZSBBOCXHVNI-NSHDSACASA-N 1 0 300.384 0.981 20 5 DCBDRO CC1(C)C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]2COC[C@@H]21 ZINC000452111723 417454999 /nfs/dbraw/zinc/45/49/99/417454999.db2.gz VNFRUQUIFKBJAX-RWMBFGLXSA-N 1 0 310.354 0.509 20 5 DCBDRO CN1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000316675620 261175845 /nfs/dbraw/zinc/17/58/45/261175845.db2.gz HHICIRQNKNRILC-FWWRYZNZSA-N 1 0 304.350 0.709 20 5 DCBDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000354385537 261211908 /nfs/dbraw/zinc/21/19/08/261211908.db2.gz IMFARWSFGMJYHE-NSHDSACASA-N 1 0 309.370 0.679 20 5 DCBDRO COc1cc(C(=O)NC[C@H]2C[NH2+]CCN2C)ccc1[N+](=O)[O-] ZINC000394076232 262162095 /nfs/dbraw/zinc/16/20/95/262162095.db2.gz PWSAPQMJPPIVHL-LLVKDONJSA-N 1 0 308.338 0.237 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419156873 262314159 /nfs/dbraw/zinc/31/41/59/262314159.db2.gz VYKJIUMFLGZEKF-NSHDSACASA-N 1 0 322.365 0.840 20 5 DCBDRO C[NH2+]C[C@@H](C)CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-] ZINC000420186886 262366452 /nfs/dbraw/zinc/36/64/52/262366452.db2.gz CTHZXJNQLIOBOP-MRVPVSSYSA-N 1 0 302.356 0.510 20 5 DCBDRO [NH3+][C@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420272323 262368420 /nfs/dbraw/zinc/36/84/20/262368420.db2.gz LUUJKXSRGORUKO-NSHDSACASA-N 1 0 313.379 0.792 20 5 DCBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCO[C@H](C[NH3+])C1 ZINC000420393448 262373148 /nfs/dbraw/zinc/37/31/48/262373148.db2.gz QOIAZQGBDTYMTK-BXUZGUMPSA-N 1 0 322.365 0.971 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)c2cccc(F)c2)c1 ZINC000359626793 271134806 /nfs/dbraw/zinc/13/48/06/271134806.db2.gz RLWFQHFQHLXNTB-ZIAGYGMSSA-N 1 0 324.312 0.615 20 5 DCBDRO COC(=O)c1cc(C(=O)N[C@@H](C[NH3+])C2CC2)cc([N+](=O)[O-])c1 ZINC000422857935 271389939 /nfs/dbraw/zinc/38/99/39/271389939.db2.gz HREGRYZABHCZRY-LBPRGKRZSA-N 1 0 307.306 0.849 20 5 DCBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC[C@H]1O ZINC000453359460 271929302 /nfs/dbraw/zinc/92/93/02/271929302.db2.gz SRLDCFASOWBTCR-ZWKOPEQDSA-N 1 0 309.322 0.661 20 5 DCBDRO C[N@@H+]1CC[C@@](O)(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000492557672 272135417 /nfs/dbraw/zinc/13/54/17/272135417.db2.gz DBGKVTULNMSUIN-IJVDHGTGSA-N 1 0 305.334 0.791 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000503531478 272389935 /nfs/dbraw/zinc/38/99/35/272389935.db2.gz ZMUWJSJUBXIJDZ-HBNTYKKESA-N 1 0 320.296 0.902 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000522273278 272550950 /nfs/dbraw/zinc/55/09/50/272550950.db2.gz OHOJFVNGRZCRPV-UHFFFAOYSA-N 1 0 309.370 0.253 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000287771419 274004662 /nfs/dbraw/zinc/00/46/62/274004662.db2.gz NTJYGOYZDLJNEW-AOOOYVTPSA-N 1 0 306.322 0.774 20 5 DCBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000282482089 276138797 /nfs/dbraw/zinc/13/87/97/276138797.db2.gz VLGPPHXJFCBPJY-GXTWGEPZSA-N 1 0 323.349 0.545 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])cnc1N ZINC000352425290 277509477 /nfs/dbraw/zinc/50/94/77/277509477.db2.gz YBNDBLBESLZSDX-UHFFFAOYSA-N 1 0 311.342 0.222 20 5 DCBDRO CN(CCCN1CC[NH+](C)CC1)C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000548414065 288140792 /nfs/dbraw/zinc/14/07/92/288140792.db2.gz KRQAXSRFVCNFDD-UHFFFAOYSA-N 1 0 310.358 0.027 20 5 DCBDRO C[C@H]1CCN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000415853596 279696663 /nfs/dbraw/zinc/69/66/63/279696663.db2.gz UKHMWUQAEIAALR-WDEREUQCSA-N 1 0 320.349 0.977 20 5 DCBDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000563160440 288642166 /nfs/dbraw/zinc/64/21/66/288642166.db2.gz MWPKSXYFELXLNF-RULNRJAQSA-N 1 0 308.338 0.259 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H](CO)CC2CCCC2)c1 ZINC000564978451 288801177 /nfs/dbraw/zinc/80/11/77/288801177.db2.gz NCQKNXFRJHNYMF-JSGCOSHPSA-N 1 0 312.370 0.683 20 5 DCBDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3cc([N+](=O)[O-])c[nH]c3=O)C[C@@H]21 ZINC000570569935 332775380 /nfs/dbraw/zinc/77/53/80/332775380.db2.gz MBVXDUWDHAZTNO-JFUSQASVSA-N 1 0 306.322 0.895 20 5 DCBDRO CC(C)(CO)CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393380769 337094446 /nfs/dbraw/zinc/09/44/46/337094446.db2.gz QEDZHGGCALAEMI-LBPRGKRZSA-N 1 0 300.359 0.541 20 5 DCBDRO CC1(C)C[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000582721027 337124974 /nfs/dbraw/zinc/12/49/74/337124974.db2.gz RIERNVOTXKRXQO-AAEUAGOBSA-N 1 0 312.370 0.947 20 5 DCBDRO COC(=O)[C@@H](O)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582785934 337161845 /nfs/dbraw/zinc/16/18/45/337161845.db2.gz QRZOMYXATFTKKT-NSHDSACASA-N 1 0 311.294 0.047 20 5 DCBDRO C[C@@H]1C[C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])CC[NH2+]1 ZINC000575922999 341814843 /nfs/dbraw/zinc/81/48/43/341814843.db2.gz SDGVQNBNDPZGOZ-BDAKNGLRSA-N 1 0 300.340 0.409 20 5 DCBDRO CCN(CCC[NH+](C)C)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000189970535 521006693 /nfs/dbraw/zinc/00/66/93/521006693.db2.gz HVMQEYFYDFJRGD-UHFFFAOYSA-N 1 0 312.374 0.775 20 5 DCBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CNC(=O)C[NH3+] ZINC000237256296 523184261 /nfs/dbraw/zinc/18/42/61/523184261.db2.gz NSJSCNRIGAOWPB-UHFFFAOYSA-N 1 0 314.729 0.282 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000126196183 525346689 /nfs/dbraw/zinc/34/66/89/525346689.db2.gz URLSTZFOMXDTSC-MWLCHTKSSA-N 1 0 306.322 0.191 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)NCC[N@@H+]1CCCOCC1 ZINC000189470446 526670809 /nfs/dbraw/zinc/67/08/09/526670809.db2.gz SGVHQTONUAVDQP-UHFFFAOYSA-N 1 0 311.342 0.020 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000154532412 527397056 /nfs/dbraw/zinc/39/70/56/527397056.db2.gz WACFRYGZFFVPNY-UHFFFAOYSA-N 1 0 322.369 0.663 20 5 DCBDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)C1 ZINC000430617920 536375096 /nfs/dbraw/zinc/37/50/96/536375096.db2.gz QBAQWJGCOSKQDL-SECBINFHSA-N 1 0 322.321 0.556 20 5 DCBDRO CCc1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000567109126 546294403 /nfs/dbraw/zinc/29/44/03/546294403.db2.gz UTNVDHBNLGRCTA-ZDUSSCGKSA-N 1 0 306.366 0.872 20 5 DCBDRO C[NH+](C)[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736764308 598601875 /nfs/dbraw/zinc/60/18/75/598601875.db2.gz OPMNXSAAPWHKAK-MRVPVSSYSA-N 1 0 304.314 0.310 20 5 DCBDRO C[N@@H+]1CCC[C@@H]1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000821625437 606702850 /nfs/dbraw/zinc/70/28/50/606702850.db2.gz NSJJIIJKSAQRAJ-MRVPVSSYSA-N 1 0 304.314 0.676 20 5 DCBDRO C[NH+]1CCC(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC1 ZINC000821622119 606706861 /nfs/dbraw/zinc/70/68/61/606706861.db2.gz SKKHZAKDIXGJGP-UHFFFAOYSA-N 1 0 318.341 0.924 20 5 DCBDRO C[NH+](C)[C@@H]1CCN(c2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821583335 606707029 /nfs/dbraw/zinc/70/70/29/606707029.db2.gz RLJZMLSURDZSNO-MRVPVSSYSA-N 1 0 304.314 0.310 20 5 DCBDRO C[N@@H+]1CCC[C@H](CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])C1 ZINC000821623997 606709723 /nfs/dbraw/zinc/70/97/23/606709723.db2.gz XDYJFXNMGWIZIT-SECBINFHSA-N 1 0 318.341 0.924 20 5 DCBDRO Cc1noc(C)c1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022061723 658811428 /nfs/dbraw/zinc/81/14/28/658811428.db2.gz UCQQJLMVLVGTFO-LSCVPOLPSA-N 1 0 308.338 0.693 20 5 DCBDRO Cc1cnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001022063711 658815106 /nfs/dbraw/zinc/81/51/06/658815106.db2.gz IMDAVWBTRQZRAA-LYIQGSDWSA-N 1 0 305.338 0.187 20 5 DCBDRO Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)sn1 ZINC001022063432 658819127 /nfs/dbraw/zinc/81/91/27/658819127.db2.gz BLLYUNAJBRUKKM-RBLKWDMZSA-N 1 0 310.379 0.854 20 5 DCBDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000893752522 661404756 /nfs/dbraw/zinc/40/47/56/661404756.db2.gz MOZBRLFXILNFQN-PWSUYJOCSA-N 1 0 308.342 0.137 20 5 DCBDRO COC(=O)[C@@H]1CN(C(=O)CCC(C)(C)[N+](=O)[O-])CC[N@H+](C)C1 ZINC000840500775 661655500 /nfs/dbraw/zinc/65/55/00/661655500.db2.gz XFZAURGWIVMELN-NSHDSACASA-N 1 0 315.370 0.385 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)CCO ZINC000925008094 661873676 /nfs/dbraw/zinc/87/36/76/661873676.db2.gz ALZNIDGMYJLDCJ-UHFFFAOYSA-N 1 0 310.354 0.315 20 5 DCBDRO O=C(NCC1C[NH2+]C1)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000261944464 661900905 /nfs/dbraw/zinc/90/09/05/661900905.db2.gz OEEAAYBJHHYZPW-UHFFFAOYSA-N 1 0 302.290 0.798 20 5 DCBDRO CC(C)(CCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[N+](=O)[O-] ZINC000889751724 662031982 /nfs/dbraw/zinc/03/19/82/662031982.db2.gz RYFGEPAKMUAIPO-OLZOCXBDSA-N 1 0 313.398 0.880 20 5 DCBDRO C[NH+](C)C[C@@]1(O)CCN(c2nc3ccccn3c2[N+](=O)[O-])C1 ZINC000895008939 662043832 /nfs/dbraw/zinc/04/38/32/662043832.db2.gz KDNMODNRGHWBFS-AWEZNQCLSA-N 1 0 305.338 0.745 20 5 DCBDRO CCc1nn(C)c(N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000895247494 662156029 /nfs/dbraw/zinc/15/60/29/662156029.db2.gz UTZBDABLKWUGQE-CMPLNLGQSA-N 1 0 310.402 0.937 20 5 DCBDRO Cc1cc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)ncc1[N+](=O)[O-] ZINC000262358355 662346764 /nfs/dbraw/zinc/34/67/64/662346764.db2.gz WDGCOTHUUYPPRX-LLVKDONJSA-N 1 0 307.354 0.590 20 5 DCBDRO C[N@H+](CCO)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000899725706 663181780 /nfs/dbraw/zinc/18/17/80/663181780.db2.gz CSRKMIVJXLBVQF-UHFFFAOYSA-N 1 0 301.730 0.902 20 5 DCBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+](C)CCO)c1 ZINC000899727554 663182633 /nfs/dbraw/zinc/18/26/33/663182633.db2.gz DQOUUAGOVLQOIL-UHFFFAOYSA-N 1 0 313.379 0.971 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913285210 664298143 /nfs/dbraw/zinc/29/81/43/664298143.db2.gz RWCUWLVVEQQFKE-ZIAGYGMSSA-N 1 0 307.354 0.742 20 5 DCBDRO CO[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000922616458 666495859 /nfs/dbraw/zinc/49/58/59/666495859.db2.gz XPXJLAGTVOFWQA-CYBMUJFWSA-N 1 0 314.363 0.888 20 5 DCBDRO Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC000996428726 666790378 /nfs/dbraw/zinc/79/03/78/666790378.db2.gz GYYIKIUMOOCEGH-CHWSQXEVSA-N 1 0 308.338 0.729 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996428387 666790649 /nfs/dbraw/zinc/79/06/49/666790649.db2.gz ANXZNLPMHZTCSO-GHMZBOCLSA-N 1 0 310.379 0.889 20 5 DCBDRO Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000996430072 666791012 /nfs/dbraw/zinc/79/10/12/666791012.db2.gz ZGGOKDBGWVDYOM-CHWSQXEVSA-N 1 0 308.338 0.729 20 5 DCBDRO Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)o1 ZINC000996429284 666791065 /nfs/dbraw/zinc/79/10/65/666791065.db2.gz NYPZWYHFPRLWQI-VXGBXAGGSA-N 1 0 308.338 0.729 20 5 DCBDRO Nc1ccc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000861202667 666910284 /nfs/dbraw/zinc/91/02/84/666910284.db2.gz NKANXMOVVCJEME-SNVBAGLBSA-N 1 0 309.326 0.365 20 5 DCBDRO CO[C@H]1C[N@H+](C)[C@](C)(COC(=O)c2nn(C)cc2[N+](=O)[O-])C1 ZINC000861349317 666920264 /nfs/dbraw/zinc/92/02/64/666920264.db2.gz RXELYKCYTNANGA-RNCFNFMXSA-N 1 0 312.326 0.594 20 5 DCBDRO O=C1OC[C@@]2(C[NH2+]Cc3ccccc3[N+](=O)[O-])COCCN12 ZINC000865768651 667344798 /nfs/dbraw/zinc/34/47/98/667344798.db2.gz NPUZFUKSHDSEDX-CQSZACIVSA-N 1 0 307.306 0.906 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000866790013 667399133 /nfs/dbraw/zinc/39/91/33/667399133.db2.gz PBIFATOLBADYBX-YUMQZZPRSA-N 1 0 301.299 0.469 20 5 DCBDRO CN1CC[NH+](C2CCN(Cn3cc([N+](=O)[O-])cn3)CC2)CC1 ZINC000872732512 667934373 /nfs/dbraw/zinc/93/43/73/667934373.db2.gz WMXCIDKLNUDRJH-UHFFFAOYSA-N 1 0 308.386 0.461 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC000756817968 668101698 /nfs/dbraw/zinc/10/16/98/668101698.db2.gz JEYHYOJVSXJSNA-MNOVXSKESA-N 1 0 323.353 0.404 20 5 DCBDRO C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccn1 ZINC000839716186 668136515 /nfs/dbraw/zinc/13/65/15/668136515.db2.gz MQTYRZSZZCTADN-VXGBXAGGSA-N 1 0 308.338 0.303 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874846274 668226157 /nfs/dbraw/zinc/22/61/57/668226157.db2.gz XQYWVTIWQYWREM-WDEREUQCSA-N 1 0 307.354 0.945 20 5 DCBDRO C[N@@H+]1CCCN(C(=O)[C@](C)(N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000876805854 668514599 /nfs/dbraw/zinc/51/45/99/668514599.db2.gz GLWIDVBQYMEBFF-OAHLLOKOSA-N 1 0 306.366 0.933 20 5 DCBDRO C[C@H](CNC(=O)NCCn1cc([N+](=O)[O-])cn1)[NH+]1CCCCC1 ZINC000768525654 668613601 /nfs/dbraw/zinc/61/36/01/668613601.db2.gz WXZSZJKDYCLIBR-GFCCVEGCSA-N 1 0 324.385 0.965 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](CO)C1CC1 ZINC000771803237 668752424 /nfs/dbraw/zinc/75/24/24/668752424.db2.gz AVPMLXNQNSBFIS-GFCCVEGCSA-N 1 0 309.322 0.902 20 5 DCBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)C1(O)CCOCC1)C2 ZINC000930099485 668956606 /nfs/dbraw/zinc/95/66/06/668956606.db2.gz LQDIJTLXCBLQHV-HNNXBMFYSA-N 1 0 322.361 0.855 20 5 DCBDRO O=C1C[C@]2(CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)CN1 ZINC000789355994 669488563 /nfs/dbraw/zinc/48/85/63/669488563.db2.gz WZFXQWFKXIGQBP-UKRRQHHQSA-N 1 0 305.334 0.840 20 5 DCBDRO Cn1cc(CN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c([N+](=O)[O-])n1 ZINC000934277054 669590236 /nfs/dbraw/zinc/59/02/36/669590236.db2.gz YEUZKZKGOQKBGN-CHWSQXEVSA-N 1 0 309.370 0.359 20 5 DCBDRO CNC(=O)[C@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000808048397 670387145 /nfs/dbraw/zinc/38/71/45/670387145.db2.gz SCLQYPBQKFYALV-CYBMUJFWSA-N 1 0 304.306 0.392 20 5 DCBDRO NC(=O)c1ccnc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1[N+](=O)[O-] ZINC000811782107 670548896 /nfs/dbraw/zinc/54/88/96/670548896.db2.gz GMROMKFQUVJJIQ-VHSXEESVSA-N 1 0 321.337 0.364 20 5 DCBDRO NC(=O)c1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000817118359 670896843 /nfs/dbraw/zinc/89/68/43/670896843.db2.gz TXBHBPFKINABPR-GHMZBOCLSA-N 1 0 320.349 0.969 20 5 DCBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818362420 671008232 /nfs/dbraw/zinc/00/82/32/671008232.db2.gz WGDXUPLRHAGKTB-LDYMZIIASA-N 1 0 306.322 0.975 20 5 DCBDRO CCN(CC[NH3+])S(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000858618677 671022052 /nfs/dbraw/zinc/02/20/52/671022052.db2.gz COJSDYKZHDNKKW-UHFFFAOYSA-N 1 0 303.340 0.573 20 5 DCBDRO C[C@H]([NH3+])CN(C)S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000858639549 671025196 /nfs/dbraw/zinc/02/51/96/671025196.db2.gz COLXKKVNPNSOSJ-JTQLQIEISA-N 1 0 301.368 0.746 20 5 DCBDRO [NH3+]CCc1ccc(CNC(=O)Cn2ccc([N+](=O)[O-])n2)cc1 ZINC000818533957 671028306 /nfs/dbraw/zinc/02/83/06/671028306.db2.gz YCERXQDIHUMAGY-UHFFFAOYSA-N 1 0 303.322 0.609 20 5 DCBDRO O=C1CNC(=O)N1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819040376 671087905 /nfs/dbraw/zinc/08/79/05/671087905.db2.gz JUYIHQWKKMDOJT-LBPRGKRZSA-N 1 0 322.321 0.160 20 5 DCBDRO O=C(NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840372863 671092224 /nfs/dbraw/zinc/09/22/24/671092224.db2.gz SJMRNQGVAQATJU-IIAWOOMASA-N 1 0 319.361 0.405 20 5 DCBDRO Cn1nncc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000819314576 671111412 /nfs/dbraw/zinc/11/14/12/671111412.db2.gz DSJLUQLDLJYQRB-UHFFFAOYSA-N 1 0 304.310 0.842 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852819281 671166023 /nfs/dbraw/zinc/16/60/23/671166023.db2.gz ADZVJWDXJPLHFI-SNVBAGLBSA-N 1 0 308.294 0.323 20 5 DCBDRO [NH3+]C[C@H]1CC(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)=NO1 ZINC000852853934 671174865 /nfs/dbraw/zinc/17/48/65/671174865.db2.gz XEOVQTXBHBKILK-SECBINFHSA-N 1 0 312.713 0.968 20 5 DCBDRO CC[NH+]1CCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC000821277799 671267887 /nfs/dbraw/zinc/26/78/87/671267887.db2.gz ZJQJJXDIXTYPRI-UHFFFAOYSA-N 1 0 303.326 0.917 20 5 DCBDRO O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000840461094 671269386 /nfs/dbraw/zinc/26/93/86/671269386.db2.gz BMROTAKGMHFDOQ-BFHYXJOUSA-N 1 0 305.334 0.857 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000828610491 671556955 /nfs/dbraw/zinc/55/69/55/671556955.db2.gz GYALUHOFBSLWQX-ZDUSSCGKSA-N 1 0 311.338 0.323 20 5 DCBDRO Cc1cccc([C@H](O)C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843090325 672060459 /nfs/dbraw/zinc/06/04/59/672060459.db2.gz WSYILIXDAWKRIT-HUUCEWRRSA-N 1 0 320.349 0.784 20 5 DCBDRO Cn1nccc1[C@@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843106526 672062384 /nfs/dbraw/zinc/06/23/84/672062384.db2.gz BFLNNPAHYAQLNJ-OCCSQVGLSA-N 1 0 306.322 0.685 20 5 DCBDRO O=[N+]([O-])c1ccc(Cc2noc(C[C@@H]3C[NH2+]CCO3)n2)nc1 ZINC000843191951 672069560 /nfs/dbraw/zinc/06/95/60/672069560.db2.gz PFIIAAVFGBYTDS-LLVKDONJSA-N 1 0 305.294 0.495 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)CCO1 ZINC000843357714 672087204 /nfs/dbraw/zinc/08/72/04/672087204.db2.gz VHIYKPHUSCRYOI-YGRLFVJLSA-N 1 0 322.365 0.849 20 5 DCBDRO CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])Cc1cnnn1C ZINC001567641478 1160444937 /nfs/dbraw/zinc/44/49/37/1160444937.db2.gz HSBHDVVZFJDCMT-CHWSQXEVSA-N 1 0 324.385 0.197 20 5 DCBDRO CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CCOCC1 ZINC001570301519 1161554542 /nfs/dbraw/zinc/55/45/42/1161554542.db2.gz ZUBSVDZYRKOPMR-CHWSQXEVSA-N 1 0 313.398 0.953 20 5 DCBDRO O=[N+]([O-])c1cccc(F)c1OS(=O)(=O)C[C@@H]1C[NH2+]CCO1 ZINC001574440766 1163726289 /nfs/dbraw/zinc/72/62/89/1163726289.db2.gz IICMAXJINJMAPE-QMMMGPOBSA-N 1 0 320.298 0.431 20 5 DCBDRO CC(C)Oc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)ccc1[N+](=O)[O-] ZINC001575798416 1164155585 /nfs/dbraw/zinc/15/55/85/1164155585.db2.gz JBYCNTFKHMPFFG-ZYHUDNBSSA-N 1 0 309.322 0.445 20 5 DCBDRO C[C@@]([NH3+])(C(=O)NCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC001576082183 1164234327 /nfs/dbraw/zinc/23/43/27/1164234327.db2.gz UXOMOMFRWFVZPF-ZFWWWQNUSA-N 1 0 323.349 0.690 20 5 DCBDRO C[C@H](NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[NH2+]CCO1 ZINC001576251518 1164279492 /nfs/dbraw/zinc/27/94/92/1164279492.db2.gz MFFWIKNTXZPMNE-ZANVPECISA-N 1 0 305.338 0.938 20 5 DCBDRO O=C(NC1(C[NH2+]CCc2cn[nH]n2)CCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001577970612 1164868141 /nfs/dbraw/zinc/86/81/41/1164868141.db2.gz IEHUKXKYKYCKFE-VXGBXAGGSA-N 1 0 322.369 0.031 20 5 DCBDRO COCC1(CNC(=O)CCC(C)(C)[N+](=O)[O-])CC[NH2+]CC1 ZINC001578982052 1165177884 /nfs/dbraw/zinc/17/78/84/1165177884.db2.gz YKDOSFWCHXDPKN-UHFFFAOYSA-N 1 0 301.387 0.954 20 5 DCBDRO C[N@H+](CCO)CCNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC001579226873 1165245118 /nfs/dbraw/zinc/24/51/18/1165245118.db2.gz GIJLXSVWDNSUNO-UHFFFAOYSA-N 1 0 307.314 0.111 20 5 DCBDRO Cn1c2ccccc2c(N2CCC23C[NH2+]C3)c([N+](=O)[O-])c1=O ZINC001579947702 1165446331 /nfs/dbraw/zinc/44/63/31/1165446331.db2.gz PRHFLTVHPAJBMN-UHFFFAOYSA-N 1 0 300.318 0.999 20 5 DCBDRO O=C(OC1C[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001580801660 1165720523 /nfs/dbraw/zinc/72/05/23/1165720523.db2.gz ZMIPOTJROHFZKV-UHFFFAOYSA-N 1 0 306.322 0.825 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@]23CC[NH2+]C3)nc1 ZINC001580875553 1165748208 /nfs/dbraw/zinc/74/82/08/1165748208.db2.gz MDWURMAHUXFETF-LBPRGKRZSA-N 1 0 312.351 0.506 20 5 DCBDRO COc1cccc(C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC[NH2+]2)c1 ZINC001586362809 1166493615 /nfs/dbraw/zinc/49/36/15/1166493615.db2.gz FVPHHDLWBSGWLI-BPLDGKMQSA-N 1 0 319.361 0.703 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)c1ccnc(-n2ccc([N+](=O)[O-])n2)c1 ZINC001587281672 1166506534 /nfs/dbraw/zinc/50/65/34/1166506534.db2.gz HUJJDYODPXFLBF-UHFFFAOYSA-N 1 0 318.337 0.809 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001593471372 1167861295 /nfs/dbraw/zinc/86/12/95/1167861295.db2.gz PYWCZFZXCGWVNB-VIFPVBQESA-N 1 0 316.325 0.819 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@@H]1C[NH+]2CCC1CC2 ZINC001603084187 1169244913 /nfs/dbraw/zinc/24/49/13/1169244913.db2.gz COISLMDDCGGQNQ-GFCCVEGCSA-N 1 0 307.354 0.558 20 5 DCBDRO C[NH+](C)CC1CN(c2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])C1 ZINC001604680020 1169653612 /nfs/dbraw/zinc/65/36/12/1169653612.db2.gz FVPBDYPMFXYXHC-UHFFFAOYSA-N 1 0 303.326 0.773 20 5 DCBDRO CC1(C)C[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@@H]1O ZINC001609146462 1170826081 /nfs/dbraw/zinc/82/60/81/1170826081.db2.gz ILRQYYBDCVXTRS-LBPRGKRZSA-N 1 0 318.337 0.978 20 5 DCBDRO C[N@@H+]1CCCN(c2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)CC1 ZINC001609285470 1170912392 /nfs/dbraw/zinc/91/23/92/1170912392.db2.gz XZSIGEJSHSVMDC-UHFFFAOYSA-N 1 0 303.326 0.917 20 5 DCBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001609405144 1170968362 /nfs/dbraw/zinc/96/83/62/1170968362.db2.gz XJXXSNINWYYTKI-NXEZZACHSA-N 1 0 315.337 0.739 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC001609602521 1171041144 /nfs/dbraw/zinc/04/11/44/1171041144.db2.gz RQNVUHQTYDFIDF-NXEZZACHSA-N 1 0 315.337 0.426 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(c3ncc([N+](=O)[O-])cc3C(N)=O)CC[C@H]21 ZINC001612770334 1171364240 /nfs/dbraw/zinc/36/42/40/1171364240.db2.gz ZFEPJTWAOQFZEY-JOYOIKCWSA-N 1 0 305.338 0.619 20 5 DCBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@@H]1C[N@H+](C)CCN1C ZINC001618099949 1171395147 /nfs/dbraw/zinc/39/51/47/1171395147.db2.gz QPGQJCJKHUVBPZ-CABZTGNLSA-N 1 0 323.353 0.060 20 5 DCBDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001621431606 1171410018 /nfs/dbraw/zinc/41/00/18/1171410018.db2.gz RGQBEYPDYQTHMS-CHCPCTANSA-N 1 0 310.310 0.415 20 5 DCBDRO CC[NH+]1CCN([C@@H](C)CNC(=O)c2c[nH]nc2[N+](=O)[O-])CC1 ZINC001628312309 1171524547 /nfs/dbraw/zinc/52/45/47/1171524547.db2.gz HLXJPCLFVXYIAD-JTQLQIEISA-N 1 0 310.358 0.074 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCNc1ccccc1[N+](=O)[O-] ZINC001628764006 1171536055 /nfs/dbraw/zinc/53/60/55/1171536055.db2.gz PVYSHTSCJSOLAH-IAQYHMDHSA-N 1 0 322.365 0.578 20 5 DCBDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cnc(N)c([N+](=O)[O-])c1 ZINC001637266343 1171761902 /nfs/dbraw/zinc/76/19/02/1171761902.db2.gz OFOARTAKMAVPMX-QWRGUYRKSA-N 1 0 305.338 0.881 20 5 DCBDRO Cc1nc(N(C)CCCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC001642282444 1171941015 /nfs/dbraw/zinc/94/10/15/1171941015.db2.gz PWXLCSOJAMJCQL-UHFFFAOYSA-N 1 0 308.386 0.767 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC001646089724 1172248030 /nfs/dbraw/zinc/24/80/30/1172248030.db2.gz NYKOCSJBPWEFIC-LLVKDONJSA-N 1 0 307.306 0.606 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2C[C@H](CO)[C@@H](CCO)C2)cc1 ZINC001648634894 1173077877 /nfs/dbraw/zinc/07/78/77/1173077877.db2.gz KSSICFLYQUBPLM-GZBFAFLISA-N 1 0 310.350 0.551 20 5 DCBDRO CCOC(=O)[C@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001654956914 1173813486 /nfs/dbraw/zinc/81/34/86/1173813486.db2.gz XUVJQOMPMAWMHH-CMPLNLGQSA-N 1 0 312.326 0.037 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@@H](c3cnccn3)C2)c1 ZINC001655712532 1173826388 /nfs/dbraw/zinc/82/63/88/1173826388.db2.gz HJMVMCIWFGQPDK-DGCLKSJQSA-N 1 0 318.337 0.432 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CC(C(N)=O)=NO1 ZINC001656200401 1173851678 /nfs/dbraw/zinc/85/16/78/1173851678.db2.gz SKYWWLLKFPKVRN-JTQLQIEISA-N 1 0 306.322 0.931 20 5 DCBDRO O=C(NCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)c1ccn[nH]1 ZINC001657527349 1173913944 /nfs/dbraw/zinc/91/39/44/1173913944.db2.gz VTUHGSXRIGPFFR-UHFFFAOYSA-N 1 0 319.325 0.238 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCOCCO)CC2)cn1 ZINC001659182267 1173929548 /nfs/dbraw/zinc/92/95/48/1173929548.db2.gz NRTXSDTYIJQOSK-UHFFFAOYSA-N 1 0 324.381 0.947 20 5 DCBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COC[C@@H]1O ZINC001660449648 1173994777 /nfs/dbraw/zinc/99/47/77/1173994777.db2.gz SRLDCFASOWBTCR-BIMULSAOSA-N 1 0 309.322 0.661 20 5 DCBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cnon1 ZINC001664260525 1174414730 /nfs/dbraw/zinc/41/47/30/1174414730.db2.gz ODTCXEUXCIKDIN-UHFFFAOYSA-N 1 0 305.294 0.840 20 5 DCBDRO CCN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1ccon1 ZINC001668372178 1174787507 /nfs/dbraw/zinc/78/75/07/1174787507.db2.gz FIQDRDCUHMGCMU-UHFFFAOYSA-N 1 0 322.325 0.568 20 5 DCBDRO NC(=O)C(=O)NCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001673205675 1175177560 /nfs/dbraw/zinc/17/75/60/1175177560.db2.gz FBZFCEPPYRYXRU-UHFFFAOYSA-N 1 0 306.322 0.209 20 5 DCBDRO CC(C)C[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001692130100 1177421624 /nfs/dbraw/zinc/42/16/24/1177421624.db2.gz DEOREFPCUXQUJY-GHMZBOCLSA-N 1 0 323.353 0.209 20 5 DCBDRO C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCOCC(F)(F)F ZINC001713451527 1180831403 /nfs/dbraw/zinc/83/14/03/1180831403.db2.gz KAZMLRUTNQYAKX-RKDXNWHRSA-N 1 0 313.276 0.279 20 5 DCBDRO CN(CC[N@H+](C)CCc1ccnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001715820152 1182027348 /nfs/dbraw/zinc/02/73/48/1182027348.db2.gz SGSKCRPSLIABAB-CHWSQXEVSA-N 1 0 309.370 0.018 20 5 DCBDRO COc1ncccc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001732848776 1186011216 /nfs/dbraw/zinc/01/12/16/1186011216.db2.gz NPEZJAVRONAPHE-XCUNLHGCSA-N 1 0 320.349 0.517 20 5 DCBDRO CN(CCC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)c1cn[nH]c1 ZINC001733090195 1186132410 /nfs/dbraw/zinc/13/24/10/1186132410.db2.gz XWVBCPKMSINTCS-UHFFFAOYSA-N 1 0 321.341 0.303 20 5 DCBDRO NC(=O)CC(=O)NCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001754979113 1188985670 /nfs/dbraw/zinc/98/56/70/1188985670.db2.gz DNMSAIXHEZSNFF-UHFFFAOYSA-N 1 0 320.349 0.599 20 5 DCBDRO COC(=O)c1cnc(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000357711393 719383991 /nfs/dbraw/zinc/38/39/91/719383991.db2.gz UHNQIHOAVRIXAR-NWDGAFQWSA-N 1 0 322.321 0.296 20 5 DCBDRO C[C@@H]1CO[C@@H]2CN(c3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)C[C@H]12 ZINC001167171247 747008771 /nfs/dbraw/zinc/00/87/71/747008771.db2.gz FWZJWARIIRRCAG-HLUHBDAQSA-N 1 0 305.338 0.543 20 5 DCBDRO COC(=O)c1cnc(N2C[C@H]3COC[C@@H](C2)C3[NH3+])c([N+](=O)[O-])c1 ZINC001167185589 747013862 /nfs/dbraw/zinc/01/38/62/747013862.db2.gz HQYOOBRLCBDZOE-DHHPTOIESA-N 1 0 322.321 0.186 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CCC2SCCS2)c1 ZINC000693777366 747462559 /nfs/dbraw/zinc/46/25/59/747462559.db2.gz ONOXSNZBNWFNJR-JTQLQIEISA-N 1 0 318.424 0.938 20 5 DCBDRO CCOc1cnc(-n2c(C)ncc(C[NH3+])c2=N)c([N+](=O)[O-])c1 ZINC001167672703 747498602 /nfs/dbraw/zinc/49/86/02/747498602.db2.gz UMUGZIBFRSAWOD-UHFFFAOYSA-N 1 0 304.310 0.821 20 5 DCBDRO Cn1nncc1C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001126540758 748980947 /nfs/dbraw/zinc/98/09/47/748980947.db2.gz GYYRSFQDSWPEIN-UHFFFAOYSA-N 1 0 304.310 0.243 20 5 DCBDRO C[NH+](C)CCC(=O)N(CCO)CCNc1ccccc1[N+](=O)[O-] ZINC001111553754 761961044 /nfs/dbraw/zinc/96/10/44/761961044.db2.gz SBHRNPUKFUMHPJ-UHFFFAOYSA-N 1 0 324.381 0.779 20 5 DCBDRO C[NH+](C)CCOc1cc(NC2(CO)COC2)ccc1[N+](=O)[O-] ZINC001168180290 749593799 /nfs/dbraw/zinc/59/37/99/749593799.db2.gz BHPRCUPJJORTBH-UHFFFAOYSA-N 1 0 311.338 0.708 20 5 DCBDRO CCc1cccc(OCC[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1 ZINC001126943141 750155703 /nfs/dbraw/zinc/15/57/03/750155703.db2.gz MQBARYYKLTXEQD-HUUCEWRRSA-N 1 0 321.377 0.999 20 5 DCBDRO Cn1ccc(CC(=O)NCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC001126966635 750284586 /nfs/dbraw/zinc/28/45/86/750284586.db2.gz WCFSHHINIVVBFM-UHFFFAOYSA-N 1 0 323.378 0.838 20 5 DCBDRO CN1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])c3c2CNC3=O)CC1 ZINC001168746395 754082541 /nfs/dbraw/zinc/08/25/41/754082541.db2.gz NOZAICINNAJKET-UHFFFAOYSA-N 1 0 318.337 0.432 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1-n1cc(CC[NH3+])cn1 ZINC001168947327 760519986 /nfs/dbraw/zinc/51/99/86/760519986.db2.gz XKSTWURDJUEPQL-UHFFFAOYSA-N 1 0 305.294 0.772 20 5 DCBDRO NC(=O)[C@H](Cc1ccc(O)cc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168975809 760537693 /nfs/dbraw/zinc/53/76/93/760537693.db2.gz XHMSSISJLOHNSZ-SCRDCRAPSA-N 1 0 307.350 0.824 20 5 DCBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@](O)(C(F)(F)F)C[C@H]2CO)C1 ZINC001169013446 760544404 /nfs/dbraw/zinc/54/44/04/760544404.db2.gz VHHBWXQVFVMWBJ-NAKRPEOUSA-N 1 0 312.288 0.792 20 5 DCBDRO COc1nc(SC)nc(NCCN(C)CC[NH3+])c1[N+](=O)[O-] ZINC001170498574 763358276 /nfs/dbraw/zinc/35/82/76/763358276.db2.gz UXMBUJBLWXLFKS-UHFFFAOYSA-N 1 0 316.387 0.418 20 5 DCBDRO COC(=O)c1c(C)c([N+](=O)[O-])ccc1NCCN(C)CC[NH3+] ZINC001170504145 763386732 /nfs/dbraw/zinc/38/67/32/763386732.db2.gz ASGACNQJJGIELU-UHFFFAOYSA-N 1 0 310.354 0.992 20 5 DCBDRO Cc1cnc(N(C)CCNC(=O)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001100299726 763470968 /nfs/dbraw/zinc/47/09/68/763470968.db2.gz VIPFYVDRQIVPBF-UHFFFAOYSA-N 1 0 309.370 0.802 20 5 DCBDRO CN(CCNC(=O)CC[NH+](C)C)c1cc[nH]c(=O)c1[N+](=O)[O-] ZINC001100299775 763471354 /nfs/dbraw/zinc/47/13/54/763471354.db2.gz XBBINLOZBQGWCK-UHFFFAOYSA-N 1 0 311.342 0.200 20 5 DCBDRO Cc1nn[nH]c1C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001132209608 764302346 /nfs/dbraw/zinc/30/23/46/764302346.db2.gz IROKRGRQLFGPKH-UHFFFAOYSA-N 1 0 304.310 0.541 20 5 DCBDRO [NH3+][C@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])CC12COC2 ZINC001158762438 764794084 /nfs/dbraw/zinc/79/40/84/764794084.db2.gz NJBFVTDUJAQUPI-YFKPBYRVSA-N 1 0 320.136 0.856 20 5 DCBDRO CC(=O)N1CCc2cc(N[C@@H]3C[NH2+]C[C@@H]3CO)cc([N+](=O)[O-])c21 ZINC001170778730 765728810 /nfs/dbraw/zinc/72/88/10/765728810.db2.gz ARKJWELWSRSNOE-DGCLKSJQSA-N 1 0 320.349 0.496 20 5 DCBDRO CCC(=O)NCC(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001124872523 768319085 /nfs/dbraw/zinc/31/90/85/768319085.db2.gz IVUSGFMOGLKSAZ-UHFFFAOYSA-N 1 0 308.338 0.327 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC001116487214 765876066 /nfs/dbraw/zinc/87/60/66/765876066.db2.gz XMWLQSUMXAWFKX-MNOVXSKESA-N 1 0 307.354 0.993 20 5 DCBDRO Cc1n[nH]c(C)c1C(=O)NCCNCc1c([N+](=O)[O-])ncn1C ZINC001135421044 765933631 /nfs/dbraw/zinc/93/36/31/765933631.db2.gz NCRUHAMFTBEMSF-UHFFFAOYSA-N 1 0 321.341 0.188 20 5 DCBDRO O=[N+]([O-])c1cc(C(F)(F)N[C@H]2C[NH2+]C[C@@H]2CO)cnc1Cl ZINC001159672317 766198729 /nfs/dbraw/zinc/19/87/29/766198729.db2.gz OIQNGWRFARIBTQ-SVRRBLITSA-N 1 0 322.699 0.862 20 5 DCBDRO Cc1c(C(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nnn1C ZINC001125169479 768366498 /nfs/dbraw/zinc/36/64/98/768366498.db2.gz CINGWGBADQFPJJ-UHFFFAOYSA-N 1 0 318.337 0.551 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC001119048248 766519508 /nfs/dbraw/zinc/51/95/08/766519508.db2.gz WJUNLFPUBVABBT-PHIMTYICSA-N 1 0 307.354 0.993 20 5 DCBDRO O=C(N[C@H]1C[NH+]2CCC1CC2)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120686854 767137901 /nfs/dbraw/zinc/13/79/01/767137901.db2.gz CUWZYRUQZISQAJ-UONOGXRCSA-N 1 0 305.334 0.839 20 5 DCBDRO CCC[N@H+](C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC001093171314 768479534 /nfs/dbraw/zinc/47/95/34/768479534.db2.gz XQDSDPDBIXJUBX-UHFFFAOYSA-N 1 0 321.381 0.980 20 5 DCBDRO C[NH+](C)CCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC001093193802 768484281 /nfs/dbraw/zinc/48/42/81/768484281.db2.gz ZWZHBQLQJSVCBH-UHFFFAOYSA-N 1 0 307.354 0.590 20 5 DCBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(C1C[NH2+]C1)S(C)(=O)=O ZINC001173234212 769567756 /nfs/dbraw/zinc/56/77/56/769567756.db2.gz PWBCWKPYEXTUSO-JTQLQIEISA-N 1 0 313.379 0.759 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CC(N)=O)C1CCOCC1 ZINC001175783450 769962632 /nfs/dbraw/zinc/96/26/32/769962632.db2.gz RWLRWPSWYUVFJT-UHFFFAOYSA-N 1 0 311.342 0.066 20 5 DCBDRO C[C@H]1Cc2n[nH]cc2C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001176143842 770031109 /nfs/dbraw/zinc/03/11/09/770031109.db2.gz AXHHRAAELKXCJV-GWCFXTLKSA-N 1 0 320.353 0.570 20 5 DCBDRO C[C@H]1Cc2n[nH]cc2C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001176143844 770031605 /nfs/dbraw/zinc/03/16/05/770031605.db2.gz AXHHRAAELKXCJV-GXFFZTMASA-N 1 0 320.353 0.570 20 5 DCBDRO CS(=O)(=O)N(CC[NH3+])c1nccc2ccc([N+](=O)[O-])cc21 ZINC001154770849 770290826 /nfs/dbraw/zinc/29/08/26/770290826.db2.gz SEIONWCAJIEGFI-UHFFFAOYSA-N 1 0 310.335 0.868 20 5 DCBDRO O=[N+]([O-])c1cnc(NCCN2CCCCO2)nc1C1C[NH2+]C1 ZINC001155003895 770364467 /nfs/dbraw/zinc/36/44/67/770364467.db2.gz BNQSJYWZJMBQPT-UHFFFAOYSA-N 1 0 308.342 0.511 20 5 DCBDRO Cc1nc(NCc2nnn3c2C[NH2+]CCC3)ncc1[N+](=O)[O-] ZINC001155399581 770491636 /nfs/dbraw/zinc/49/16/36/770491636.db2.gz BBSRNDIOJFCYRM-UHFFFAOYSA-N 1 0 304.314 0.390 20 5 DCBDRO O=[N+]([O-])c1cnc(NCc2nnc3n2CCC[NH2+]C3)c(F)c1 ZINC001155424474 770497617 /nfs/dbraw/zinc/49/76/17/770497617.db2.gz CLLQGPAGCMHDBH-UHFFFAOYSA-N 1 0 307.289 0.826 20 5 DCBDRO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N[C@@H]1COCCC12C[NH2+]C2 ZINC001155468838 770512188 /nfs/dbraw/zinc/51/21/88/770512188.db2.gz LQZXIEHTELXAFE-SECBINFHSA-N 1 0 314.729 0.672 20 5 DCBDRO COc1nc(N[C@H]2CCO[C@@]3(CC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC001155619483 770568069 /nfs/dbraw/zinc/56/80/69/770568069.db2.gz PKSKGTPBJCHRIH-ZANVPECISA-N 1 0 309.326 0.716 20 5 DCBDRO CCOCC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001178450100 770745141 /nfs/dbraw/zinc/74/51/41/770745141.db2.gz SAKYXPMCXNZWAP-CHWSQXEVSA-N 1 0 301.387 0.954 20 5 DCBDRO Cn1ccc(C[NH2+]CCCCCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC001178458663 770759897 /nfs/dbraw/zinc/75/98/97/770759897.db2.gz QQDYJRQVFZORFZ-ZIAGYGMSSA-N 1 0 323.397 0.852 20 5 DCBDRO CCOc1nc(N(C)S(=O)(=O)CC[NH3+])ccc1[N+](=O)[O-] ZINC001156239195 770760765 /nfs/dbraw/zinc/76/07/65/770760765.db2.gz RFSCOHITRRPCRL-UHFFFAOYSA-N 1 0 304.328 0.113 20 5 DCBDRO COC(=O)C1(Nc2c(C)c([N+](=O)[O-])cc[n+]2[O-])CC[NH2+]CC1 ZINC001156536053 770847862 /nfs/dbraw/zinc/84/78/62/770847862.db2.gz ORWRCEDAOCGVJZ-UHFFFAOYSA-N 1 0 310.310 0.244 20 5 DCBDRO COC(=O)C1(Nc2nc(Cl)ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC001156529972 770848785 /nfs/dbraw/zinc/84/87/85/770848785.db2.gz YZTMEIBOMVIYLR-UHFFFAOYSA-N 1 0 315.717 0.745 20 5 DCBDRO Cc1ncn(-c2cc([N+](=O)[O-])cc[n+]2[O-])c1CSCC[NH3+] ZINC001157962265 771704083 /nfs/dbraw/zinc/70/40/83/771704083.db2.gz XYSSYZFWBFQHJB-UHFFFAOYSA-N 1 0 309.351 0.914 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001158203948 771740205 /nfs/dbraw/zinc/74/02/05/771740205.db2.gz JXCLMLWKIDUXOL-SECBINFHSA-N 1 0 314.305 0.586 20 5 DCBDRO COC(=O)[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CN1 ZINC001158253865 771745826 /nfs/dbraw/zinc/74/58/26/771745826.db2.gz GTEIGSAAYVZIJS-SVRRBLITSA-N 1 0 311.254 0.213 20 5 DCBDRO Nc1cc([N+](=O)[O-])cnc1NCc1ncn2c1C[NH2+]CCC2 ZINC001158362101 771763622 /nfs/dbraw/zinc/76/36/22/771763622.db2.gz BJCRBVOPNRXJLR-UHFFFAOYSA-N 1 0 303.326 0.874 20 5 DCBDRO [NH3+]CCOCCOCCNc1cnc2ccc([N+](=O)[O-])cc2n1 ZINC001159444843 771911314 /nfs/dbraw/zinc/91/13/14/771911314.db2.gz OBLTXPXEGQEFPO-UHFFFAOYSA-N 1 0 321.337 0.942 20 5 DCBDRO COC(=O)c1cnc(N[C@@H](C)[C@@H]2C[NH2+]CCO2)c([N+](=O)[O-])c1 ZINC001159499665 771920276 /nfs/dbraw/zinc/92/02/76/771920276.db2.gz UORMEALZGIACEJ-KWQFWETISA-N 1 0 310.310 0.565 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1Nc1nc(Cl)ncc1[N+](=O)[O-] ZINC001159750450 771952038 /nfs/dbraw/zinc/95/20/38/771952038.db2.gz KMSYJYSCFKACQI-RNFRBKRXSA-N 1 0 315.717 0.601 20 5 DCBDRO O=C1C[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CCCN1 ZINC001162453042 772375630 /nfs/dbraw/zinc/37/56/30/772375630.db2.gz CDIFKIVJANZFPM-VIFPVBQESA-N 1 0 306.326 0.152 20 5 DCBDRO C[NH+](C)CCOc1cc(NC2(C(N)=O)CC2)ccc1[N+](=O)[O-] ZINC001162549390 772391260 /nfs/dbraw/zinc/39/12/60/772391260.db2.gz PCIGWADADRZCQZ-UHFFFAOYSA-N 1 0 308.338 0.965 20 5 DCBDRO COC(=O)c1ccnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@@H]32)c1[N+](=O)[O-] ZINC001162794117 772419207 /nfs/dbraw/zinc/41/92/07/772419207.db2.gz OAXIHNZEOKVBGZ-INTQDDNPSA-N 1 0 304.306 0.962 20 5 DCBDRO COC(=O)c1cnc(N[C@@H]2C=C[C@H]3C[NH2+]C[C@H]32)c([N+](=O)[O-])c1 ZINC001162795487 772419271 /nfs/dbraw/zinc/41/92/71/772419271.db2.gz WOTCYIVCSDXUGF-JMJZKYOTSA-N 1 0 304.306 0.962 20 5 DCBDRO COC(=O)[C@@H](Nc1cc([N+](=O)[O-])c2nncn2c1)C(C)(C)[NH3+] ZINC001162950480 772435340 /nfs/dbraw/zinc/43/53/40/772435340.db2.gz SWXOVSBKMXTFSO-SECBINFHSA-N 1 0 308.298 0.328 20 5 DCBDRO O=[N+]([O-])c1c[nH]c2ncnc(N[C@H]3COCCC34C[NH2+]C4)c12 ZINC001163070589 772453373 /nfs/dbraw/zinc/45/33/73/772453373.db2.gz YYNVMSOMFLCKMO-VIFPVBQESA-N 1 0 304.310 0.657 20 5 DCBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCOC23C[NH2+]C3)cn2cnnc12 ZINC001163094088 772460390 /nfs/dbraw/zinc/46/03/90/772460390.db2.gz GDKACJVYWBMIDB-JTQLQIEISA-N 1 0 318.337 0.818 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)n1 ZINC001163101892 772462753 /nfs/dbraw/zinc/46/27/53/772462753.db2.gz GWILXRITPMLSPG-HLUHBDAQSA-N 1 0 322.321 0.423 20 5 DCBDRO O=[N+]([O-])c1cc(NC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cn2ccnc12 ZINC001163105726 772463599 /nfs/dbraw/zinc/46/35/99/772463599.db2.gz SLEPSPCWDQSMFE-IRUJWGPZSA-N 1 0 303.322 0.889 20 5 DCBDRO O=[N+]([O-])c1c2nsnc2ccc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163146708 772471820 /nfs/dbraw/zinc/47/18/20/772471820.db2.gz WQUMMGHSQYVWQY-BDODKLCJSA-N 1 0 307.335 0.998 20 5 DCBDRO NC(=O)c1nc(NC[C@@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001163158807 772474173 /nfs/dbraw/zinc/47/41/73/772474173.db2.gz BOJYHZVNILVXCY-KKZNHRDASA-N 1 0 321.337 0.125 20 5 DCBDRO O=C1NCc2c1c([N+](=O)[O-])ccc2NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163205973 772482159 /nfs/dbraw/zinc/48/21/59/772482159.db2.gz AMXNCWYMJANROX-XLKFXECMSA-N 1 0 304.306 0.381 20 5 DCBDRO COC(=O)Cc1ccc(N[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)cc1[N+](=O)[O-] ZINC001163343369 772509818 /nfs/dbraw/zinc/50/98/18/772509818.db2.gz XSIZONXDZDDVBK-XUJVJEKNSA-N 1 0 321.333 0.852 20 5 DCBDRO CN(CC(F)(F)F)c1ncnc(N2CC[NH2+]CC2)c1[N+](=O)[O-] ZINC001163706378 772560830 /nfs/dbraw/zinc/56/08/30/772560830.db2.gz MGFAILQRDJZERC-UHFFFAOYSA-N 1 0 320.275 0.793 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnc(N)c([N+](=O)[O-])c3)C[C@@H]2C1 ZINC001164284525 772636644 /nfs/dbraw/zinc/63/66/44/772636644.db2.gz HFKPXXUOQLQYLS-KOLCDFICSA-N 1 0 305.338 0.596 20 5 DCBDRO COc1nc(N2C[C@@H](C[NH3+])CC[C@@H]2C)nc(OC)c1[N+](=O)[O-] ZINC001164463283 772663716 /nfs/dbraw/zinc/66/37/16/772663716.db2.gz ZCXOBAZGTDQDIY-DTWKUNHWSA-N 1 0 311.342 0.966 20 5 DCBDRO COC(=O)[C@@]1(C)CCCN1c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001165249760 772710909 /nfs/dbraw/zinc/71/09/09/772710909.db2.gz HNMCLDQYSSAZMJ-CQSZACIVSA-N 1 0 321.337 0.604 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CC3(C2)CCCOC3)nc1C1C[NH2+]C1 ZINC001165308718 772722333 /nfs/dbraw/zinc/72/23/33/772722333.db2.gz LECNMEUKWKYTMP-UHFFFAOYSA-N 1 0 305.338 0.688 20 5 DCBDRO O=[N+]([O-])c1c(N2CC[NH2+]CC2)ncnc1N1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001165364575 772728779 /nfs/dbraw/zinc/72/87/79/772728779.db2.gz ANBZFAZOGMPZFC-GARJFASQSA-N 1 0 322.344 0.589 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]3[NH2+]C[C@@H]32)n1 ZINC001165392613 772732003 /nfs/dbraw/zinc/73/20/03/772732003.db2.gz CNRQOQAAXQEVJS-ZJUUUORDSA-N 1 0 306.326 0.592 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001165442725 772739189 /nfs/dbraw/zinc/73/91/89/772739189.db2.gz PVAKZXNJSCVPNI-NSHDSACASA-N 1 0 324.337 0.728 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 ZINC001196095101 773539098 /nfs/dbraw/zinc/53/90/98/773539098.db2.gz UOMLBBURGDXTPA-ZWKOPEQDSA-N 1 0 320.349 0.483 20 5 DCBDRO CCOCCC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001223114928 775464736 /nfs/dbraw/zinc/46/47/36/775464736.db2.gz XJGIUVJJBKFOMA-ZIAGYGMSSA-N 1 0 313.398 0.906 20 5 DCBDRO COC(=O)Cc1ccccc1COC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224239379 775547733 /nfs/dbraw/zinc/54/77/33/775547733.db2.gz SUNOGFPPJRLGNP-OAHLLOKOSA-N 1 0 324.397 0.903 20 5 DCBDRO NC(=O)CC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001226708691 775865593 /nfs/dbraw/zinc/86/55/93/775865593.db2.gz PCSFRMIYOUUBPH-UHFFFAOYSA-N 1 0 320.349 0.551 20 5 DCBDRO O=C(NC1CC[NH+](CCOCC2CC2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001227258333 775951609 /nfs/dbraw/zinc/95/16/09/775951609.db2.gz OIJPCVMYYMTPSS-ZIAGYGMSSA-N 1 0 311.382 0.659 20 5 DCBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Br)nc1C(N)=O ZINC001230196368 776263121 /nfs/dbraw/zinc/26/31/21/776263121.db2.gz AKWFBSNYNDJGOG-SSDOTTSWSA-O 1 0 318.195 0.812 20 5 DCBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N[C@@]12CC[NH2+][C@H]1CC(=O)N2 ZINC001246155711 945352194 /nfs/dbraw/zinc/35/21/94/945352194.db2.gz ZPUQGWJALJSMON-RIEGTJTDSA-N 1 0 304.350 0.694 20 5 DCBDRO CC(=O)NCC(=O)N(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001271949953 941489052 /nfs/dbraw/zinc/48/90/52/941489052.db2.gz FEKLKYUFLYNKDS-UHFFFAOYSA-N 1 0 322.365 0.621 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CC2CCC2)CC1 ZINC001484953480 943636246 /nfs/dbraw/zinc/63/62/46/943636246.db2.gz UNSOESHSAYVUJN-CHWSQXEVSA-N 1 0 311.382 0.395 20 5 DCBDRO NC(=O)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC001491004179 943703694 /nfs/dbraw/zinc/70/36/94/943703694.db2.gz CGOPZRVOUWKCIO-DTORHVGOSA-N 1 0 312.351 0.269 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CNCCN3)CC2)cc1 ZINC001246488654 945419765 /nfs/dbraw/zinc/41/97/65/945419765.db2.gz LERPYIHRYQGTJP-AWEZNQCLSA-N 1 0 319.409 0.715 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CNCCN3)CC2)cc1 ZINC001246488683 945420075 /nfs/dbraw/zinc/42/00/75/945420075.db2.gz LERPYIHRYQGTJP-CQSZACIVSA-N 1 0 319.409 0.715 20 5 DCBDRO COC(=O)[C@@H]1CN([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH3+] ZINC001246941461 945522412 /nfs/dbraw/zinc/52/24/12/945522412.db2.gz VTZCCAXGDSZYKA-ZLKJLUDKSA-N 1 0 307.350 0.958 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1-c1noc(C[C@@H]2C[NH2+]CCN2)n1 ZINC001248362738 945601332 /nfs/dbraw/zinc/60/13/32/945601332.db2.gz NNAIFZMDUWCIII-MRVPVSSYSA-N 1 0 308.273 0.283 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@@H](O)[C@H](CO)C3)CC2)cc1 ZINC001254474448 946397222 /nfs/dbraw/zinc/39/72/22/946397222.db2.gz QPZIBAGPRPONEB-BLLLJJGKSA-N 1 0 321.377 0.849 20 5 DCBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O ZINC001254538696 946407208 /nfs/dbraw/zinc/40/72/08/946407208.db2.gz ZBGGYJCQFXCYIJ-VLMXXORWSA-N 1 0 310.350 0.218 20 5 DCBDRO C[C@H]1COCCN1CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001262010260 947530539 /nfs/dbraw/zinc/53/05/39/947530539.db2.gz ZCJFHERVTCOXNW-HIFPTAJRSA-N 1 0 309.370 0.805 20 5 DCBDRO CN(C)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC001262557656 947727035 /nfs/dbraw/zinc/72/70/35/947727035.db2.gz IICOKPUUZZLQDU-UHFFFAOYSA-N 1 0 301.368 0.520 20 5 DCBDRO Cn1c(C[N+](=O)[O-])nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001262864531 947777979 /nfs/dbraw/zinc/77/79/79/947777979.db2.gz JRKVNUCXJCAAHN-UHFFFAOYSA-N 1 0 324.385 0.140 20 5 DCBDRO O=C(C[C@@]1(O)CCC[NH2+]C1)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001263089146 947806307 /nfs/dbraw/zinc/80/63/07/947806307.db2.gz AWAFMMYXADBALI-HNNXBMFYSA-N 1 0 305.334 0.942 20 5 DCBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001326339855 948133708 /nfs/dbraw/zinc/13/37/08/948133708.db2.gz RQZGMCJFMYHNMB-NSHDSACASA-N 1 0 308.338 0.486 20 5 DCBDRO O=C1CCCN1C[C@H](O)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001327002677 948361242 /nfs/dbraw/zinc/36/12/42/948361242.db2.gz KCKYCEQEPHKWSH-ZIAGYGMSSA-N 1 0 323.349 0.201 20 5 DCBDRO CN(C)c1cc[nH+]c(CNC(=O)CCn2cc([N+](=O)[O-])cn2)c1 ZINC001462783472 1013088887 /nfs/dbraw/zinc/08/88/87/1013088887.db2.gz HXGSKVQDGXIXMW-UHFFFAOYSA-N 1 0 318.337 0.959 20 5 DCBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC001327915859 948663581 /nfs/dbraw/zinc/66/35/81/948663581.db2.gz DVIALBYIZKDXFW-WDEREUQCSA-N 1 0 308.338 0.308 20 5 DCBDRO CC[NH+]1CCN(c2nnc(C[N+](=O)[O-])n2C[C@H]2CCCO2)CC1 ZINC001263440324 948723192 /nfs/dbraw/zinc/72/31/92/948723192.db2.gz PCCIGMFHYJGYIM-GFCCVEGCSA-N 1 0 324.385 0.376 20 5 DCBDRO CC[NH2+]CC1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001328489591 948922038 /nfs/dbraw/zinc/92/20/38/948922038.db2.gz CZCSTXWPINUSEU-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC001330196691 950187581 /nfs/dbraw/zinc/18/75/81/950187581.db2.gz AVCTYLCGXNKART-UHFFFAOYSA-N 1 0 308.338 0.360 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cn1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC001330487011 950450859 /nfs/dbraw/zinc/45/08/59/950450859.db2.gz IPIVITCIKKOHQH-NWDGAFQWSA-N 1 0 306.322 0.271 20 5 DCBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCN3CCC(O)CC3)C2)c1 ZINC001330625376 950554756 /nfs/dbraw/zinc/55/47/56/950554756.db2.gz FJEJTSRKNONIOW-UHFFFAOYSA-N 1 0 323.397 0.931 20 5 DCBDRO C[C@H]([NH3+])CCNC(=O)C(=O)N1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331319139 951073309 /nfs/dbraw/zinc/07/33/09/951073309.db2.gz MPJPJWZIDAMKHV-VIFPVBQESA-N 1 0 306.322 0.291 20 5 DCBDRO Cc1ccc([C@H](C)NC(=O)C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC001331949032 951406231 /nfs/dbraw/zinc/40/62/31/951406231.db2.gz NJXCOVBFFNNHJY-QWRGUYRKSA-N 1 0 322.365 0.934 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001334111430 952241945 /nfs/dbraw/zinc/24/19/45/952241945.db2.gz QJRLDPISKOIETQ-NWDGAFQWSA-N 1 0 307.354 0.843 20 5 DCBDRO CN(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC001335485170 952543993 /nfs/dbraw/zinc/54/39/93/952543993.db2.gz KVYIAANPIXSRJU-MGPQQGTHSA-N 1 0 323.397 0.615 20 5 DCBDRO Cc1ccncc1C[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001276002776 952607469 /nfs/dbraw/zinc/60/74/69/952607469.db2.gz YQUAQOYKBKNIGC-ZIAGYGMSSA-N 1 0 306.366 0.993 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC001336756601 952761706 /nfs/dbraw/zinc/76/17/06/952761706.db2.gz XCRZTUYNFAWERV-AWEZNQCLSA-N 1 0 322.365 0.767 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)NCC[C@H](C)[NH3+] ZINC001336965981 952790674 /nfs/dbraw/zinc/79/06/74/952790674.db2.gz SUACFPFRAOXJLG-VIFPVBQESA-N 1 0 324.337 0.073 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)CCc1cc(F)ccc1[N+](=O)[O-] ZINC001340862339 953199911 /nfs/dbraw/zinc/19/99/11/953199911.db2.gz GFVBOPNTUXGIJA-LBPRGKRZSA-N 1 0 313.329 0.705 20 5 DCBDRO O=C([C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC001341020146 953208094 /nfs/dbraw/zinc/20/80/94/953208094.db2.gz NSUGFAQFEQULNL-MBNYWOFBSA-N 1 0 319.365 0.810 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001341098890 953210238 /nfs/dbraw/zinc/21/02/38/953210238.db2.gz WNNQVQXKOHRWAI-BFHYXJOUSA-N 1 0 305.334 0.803 20 5 DCBDRO COc1cc(C(=O)N2CCNCC[NH2+]CC2)cc([N+](=O)[O-])c1C ZINC001342704881 953303272 /nfs/dbraw/zinc/30/32/72/953303272.db2.gz NUERNLXAFBEEPS-UHFFFAOYSA-N 1 0 322.365 0.547 20 5 DCBDRO C[C@@H](CNC(=O)CN1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC001345323323 953639509 /nfs/dbraw/zinc/63/95/09/953639509.db2.gz AGMSESXEZOAHHS-LBPRGKRZSA-N 1 0 306.366 0.720 20 5 DCBDRO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1c[nH]nc1[N+](=O)[O-] ZINC001347857928 954174014 /nfs/dbraw/zinc/17/40/14/954174014.db2.gz VIFQQYNWPXZHPW-JTQLQIEISA-N 1 0 309.326 0.301 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001353285180 956004307 /nfs/dbraw/zinc/00/43/07/956004307.db2.gz KHAVWVMNYRTPNA-GMTAPVOTSA-N 1 0 307.354 0.707 20 5 DCBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](CO)[C@H](CO)C1 ZINC001308021587 960163491 /nfs/dbraw/zinc/16/34/91/960163491.db2.gz NOJGLSXWVBZFKN-SDDRHHMPSA-N 1 0 323.349 0.454 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C2([C@H]3CCCO3)CCC2)c1 ZINC001308159547 960167760 /nfs/dbraw/zinc/16/77/60/960167760.db2.gz DPTQFVFDRBFRCA-QWHCGFSZSA-N 1 0 310.354 0.844 20 5 DCBDRO C[C@H](NC(=O)Nc1ccncc1[N+](=O)[O-])[C@@H]1C[N@H+](C)CCN1C ZINC001465946111 1016036751 /nfs/dbraw/zinc/03/67/51/1016036751.db2.gz XRSIXPJQWFIWLF-GWCFXTLKSA-N 1 0 322.369 0.168 20 5 DCBDRO Cc1cc([N+](=O)[O-])cc(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)n1 ZINC001468318134 1016243908 /nfs/dbraw/zinc/24/39/08/1016243908.db2.gz YPIFPXYGGKTKEX-LBPRGKRZSA-N 1 0 322.365 0.875 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001514598074 1016986119 /nfs/dbraw/zinc/98/61/19/1016986119.db2.gz WBUVNSPWJQVWLG-LLVKDONJSA-N 1 0 308.338 0.454 20 5 DCBDRO CN1CCC[C@@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC001474699544 1017030265 /nfs/dbraw/zinc/03/02/65/1017030265.db2.gz MQOKKJDWNPGNFX-BPLDGKMQSA-N 1 0 309.366 0.673 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001442676076 1009608694 /nfs/dbraw/zinc/60/86/94/1009608694.db2.gz ZLDBBDDJHUIOBD-NEPJUHHUSA-N 1 0 323.353 0.079 20 5 DCBDRO CCO[C@H](CNC(=O)c1[nH]nc(CC)c1[N+](=O)[O-])C[NH+](C)C ZINC001455560106 1009815884 /nfs/dbraw/zinc/81/58/84/1009815884.db2.gz HOJKSWIIZXMBLH-SECBINFHSA-N 1 0 313.358 0.577 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[NH+]2CCC1CC2 ZINC001456754476 1011439202 /nfs/dbraw/zinc/43/92/02/1011439202.db2.gz DKNPSCOAIFKGQU-JTQLQIEISA-N 1 0 305.338 0.644 20 5 DCBDRO O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558552274 1012367813 /nfs/dbraw/zinc/36/78/13/1012367813.db2.gz WLVASSFTHUZGGQ-FZMZJTMJSA-N 1 0 321.333 0.218 20 5 DCBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)[C@@H]1C[N@H+](C)CCN1C ZINC001559284832 1012414656 /nfs/dbraw/zinc/41/46/56/1012414656.db2.gz RUXJKWCXSCIAGZ-YGRLFVJLSA-N 1 0 321.381 0.740 20 5 DCBDRO CC[C@H]1C[N@H+](CC)CCN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001559835117 1012427317 /nfs/dbraw/zinc/42/73/17/1012427317.db2.gz AKLDROZSRBPYMP-JSGCOSHPSA-N 1 0 311.386 0.568 20 5 DCBDRO CN(C)S(=O)(=O)NCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001560818567 1012454372 /nfs/dbraw/zinc/45/43/72/1012454372.db2.gz KIWICCXYCFQHLZ-UHFFFAOYSA-N 1 0 316.383 0.123 20 5 DCBDRO CC(C)(O)[C@@H]1CCC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001460753632 1012963340 /nfs/dbraw/zinc/96/33/40/1012963340.db2.gz YMCDLOQMSSNWJM-DGCLKSJQSA-N 1 0 312.370 0.635 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc3c(cn2)OCCO3)c1 ZINC001461313896 1013015651 /nfs/dbraw/zinc/01/56/51/1013015651.db2.gz OQZCUYCBLCUZTH-UHFFFAOYSA-N 1 0 305.294 0.747 20 5 DCBDRO CC[N@@H+]1C[C@H](C)N(c2nnc(CCC[N+](=O)[O-])n2C)C[C@@H]1C ZINC001519565660 1017216615 /nfs/dbraw/zinc/21/66/15/1017216615.db2.gz CPBZKIRPKWLXES-RYUDHWBXSA-N 1 0 310.402 0.943 20 5 DCBDRO Cc1n[nH]nc1C(=O)N(C)CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001493653035 1019595810 /nfs/dbraw/zinc/59/58/10/1019595810.db2.gz IVDXFOJIDUYTFX-UHFFFAOYSA-N 1 0 318.337 0.883 20 5 DCBDRO Cc1cc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ncn1 ZINC001502192969 1019802639 /nfs/dbraw/zinc/80/26/39/1019802639.db2.gz MEIGEFYKYIPURL-ZIAGYGMSSA-N 1 0 321.381 0.731 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000318369853 231169118 /nfs/dbraw/zinc/16/91/18/231169118.db2.gz IGEKANKABGISLF-NEPJUHHUSA-N 1 0 305.338 0.929 20 5 DCBDRO CN1CC[NH2+]C[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415636173 529780234 /nfs/dbraw/zinc/78/02/34/529780234.db2.gz WXUSIVLJHBDZDQ-LBPRGKRZSA-N 1 0 311.317 0.759 20 5 DCBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000286921814 219227026 /nfs/dbraw/zinc/22/70/26/219227026.db2.gz IMHSSKMEZWUCRX-JTQLQIEISA-N 1 0 318.337 0.855 20 5 DCBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000174127595 198295039 /nfs/dbraw/zinc/29/50/39/198295039.db2.gz GGANYSNMYKEAPQ-LBPRGKRZSA-N 1 0 322.365 0.699 20 5 DCBDRO CC[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCS1 ZINC000174368544 198325826 /nfs/dbraw/zinc/32/58/26/198325826.db2.gz BQLXNCPMAFANHN-NWDGAFQWSA-N 1 0 300.384 0.980 20 5 DCBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188324522 200227630 /nfs/dbraw/zinc/22/76/30/200227630.db2.gz CXYYPFWIGHWNTN-UHFFFAOYSA-N 1 0 301.306 0.894 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000316770501 291254590 /nfs/dbraw/zinc/25/45/90/291254590.db2.gz ONPNVYFSPWYRDM-UHFFFAOYSA-N 1 0 306.322 0.065 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)C1 ZINC000566099356 291269188 /nfs/dbraw/zinc/26/91/88/291269188.db2.gz WRROVRMYJUUBJR-SECBINFHSA-N 1 0 307.306 0.800 20 5 DCBDRO [NH3+]CCCn1cc(C(=O)NCCc2ccccc2[N+](=O)[O-])nn1 ZINC000566097111 291268561 /nfs/dbraw/zinc/26/85/61/291268561.db2.gz PQSSIZVDGULDKB-UHFFFAOYSA-N 1 0 318.337 0.508 20 5 DCBDRO C[N@H+]1CC=C(CNC(=O)Cn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000271866375 209281359 /nfs/dbraw/zinc/28/13/59/209281359.db2.gz BDJWCFPPDCACBN-UHFFFAOYSA-N 1 0 306.322 0.135 20 5 DCBDRO Cc1nn(CCC(=O)N[C@@H](CC[NH3+])C(F)F)c(C)c1[N+](=O)[O-] ZINC000566213637 291283248 /nfs/dbraw/zinc/28/32/48/291283248.db2.gz ZCVHCIHEDLZTMX-VIFPVBQESA-N 1 0 319.312 0.897 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](CO)CC(F)F)c1 ZINC000566231141 291285032 /nfs/dbraw/zinc/28/50/32/291285032.db2.gz LFSFWYINTXXYHB-MWLCHTKSSA-N 1 0 320.292 0.940 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566250717 291288585 /nfs/dbraw/zinc/28/85/85/291288585.db2.gz CYXQWQDYEWYMKQ-NWDGAFQWSA-N 1 0 307.354 0.639 20 5 DCBDRO C[NH2+]CCCN(C)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000420474266 240039096 /nfs/dbraw/zinc/03/90/96/240039096.db2.gz XMQFVUJWCLBMDL-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000423686852 240239292 /nfs/dbraw/zinc/23/92/92/240239292.db2.gz ZNUAOYWHRLDGMF-NOZJJQNGSA-N 1 0 316.317 0.453 20 5 DCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000567880953 291387258 /nfs/dbraw/zinc/38/72/58/291387258.db2.gz PWISBJYSTJKUNE-MNOVXSKESA-N 1 0 322.365 0.795 20 5 DCBDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000264760003 204135779 /nfs/dbraw/zinc/13/57/79/204135779.db2.gz UBJNCNKPBMNDTD-NSHDSACASA-N 1 0 307.354 0.153 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000282811263 217267126 /nfs/dbraw/zinc/26/71/26/217267126.db2.gz PGSBUFPQVAXVIT-LBPRGKRZSA-N 1 0 320.349 0.547 20 5 DCBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000572374789 291564848 /nfs/dbraw/zinc/56/48/48/291564848.db2.gz AEAHHUHSECMXER-KBPBESRZSA-N 1 0 322.365 0.448 20 5 DCBDRO Cc1cc(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)nc(C)n1 ZINC000572596179 291577196 /nfs/dbraw/zinc/57/71/96/291577196.db2.gz NVASGUMXVDDBLT-ZDUSSCGKSA-N 1 0 306.326 0.349 20 5 DCBDRO O=C(NCCN1CC[NH2+]CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036278264 182811886 /nfs/dbraw/zinc/81/18/86/182811886.db2.gz VGKIEJYOJYCRGD-UHFFFAOYSA-N 1 0 312.757 0.883 20 5 DCBDRO COc1ccc(NC(=O)CN(C)[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000573564300 291640696 /nfs/dbraw/zinc/64/06/96/291640696.db2.gz CMDDMNSVIZNZGE-SNVBAGLBSA-N 1 0 308.338 0.836 20 5 DCBDRO COc1ccc(NC(=O)CN(C)[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000573564294 291640637 /nfs/dbraw/zinc/64/06/37/291640637.db2.gz CMDDMNSVIZNZGE-JTQLQIEISA-N 1 0 308.338 0.836 20 5 DCBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000110994322 194378095 /nfs/dbraw/zinc/37/80/95/194378095.db2.gz RZEFPHSDCDADCI-GFCCVEGCSA-N 1 0 322.365 0.747 20 5 DCBDRO C[NH+]1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000061031110 184160558 /nfs/dbraw/zinc/16/05/58/184160558.db2.gz HFIZHBWPCIFWSP-UHFFFAOYSA-N 1 0 320.349 0.535 20 5 DCBDRO CC[N@@H+]1CC[C@@H]2OCCN(Cc3c([N+](=O)[O-])ncn3C)[C@@H]2C1 ZINC000339385219 253076719 /nfs/dbraw/zinc/07/67/19/253076719.db2.gz NKFXJIPSDLQUPQ-YPMHNXCESA-N 1 0 309.370 0.623 20 5 DCBDRO Nc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288625867 220301134 /nfs/dbraw/zinc/30/11/34/220301134.db2.gz WDIJCNCQBLXCPY-NSHDSACASA-N 1 0 322.365 0.754 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000342176722 253465252 /nfs/dbraw/zinc/46/52/52/253465252.db2.gz XJXIEVNLJMKSLP-UHFFFAOYSA-N 1 0 324.362 0.160 20 5 DCBDRO COc1cc([C@H](C)[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)ccn1 ZINC000347552180 254167104 /nfs/dbraw/zinc/16/71/04/254167104.db2.gz GOKMCTRMSOOROJ-GWCFXTLKSA-N 1 0 321.337 0.907 20 5 DCBDRO Cc1nn(C)c(C(=O)NCCNc2cc[nH+]cc2)c1[N+](=O)[O-] ZINC000347977091 254208629 /nfs/dbraw/zinc/20/86/29/254208629.db2.gz LGIRLYUSQUXMIJ-UHFFFAOYSA-N 1 0 304.310 0.296 20 5 DCBDRO C[C@H](CC[NH3+])NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000349962265 254306189 /nfs/dbraw/zinc/30/61/89/254306189.db2.gz MYFSJTGHAMKRPX-MRVPVSSYSA-N 1 0 315.351 0.465 20 5 DCBDRO CC[NH+]1CCN(CCCNC(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000042076006 395742689 /nfs/dbraw/zinc/74/26/89/395742689.db2.gz WSFNDTRLEVORBY-UHFFFAOYSA-N 1 0 309.370 0.680 20 5 DCBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000111265425 395804936 /nfs/dbraw/zinc/80/49/36/395804936.db2.gz HQRPILRAITZRAI-LBPRGKRZSA-N 1 0 320.349 0.652 20 5 DCBDRO CCCCC[N@@H+](CC(N)=O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000272480762 395894093 /nfs/dbraw/zinc/89/40/93/395894093.db2.gz BAPAUEZUQBPCRY-LBPRGKRZSA-N 1 0 313.358 0.130 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC000272537033 395898169 /nfs/dbraw/zinc/89/81/69/395898169.db2.gz BPTIEYOUOFZOMT-YPMHNXCESA-N 1 0 307.354 0.734 20 5 DCBDRO C[C@H](NC(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CN(C)CCO1 ZINC000124002117 395899186 /nfs/dbraw/zinc/89/91/86/395899186.db2.gz SZWQHXVHMPUSJQ-FZMZJTMJSA-N 1 0 322.365 0.842 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000126196431 395911262 /nfs/dbraw/zinc/91/12/62/395911262.db2.gz URLSTZFOMXDTSC-KOLCDFICSA-N 1 0 306.322 0.191 20 5 DCBDRO CN1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1=O ZINC000273334670 395914388 /nfs/dbraw/zinc/91/43/88/395914388.db2.gz MOVWVNADNNXNIF-YPMHNXCESA-N 1 0 323.349 0.497 20 5 DCBDRO C[NH+](C)CCn1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cn1 ZINC000130229900 395922756 /nfs/dbraw/zinc/92/27/56/395922756.db2.gz YYGHKFIYKGOLCZ-UHFFFAOYSA-N 1 0 320.309 0.706 20 5 DCBDRO COc1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000053254405 395879049 /nfs/dbraw/zinc/87/90/49/395879049.db2.gz HIRXMSSANKLROB-SECBINFHSA-N 1 0 315.351 0.634 20 5 DCBDRO C[NH+](C)CCn1cc(NC(=O)Cn2ccc([N+](=O)[O-])n2)cn1 ZINC000061635072 395969412 /nfs/dbraw/zinc/96/94/12/395969412.db2.gz LQRXRKPBFVFSNF-UHFFFAOYSA-N 1 0 307.314 0.188 20 5 DCBDRO CSC[C@@H]1CCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000247302677 395971798 /nfs/dbraw/zinc/97/17/98/395971798.db2.gz UVKAIVBZYDZEOK-CMPLNLGQSA-N 1 0 300.384 0.980 20 5 DCBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)NCCn2cc([N+](=O)[O-])cn2)C1 ZINC000151293771 395983284 /nfs/dbraw/zinc/98/32/84/395983284.db2.gz JYOZTKFPDWDUHU-LBPRGKRZSA-N 1 0 324.385 0.822 20 5 DCBDRO CNS(=O)(=O)c1ccc(NCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000067949593 396039598 /nfs/dbraw/zinc/03/95/98/396039598.db2.gz LTWVJPIRIWFQDT-UHFFFAOYSA-N 1 0 316.383 0.867 20 5 DCBDRO O=C([C@H]1CC[NH2+]C1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171382410 396116375 /nfs/dbraw/zinc/11/63/75/396116375.db2.gz RJKLYVWCLKNPHI-LBPRGKRZSA-N 1 0 304.350 0.853 20 5 DCBDRO C[NH+](C)CCCNC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000072510223 396131345 /nfs/dbraw/zinc/13/13/45/396131345.db2.gz ZHIMJPVFASMMFF-UHFFFAOYSA-N 1 0 322.365 0.783 20 5 DCBDRO O=C(c1ccc([N+](=O)[O-])cc1F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261968915 396084722 /nfs/dbraw/zinc/08/47/22/396084722.db2.gz YRAWSTNHEBFMTG-LBPRGKRZSA-N 1 0 322.340 0.854 20 5 DCBDRO COc1cc(OCC(=O)NC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000178740573 396207278 /nfs/dbraw/zinc/20/72/78/396207278.db2.gz NBQJLQQRUCLGIJ-SNVBAGLBSA-N 1 0 309.322 0.850 20 5 DCBDRO C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC[C@H](C)[NH3+] ZINC000178624379 396200886 /nfs/dbraw/zinc/20/08/86/396200886.db2.gz WKYOQEVFUVEOAA-VHSXEESVSA-N 1 0 308.338 0.567 20 5 DCBDRO COCCN(CC[NH+](C)C)C(=O)CCn1cc([N+](=O)[O-])cn1 ZINC000264239612 396264750 /nfs/dbraw/zinc/26/47/50/396264750.db2.gz ZRDCNWAYTZSTEN-UHFFFAOYSA-N 1 0 313.358 0.218 20 5 DCBDRO CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])[nH]3)C2)CC1 ZINC000264363171 396273996 /nfs/dbraw/zinc/27/39/96/396273996.db2.gz CQZGWCOUYCCBNU-LBPRGKRZSA-N 1 0 321.381 0.775 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000183948038 396279294 /nfs/dbraw/zinc/27/92/94/396279294.db2.gz XSEGZLCXHWAWAG-UHFFFAOYSA-N 1 0 321.337 0.515 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179056096 396219494 /nfs/dbraw/zinc/21/94/94/396219494.db2.gz YFZYLFOENGEVLP-GXFFZTMASA-N 1 0 320.349 0.533 20 5 DCBDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000264639797 396298684 /nfs/dbraw/zinc/29/86/84/396298684.db2.gz FCYLWWPKLHXJRK-CYBMUJFWSA-N 1 0 322.365 0.336 20 5 DCBDRO CN([C@@H]1CC[NH2+]C1)S(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 ZINC000580833499 396503125 /nfs/dbraw/zinc/50/31/25/396503125.db2.gz ROWXUBJLBAFKHX-CYBMUJFWSA-N 1 0 313.379 0.761 20 5 DCBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1ccc(=O)c([N+](=O)[O-])c1 ZINC000290862452 396474420 /nfs/dbraw/zinc/47/44/20/396474420.db2.gz IPYYIVRHXQVDBL-GFCCVEGCSA-N 1 0 324.381 0.993 20 5 DCBDRO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372956099 396556330 /nfs/dbraw/zinc/55/63/30/396556330.db2.gz OOPWZRGBZXJSJN-RYUDHWBXSA-N 1 0 321.333 0.893 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000373057094 396562391 /nfs/dbraw/zinc/56/23/91/396562391.db2.gz NHQRZXFTWUYZIB-ZWNOBZJWSA-N 1 0 311.363 0.967 20 5 DCBDRO O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1n[nH]cc1[N+](=O)[O-] ZINC000584838656 396628545 /nfs/dbraw/zinc/62/85/45/396628545.db2.gz XWJMPSBDZLUESD-UHFFFAOYSA-N 1 0 317.309 0.375 20 5 DCBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1 ZINC000595588128 396635411 /nfs/dbraw/zinc/63/54/11/396635411.db2.gz LBVZWUBOUVIQMM-CQSZACIVSA-N 1 0 324.381 0.949 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c1 ZINC000595633108 396640959 /nfs/dbraw/zinc/64/09/59/396640959.db2.gz MHXPOGXMYKCXEO-XCCSTKFXSA-N 1 0 310.354 0.245 20 5 DCBDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@@H]21 ZINC000374626996 396676975 /nfs/dbraw/zinc/67/69/75/396676975.db2.gz GPQSWCDZTUVSBY-WCFLWFBJSA-N 1 0 307.354 0.767 20 5 DCBDRO [NH3+][C@H]1C[C@H](C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000595943680 396689417 /nfs/dbraw/zinc/68/94/17/396689417.db2.gz QMGOKCIRJHVYPY-HAQNSBGRSA-N 1 0 304.350 0.981 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000588860138 396695677 /nfs/dbraw/zinc/69/56/77/396695677.db2.gz DXSONEYXJHTPMU-ZIAGYGMSSA-N 1 0 319.361 0.805 20 5 DCBDRO O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCC1 ZINC000588869330 396696951 /nfs/dbraw/zinc/69/69/51/396696951.db2.gz MQKCHGDMXMAZPU-LBPRGKRZSA-N 1 0 323.349 0.547 20 5 DCBDRO C[NH+](C)C[C@H](CO)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc21 ZINC000588863784 396697295 /nfs/dbraw/zinc/69/72/95/396697295.db2.gz OLPVMXYGYWRWFN-SECBINFHSA-N 1 0 306.322 0.728 20 5 DCBDRO C[NH2+]C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 ZINC000595982274 396702517 /nfs/dbraw/zinc/70/25/17/396702517.db2.gz DNYAICFNCRFITM-NSHDSACASA-N 1 0 322.365 0.769 20 5 DCBDRO Cc1c(CC(=O)N2CCN(C)C[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000563101741 396702625 /nfs/dbraw/zinc/70/26/25/396702625.db2.gz LMZQTAZQFOQQJN-ZDUSSCGKSA-N 1 0 306.366 0.547 20 5 DCBDRO CO[C@@H](C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000596065622 396713138 /nfs/dbraw/zinc/71/31/38/396713138.db2.gz UZGPOVDNNRTDOO-KBPBESRZSA-N 1 0 312.370 0.947 20 5 DCBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(C(N)=O)c1)N1CC[NH+](C)CC1 ZINC000596104778 396717614 /nfs/dbraw/zinc/71/76/14/396717614.db2.gz NGBVUZPHCCBQHK-LLVKDONJSA-N 1 0 321.381 0.742 20 5 DCBDRO O=C(NCC1=CC[NH2+]CC1)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000563803930 396780155 /nfs/dbraw/zinc/78/01/55/396780155.db2.gz SZZQHUZZINKUAS-UHFFFAOYSA-N 1 0 305.290 0.973 20 5 DCBDRO CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000304326734 396729842 /nfs/dbraw/zinc/72/98/42/396729842.db2.gz SVRHNZZURZSZDB-GXTWGEPZSA-N 1 0 311.386 0.426 20 5 DCBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000316462332 396795792 /nfs/dbraw/zinc/79/57/92/396795792.db2.gz USQPJXHLJUNTLV-UHFFFAOYSA-N 1 0 306.366 0.880 20 5 DCBDRO CC(C)(C[NH3+])C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000316572533 396796305 /nfs/dbraw/zinc/79/63/05/396796305.db2.gz HUJUDRJEQGFRQS-UHFFFAOYSA-N 1 0 307.354 0.623 20 5 DCBDRO NC(=O)c1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc1[N+](=O)[O-] ZINC000596257321 396745970 /nfs/dbraw/zinc/74/59/70/396745970.db2.gz JKPOBPBBSSVZDL-TXEJJXNPSA-N 1 0 320.349 0.969 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCC(CO)([NH2+]CC3CC3)CC2)nc1 ZINC000596263528 396747039 /nfs/dbraw/zinc/74/70/39/396747039.db2.gz GSKFTHIHCAPFBF-UHFFFAOYSA-N 1 0 307.354 0.716 20 5 DCBDRO NC(=O)NC(=O)CC[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000563531041 396748254 /nfs/dbraw/zinc/74/82/54/396748254.db2.gz XDYAJZVPBGEEID-UHFFFAOYSA-N 1 0 319.321 0.793 20 5 DCBDRO C[C@@](CO)([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000322480695 396818772 /nfs/dbraw/zinc/81/87/72/396818772.db2.gz BQCKSFOBYXGLLO-CABCVRRESA-N 1 0 320.349 0.650 20 5 DCBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)nc1 ZINC000590754392 396832257 /nfs/dbraw/zinc/83/22/57/396832257.db2.gz DSUPACFDPBYVRR-CQSZACIVSA-N 1 0 305.338 0.988 20 5 DCBDRO CN(CCN1CC[NH2+]CC1)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000321413745 396815658 /nfs/dbraw/zinc/81/56/58/396815658.db2.gz RPMCBVNHBROUII-UHFFFAOYSA-N 1 0 321.381 0.370 20 5 DCBDRO C[C@@H]([NH3+])CNC(=O)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000591419206 396915844 /nfs/dbraw/zinc/91/58/44/396915844.db2.gz RHUORIGHXAPLTJ-SNVBAGLBSA-N 1 0 320.349 0.549 20 5 DCBDRO C[NH+](C)CCCNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000103249004 289117393 /nfs/dbraw/zinc/11/73/93/289117393.db2.gz MRKJPWJLPLHZES-UHFFFAOYSA-N 1 0 301.368 0.966 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cnn3ccccc23)c1 ZINC000570039361 396938679 /nfs/dbraw/zinc/93/86/79/396938679.db2.gz SAZIJDHTXWRDOQ-ZDUSSCGKSA-N 1 0 316.321 0.590 20 5 DCBDRO Cc1csc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)n1 ZINC000591724808 396992401 /nfs/dbraw/zinc/99/24/01/396992401.db2.gz FBFFLRZKNBEURW-NSHDSACASA-N 1 0 311.367 0.749 20 5 DCBDRO COc1ccccc1[C@H]([NH3+])CNC(=O)Cn1ccc([N+](=O)[O-])n1 ZINC000591681015 396977331 /nfs/dbraw/zinc/97/73/31/396977331.db2.gz MFRMMJXJUJXCDB-LLVKDONJSA-N 1 0 319.321 0.616 20 5 DCBDRO O=C1[C@@H](N2C[C@@H]3C[C@H]2C[NH2+]3)CCN1c1cccc([N+](=O)[O-])c1 ZINC000601327682 397059418 /nfs/dbraw/zinc/05/94/18/397059418.db2.gz VOKSWUVPWCPEAC-BPNCWPANSA-N 1 0 302.334 0.746 20 5 DCBDRO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000572461759 397060346 /nfs/dbraw/zinc/06/03/46/397060346.db2.gz ODOLPABVMALZSY-IAQYHMDHSA-N 1 0 307.350 0.881 20 5 DCBDRO CN(CC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1[N+](=O)[O-] ZINC000573001719 397124447 /nfs/dbraw/zinc/12/44/47/397124447.db2.gz WFGCJYMDLVAOIJ-LBPRGKRZSA-N 1 0 321.381 0.132 20 5 DCBDRO NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000612789047 397138365 /nfs/dbraw/zinc/13/83/65/397138365.db2.gz HMDLKFVORJQKBO-LBPRGKRZSA-N 1 0 320.353 0.303 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCO1 ZINC000592310056 397149613 /nfs/dbraw/zinc/14/96/13/397149613.db2.gz AFACYFUZNUMFKF-GWCFXTLKSA-N 1 0 309.322 0.548 20 5 DCBDRO CC[NH2+]CCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000592365762 397160358 /nfs/dbraw/zinc/16/03/58/397160358.db2.gz APUCMMWWYJECOG-UHFFFAOYSA-N 1 0 317.367 0.881 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCO1 ZINC000592428650 397174136 /nfs/dbraw/zinc/17/41/36/397174136.db2.gz KWJWTNMAPRKPAI-MEBBXXQBSA-N 1 0 323.349 0.914 20 5 DCBDRO CC[C@H](C)C[C@H](CO)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000592430178 397174730 /nfs/dbraw/zinc/17/47/30/397174730.db2.gz GZNHQDDYWIRCPO-DMDPSCGWSA-N 1 0 300.359 0.539 20 5 DCBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000601422255 397113595 /nfs/dbraw/zinc/11/35/95/397113595.db2.gz RJEYQUAPBPEFJV-NXEZZACHSA-N 1 0 314.367 0.703 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCO1 ZINC000592475092 397185799 /nfs/dbraw/zinc/18/57/99/397185799.db2.gz NFUGBWMWWWPIPF-SMDDNHRTSA-N 1 0 322.365 0.971 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000592557619 397214717 /nfs/dbraw/zinc/21/47/17/397214717.db2.gz LJKVPYWXXBRYCL-QWRGUYRKSA-N 1 0 308.342 0.034 20 5 DCBDRO O=C(CNC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[NH2+]C1 ZINC000598661231 397269818 /nfs/dbraw/zinc/26/98/18/397269818.db2.gz DVZYQJVPALLIGK-NSHDSACASA-N 1 0 321.337 0.585 20 5 DCBDRO [NH3+][C@H]1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000598663199 397269995 /nfs/dbraw/zinc/26/99/95/397269995.db2.gz UXVPNWTVJMQPCQ-VIFPVBQESA-N 1 0 307.310 0.276 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598669689 397272064 /nfs/dbraw/zinc/27/20/64/397272064.db2.gz MQHYBDXBBJNIQZ-SMDDNHRTSA-N 1 0 307.354 0.830 20 5 DCBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598914062 397306495 /nfs/dbraw/zinc/30/64/95/397306495.db2.gz WUHGWKKXKUFMQL-UWVGGRQHSA-N 1 0 306.322 0.729 20 5 DCBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598915786 397307860 /nfs/dbraw/zinc/30/78/60/397307860.db2.gz OTCZZCSHIRDAGX-WPRPVWTQSA-N 1 0 310.285 0.350 20 5 DCBDRO COC(=O)c1ccnc(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000598632569 397264816 /nfs/dbraw/zinc/26/48/16/397264816.db2.gz GOJPGRITAKCYMG-GXSJLCMTSA-N 1 0 306.322 0.917 20 5 DCBDRO C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599098869 397335590 /nfs/dbraw/zinc/33/55/90/397335590.db2.gz ZSYDUOUFZXTEBM-DTWKUNHWSA-N 1 0 317.371 0.219 20 5 DCBDRO C[C@H](CO)C1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000593085816 397321908 /nfs/dbraw/zinc/32/19/08/397321908.db2.gz XQCBZHMJUFCBNF-RISCZKNCSA-N 1 0 312.370 0.493 20 5 DCBDRO C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000578442567 397436601 /nfs/dbraw/zinc/43/66/01/397436601.db2.gz YAHOXDQVYSORHM-UWVGGRQHSA-N 1 0 314.367 0.880 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000369998407 397446236 /nfs/dbraw/zinc/44/62/36/397446236.db2.gz RVFXQXFFJWDIDM-UONOGXRCSA-N 1 0 309.370 0.322 20 5 DCBDRO COc1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c([N+](=O)[O-])cc1OC ZINC000602604423 397447757 /nfs/dbraw/zinc/44/77/57/397447757.db2.gz QONSOZCCCWACDZ-IUCAKERBSA-N 1 0 307.306 0.798 20 5 DCBDRO O=C(CN1CC[NH2+]CC1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602455336 397406333 /nfs/dbraw/zinc/40/63/33/397406333.db2.gz WDZJKWWCTRRFOD-UHFFFAOYSA-N 1 0 320.393 0.939 20 5 DCBDRO COC(=O)c1cc(NC(=O)[C@H](N)CC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000593901679 397471519 /nfs/dbraw/zinc/47/15/19/397471519.db2.gz GHJLYWBNSXGRIK-GFCCVEGCSA-N 1 0 324.337 0.599 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593915868 397478013 /nfs/dbraw/zinc/47/80/13/397478013.db2.gz ZESJEATXHQJPGG-FZMZJTMJSA-N 1 0 307.354 0.687 20 5 DCBDRO O=C1NCC[C@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000593981829 397489471 /nfs/dbraw/zinc/48/94/71/397489471.db2.gz URKHHHBCQHQZLH-NSHDSACASA-N 1 0 307.354 0.954 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000602810615 397491215 /nfs/dbraw/zinc/49/12/15/397491215.db2.gz HFUREBDPJGOBEY-NEPJUHHUSA-N 1 0 311.386 0.487 20 5 DCBDRO COCC[N@H+](C)C[C@H](O)CN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000593962651 397487407 /nfs/dbraw/zinc/48/74/07/397487407.db2.gz VRQCXPRMTLOFRV-INIZCTEOSA-N 1 0 323.393 0.892 20 5 DCBDRO CN1CCN(C(=O)CNc2ccccc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000579354829 397557362 /nfs/dbraw/zinc/55/73/62/397557362.db2.gz DTWAMEWAGHLKSY-NSHDSACASA-N 1 0 307.354 0.108 20 5 DCBDRO CC[C@H](C[C@@H](C)CO)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579474678 397573124 /nfs/dbraw/zinc/57/31/24/397573124.db2.gz IRQLGLHSLVFYDQ-WZRBSPASSA-N 1 0 300.359 0.539 20 5 DCBDRO CNc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1[N+](=O)[O-] ZINC000579121953 397526954 /nfs/dbraw/zinc/52/69/54/397526954.db2.gz QVSVSMHITFUKGN-LLVKDONJSA-N 1 0 307.354 0.270 20 5 DCBDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579746023 397591932 /nfs/dbraw/zinc/59/19/32/397591932.db2.gz JGSLWZLOTLOHIK-JOYOIKCWSA-N 1 0 308.342 0.545 20 5 DCBDRO CCc1noc(C)c1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000579824857 397593914 /nfs/dbraw/zinc/59/39/14/397593914.db2.gz XBRNHWZHXXMOKL-LLVKDONJSA-N 1 0 309.326 0.801 20 5 DCBDRO COCC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000609269889 397768018 /nfs/dbraw/zinc/76/80/18/397768018.db2.gz YYZOUZBEIZGOHJ-LLVKDONJSA-N 1 0 311.342 0.018 20 5 DCBDRO C[NH+](C)C[C@H]1CCN(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000609619919 397786331 /nfs/dbraw/zinc/78/63/31/397786331.db2.gz PJMSWGRXLVUQPW-LLVKDONJSA-N 1 0 308.338 0.167 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000610336521 397814517 /nfs/dbraw/zinc/81/45/17/397814517.db2.gz VCSOJKQIBAZLQL-OCCSQVGLSA-N 1 0 320.353 0.686 20 5 DCBDRO CC(C)[NH2+][C@H]1CCCN(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000610390993 397816918 /nfs/dbraw/zinc/81/69/18/397816918.db2.gz GRVHIBHOIPURID-GXTWGEPZSA-N 1 0 311.386 0.615 20 5 DCBDRO O=[N+]([O-])c1cnn(CCN2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000610447937 397822211 /nfs/dbraw/zinc/82/22/11/397822211.db2.gz WGSGYZQKXCBRGB-OAHLLOKOSA-N 1 0 323.397 0.978 20 5 DCBDRO C[NH+](C)[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1CCCCC1 ZINC000063803940 158031173 /nfs/dbraw/zinc/03/11/73/158031173.db2.gz RWKNVFBAQLRPMI-GFCCVEGCSA-N 1 0 324.385 0.813 20 5 DCBDRO C[NH+](C)CCCNC(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000114675149 158155847 /nfs/dbraw/zinc/15/58/47/158155847.db2.gz RXGDMMCOPBVIOL-UHFFFAOYSA-N 1 0 309.322 0.854 20 5 DCBDRO O=C(CC[N@H+]1C[C@@H](O)C[C@H]1CO)Nc1ccc([N+](=O)[O-])cc1 ZINC000186503283 158531966 /nfs/dbraw/zinc/53/19/66/158531966.db2.gz RSUHKHOMLUHFTN-STQMWFEESA-N 1 0 309.322 0.351 20 5 DCBDRO Cn1cc(C(=O)NCC2C[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261938337 158756658 /nfs/dbraw/zinc/75/66/58/158756658.db2.gz GBGKUJZXCYZOFK-UHFFFAOYSA-N 1 0 315.333 0.945 20 5 DCBDRO COC(=O)COc1ccc(CN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000261957340 158758919 /nfs/dbraw/zinc/75/89/19/158758919.db2.gz OTIULWNNNCZMHU-UHFFFAOYSA-N 1 0 309.322 0.552 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262572984 158827281 /nfs/dbraw/zinc/82/72/81/158827281.db2.gz SPIFSTXPVPWDRK-LLVKDONJSA-N 1 0 309.322 0.598 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000323071825 159012498 /nfs/dbraw/zinc/01/24/98/159012498.db2.gz ONDBGLYCFMFMQU-KOLCDFICSA-N 1 0 321.337 0.165 20 5 DCBDRO C[NH+](C)CCOC1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000330508152 159183382 /nfs/dbraw/zinc/18/33/82/159183382.db2.gz AHVGAGPQTMBPRP-UHFFFAOYSA-N 1 0 311.342 0.501 20 5 DCBDRO CC[N@@H+]1C[C@H](C)N(C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C[C@H]1C ZINC000330588478 159198212 /nfs/dbraw/zinc/19/82/12/159198212.db2.gz UEDCRTRZWWYGCB-MBNYWOFBSA-N 1 0 311.386 0.567 20 5 DCBDRO CCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000368362206 159389523 /nfs/dbraw/zinc/38/95/23/159389523.db2.gz NRIYBJDRYKSRCN-MSRIBSCDSA-N 1 0 321.333 0.950 20 5 DCBDRO CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)n1 ZINC000408370122 160093901 /nfs/dbraw/zinc/09/39/01/160093901.db2.gz HFPWTCYCZPHIOK-GHMZBOCLSA-N 1 0 307.354 0.977 20 5 DCBDRO CNS(=O)(=O)c1ccc(N2CC[C@H]([NH2+]C)C2)c([N+](=O)[O-])c1 ZINC000133104655 287009197 /nfs/dbraw/zinc/00/91/97/287009197.db2.gz ALOYYFDUDAJXNE-VIFPVBQESA-N 1 0 314.367 0.301 20 5 DCBDRO C[NH+]1CCN(CCNC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255167395 287123295 /nfs/dbraw/zinc/12/32/95/287123295.db2.gz JJKQZIWZQYUQJD-SREVYHEPSA-N 1 0 318.377 0.972 20 5 DCBDRO [NH3+]C[C@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCO1 ZINC000420385728 287294766 /nfs/dbraw/zinc/29/47/66/287294766.db2.gz HWQPNFGPLQDRQR-LBPRGKRZSA-N 1 0 322.365 0.973 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](C2CCCC2)CC1 ZINC000045086292 415242629 /nfs/dbraw/zinc/24/26/29/415242629.db2.gz OQZAUDWEXWSPLJ-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2COC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000352820524 415336964 /nfs/dbraw/zinc/33/69/64/415336964.db2.gz YXZAFDBSSAJBGB-KGLIPLIRSA-N 1 0 323.349 0.923 20 5 DCBDRO Nc1c(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(F)cc1[N+](=O)[O-] ZINC000289959312 415742546 /nfs/dbraw/zinc/74/25/46/415742546.db2.gz WXOLOCTYLHIDOJ-DTWKUNHWSA-N 1 0 308.313 0.998 20 5 DCBDRO C[NH2+]CCCNS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000122972017 415840431 /nfs/dbraw/zinc/84/04/31/415840431.db2.gz VZMXVKGFJABMOL-UHFFFAOYSA-N 1 0 303.340 0.491 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000127852831 415890822 /nfs/dbraw/zinc/89/08/22/415890822.db2.gz BVADPJGUAHOFDG-QWRGUYRKSA-N 1 0 307.354 0.885 20 5 DCBDRO O=[N+]([O-])c1ccc(Nc2ccn(CCN3CCOCC3)n2)cn1 ZINC000344409814 415908810 /nfs/dbraw/zinc/90/88/10/415908810.db2.gz APCGRMGFOQXKPV-UHFFFAOYSA-N 1 0 318.337 1.262 20 5 DCBDRO CNC(=O)c1ccc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000299069244 416048897 /nfs/dbraw/zinc/04/88/97/416048897.db2.gz OOOMTTZRWDJULD-UHFFFAOYSA-N 1 0 321.381 0.614 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)c([N+](=O)[O-])n1 ZINC000344896230 416004137 /nfs/dbraw/zinc/00/41/37/416004137.db2.gz GKDZBODKZQGEGI-QMMMGPOBSA-N 1 0 305.360 0.040 20 5 DCBDRO C[C@H](O)C[N@H+](CCO)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000298509300 416012024 /nfs/dbraw/zinc/01/20/24/416012024.db2.gz KNRSOHYMEWYXAX-NSHDSACASA-N 1 0 311.338 0.599 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCC(CO)CC1 ZINC000305252745 416104233 /nfs/dbraw/zinc/10/42/33/416104233.db2.gz VPFBBAUYIBZXJX-YIZWMMSDSA-N 1 0 312.370 0.635 20 5 DCBDRO Nc1cc(N)[nH+]c(SCCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000179028782 416180788 /nfs/dbraw/zinc/18/07/88/416180788.db2.gz WZGSMULYZNMXCX-UHFFFAOYSA-N 1 0 308.323 0.503 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000358065165 416185201 /nfs/dbraw/zinc/18/52/01/416185201.db2.gz MSFRKOOIOVZSQW-AWEZNQCLSA-N 1 0 309.322 0.156 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCO[C@H](C[NH3+])C1 ZINC000358131517 416198422 /nfs/dbraw/zinc/19/84/22/416198422.db2.gz BOPQNILTPDIBAP-GFCCVEGCSA-N 1 0 308.338 0.501 20 5 DCBDRO Cc1c(NC(=O)CCN2CCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000358129291 416198438 /nfs/dbraw/zinc/19/84/38/416198438.db2.gz RWAUOWJPJWFWQB-GFCCVEGCSA-N 1 0 322.365 0.891 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCO[C@H](C[NH3+])C1 ZINC000358139921 416201124 /nfs/dbraw/zinc/20/11/24/416201124.db2.gz SBYOLMIUFOVCSU-CYBMUJFWSA-N 1 0 322.365 0.891 20 5 DCBDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000359085198 416305704 /nfs/dbraw/zinc/30/57/04/416305704.db2.gz HZPAULVNDPXEKV-NSHDSACASA-N 1 0 309.370 0.299 20 5 DCBDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000415392854 416341455 /nfs/dbraw/zinc/34/14/55/416341455.db2.gz YOCJCLOFXKKBIV-WCBMZHEXSA-N 1 0 309.326 0.646 20 5 DCBDRO Cc1c(NC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)cccc1[N+](=O)[O-] ZINC000415539566 416346901 /nfs/dbraw/zinc/34/69/01/416346901.db2.gz MPLFQEVFXMRMQG-SNVBAGLBSA-N 1 0 306.322 0.695 20 5 DCBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415865972 416356362 /nfs/dbraw/zinc/35/63/62/416356362.db2.gz JIQIQQYVIAASFM-WDEREUQCSA-N 1 0 318.333 0.601 20 5 DCBDRO C[C@@H]1CN(CC[N@H+](C)CCn2cc([N+](=O)[O-])cn2)C[C@H](C)O1 ZINC000195306178 416325981 /nfs/dbraw/zinc/32/59/81/416325981.db2.gz KSIUKZXQUSMCAG-BETUJISGSA-N 1 0 311.386 0.832 20 5 DCBDRO COCC[NH2+]CCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000216077489 416327487 /nfs/dbraw/zinc/32/74/87/416327487.db2.gz SIEDGPZMEXFPAJ-UHFFFAOYSA-N 1 0 317.367 0.646 20 5 DCBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](O)CN(C)C ZINC000361215244 416426041 /nfs/dbraw/zinc/42/60/41/416426041.db2.gz IEKWMJBNDPAGDB-RISCZKNCSA-N 1 0 324.381 0.824 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423608565 416526953 /nfs/dbraw/zinc/52/69/53/416526953.db2.gz NWOCENBROPMZEW-LLVKDONJSA-N 1 0 322.365 0.747 20 5 DCBDRO CN1CCNC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423502696 416517052 /nfs/dbraw/zinc/51/70/52/416517052.db2.gz FGVQDTPVOCYKER-HZSPNIEDSA-N 1 0 322.413 0.768 20 5 DCBDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccnc(N)c1[N+](=O)[O-])C2 ZINC000597709728 416597431 /nfs/dbraw/zinc/59/74/31/416597431.db2.gz ANNPRQQBBWUGBH-HNNXBMFYSA-N 1 0 319.365 1.130 20 5 DCBDRO C[NH2+]CCCN(C)C(=O)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000424028538 416606666 /nfs/dbraw/zinc/60/66/66/416606666.db2.gz DCWHKWHHANOLOH-LLVKDONJSA-N 1 0 322.365 0.781 20 5 DCBDRO [NH3+][C@H]1Cc2ccccc2N(C(=O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000424068126 416609034 /nfs/dbraw/zinc/60/90/34/416609034.db2.gz ALEPBHPIPYTPJW-NSHDSACASA-N 1 0 301.306 0.708 20 5 DCBDRO C[NH+](C)C1CCN(CCNc2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000596152383 416578454 /nfs/dbraw/zinc/57/84/54/416578454.db2.gz WGDSYZFQXYLERO-UHFFFAOYSA-N 1 0 308.386 1.010 20 5 DCBDRO COc1cc(S(=O)(=O)NC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000440413887 416634197 /nfs/dbraw/zinc/63/41/97/416634197.db2.gz UZBPWKPFXXNIIF-JTQLQIEISA-N 1 0 317.367 0.865 20 5 DCBDRO COc1ccc(CC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000514937539 416683843 /nfs/dbraw/zinc/68/38/43/416683843.db2.gz QAHGYKAWDPZFAD-LBPRGKRZSA-N 1 0 322.365 0.247 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@H]1[NH2+]CCc2ccccc21 ZINC000514673779 416669319 /nfs/dbraw/zinc/66/93/19/416669319.db2.gz KXNHDXVSLBZHNX-AWEZNQCLSA-N 1 0 315.333 0.795 20 5 DCBDRO Nc1nccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000548387060 416687753 /nfs/dbraw/zinc/68/77/53/416687753.db2.gz QHALKBWFLJZLRC-SNVBAGLBSA-N 1 0 305.338 0.882 20 5 DCBDRO O=c1c2c(ncn1Cc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000517028315 416771032 /nfs/dbraw/zinc/77/10/32/416771032.db2.gz AXEHSYWKXONVIN-UHFFFAOYSA-N 1 0 300.318 0.888 20 5 DCBDRO C[C@H]1CC(=O)NCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000369441470 416776481 /nfs/dbraw/zinc/77/64/81/416776481.db2.gz ULFKYDQIHLIRFZ-WCQYABFASA-N 1 0 323.349 0.545 20 5 DCBDRO CC[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000429100438 287334789 /nfs/dbraw/zinc/33/47/89/287334789.db2.gz FTXAUIHWDLWQEM-JTQLQIEISA-N 1 0 324.337 0.518 20 5 DCBDRO [NH3+][C@H]1C[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])CCN2C1=O ZINC000565239886 416955756 /nfs/dbraw/zinc/95/57/56/416955756.db2.gz NMWBLBPILRZDFH-NEPJUHHUSA-N 1 0 324.768 0.992 20 5 DCBDRO C[C@@H]1CN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000565431188 416975687 /nfs/dbraw/zinc/97/56/87/416975687.db2.gz IAKSMQBBDHHHHF-JTQLQIEISA-N 1 0 319.365 1.128 20 5 DCBDRO CCn1cc(S(=O)(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000447251052 416977941 /nfs/dbraw/zinc/97/79/41/416977941.db2.gz XNBAJAUISDJNAP-IUCAKERBSA-N 1 0 317.371 0.169 20 5 DCBDRO NC(=O)c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000447910052 417039201 /nfs/dbraw/zinc/03/92/01/417039201.db2.gz CLWBSWCWRXRQMA-AAEUAGOBSA-N 1 0 309.322 0.323 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000447919401 417042719 /nfs/dbraw/zinc/04/27/19/417042719.db2.gz DYIXVJBSSJNEDX-KBPBESRZSA-N 1 0 323.349 0.971 20 5 DCBDRO CN(CC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1[N+](=O)[O-] ZINC000449706592 417169575 /nfs/dbraw/zinc/16/95/75/417169575.db2.gz BHVAOTLUJTYLLR-GFCCVEGCSA-N 1 0 322.365 0.526 20 5 DCBDRO C[C@H]1C[N@H+](CCCNc2ncc([N+](=O)[O-])c(N)n2)CCCO1 ZINC000432872285 417209480 /nfs/dbraw/zinc/20/94/80/417209480.db2.gz LQFXYUXDWDLHJF-JTQLQIEISA-N 1 0 310.358 0.302 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000527066272 417210788 /nfs/dbraw/zinc/21/07/88/417210788.db2.gz LBPHFLAOLFPAJK-UHFFFAOYSA-N 1 0 310.354 0.972 20 5 DCBDRO C[C@@H](O)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000569096931 417213887 /nfs/dbraw/zinc/21/38/87/417213887.db2.gz VPOPAPPKCLCEKU-VHSXEESVSA-N 1 0 302.352 0.727 20 5 DCBDRO COc1ncccc1CC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000569096981 417214169 /nfs/dbraw/zinc/21/41/69/417214169.db2.gz YCRGQICIGYJPOL-CYBMUJFWSA-N 1 0 321.337 0.388 20 5 DCBDRO CO[C@]1(C)C[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000451493603 417355184 /nfs/dbraw/zinc/35/51/84/417355184.db2.gz RNJIDDPZKQGVNL-MBNYWOFBSA-N 1 0 312.370 0.945 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000570606145 417370931 /nfs/dbraw/zinc/37/09/31/417370931.db2.gz DGANVSXYVNJKKM-KBPBESRZSA-N 1 0 323.349 0.740 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000415357703 417373710 /nfs/dbraw/zinc/37/37/10/417373710.db2.gz JBLRWUNMUGFKGS-LLVKDONJSA-N 1 0 320.349 0.957 20 5 DCBDRO COCC1(CNC(=O)Nc2ccncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000415382687 417377783 /nfs/dbraw/zinc/37/77/83/417377783.db2.gz KWIRLWBLEFTGRH-UHFFFAOYSA-N 1 0 323.353 0.549 20 5 DCBDRO Nc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452374574 417477727 /nfs/dbraw/zinc/47/77/27/417477727.db2.gz WZWVDBDVQUDZLL-JTQLQIEISA-N 1 0 323.353 0.149 20 5 DCBDRO CNc1nc(C(=O)N2CC[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC000456032392 417623243 /nfs/dbraw/zinc/62/32/43/417623243.db2.gz ULKFDKDPAAIKDO-UHFFFAOYSA-N 1 0 305.338 0.952 20 5 DCBDRO C[C@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1C1CC[NH+](C)CC1 ZINC000354742286 261266082 /nfs/dbraw/zinc/26/60/82/261266082.db2.gz ZJQPNGHQWBOMIC-LBPRGKRZSA-N 1 0 322.413 0.933 20 5 DCBDRO Cc1c(NC(=O)[C@H](C)N2CCO[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000358157219 261641728 /nfs/dbraw/zinc/64/17/28/261641728.db2.gz VBFQWZRNYVFWLS-NWDGAFQWSA-N 1 0 322.365 0.890 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCO1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000418757736 262287469 /nfs/dbraw/zinc/28/74/69/262287469.db2.gz DYKVHUSFAGPSIW-CQSZACIVSA-N 1 0 320.349 0.651 20 5 DCBDRO C[C@@H](NC(=O)C(=O)N1CC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418775829 262289341 /nfs/dbraw/zinc/28/93/41/262289341.db2.gz FDVLPUKMKNCIKB-MWLCHTKSSA-N 1 0 306.322 0.332 20 5 DCBDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000419152899 262313810 /nfs/dbraw/zinc/31/38/10/262313810.db2.gz ORVMHSBBNJIEPB-QWRGUYRKSA-N 1 0 320.349 0.592 20 5 DCBDRO [NH3+][C@@H]1CCCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000420272321 262368687 /nfs/dbraw/zinc/36/86/87/262368687.db2.gz LUUJKXSRGORUKO-LLVKDONJSA-N 1 0 313.379 0.792 20 5 DCBDRO [NH3+]C[C@H]1CCCN1S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420463870 262374528 /nfs/dbraw/zinc/37/45/28/262374528.db2.gz UJUFEBUODYEUOZ-GFCCVEGCSA-N 1 0 313.379 0.890 20 5 DCBDRO CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000422941436 262423816 /nfs/dbraw/zinc/42/38/16/262423816.db2.gz IEZUMFHHMASSCH-SMDDNHRTSA-N 1 0 323.349 0.987 20 5 DCBDRO C[NH2+][C@H](C)CNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000423602700 262449560 /nfs/dbraw/zinc/44/95/60/262449560.db2.gz AAPIUONDIYXBFG-SNVBAGLBSA-N 1 0 308.338 0.357 20 5 DCBDRO C[C@@H]([NH3+])CCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420425167 271368879 /nfs/dbraw/zinc/36/88/79/271368879.db2.gz UBIAHHYQSDUUMU-SNVBAGLBSA-N 1 0 301.368 0.794 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCO1 ZINC000493256162 272177962 /nfs/dbraw/zinc/17/79/62/272177962.db2.gz NZCOPPWASBAGHL-FXMSTWTQSA-N 1 0 309.297 0.933 20 5 DCBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCOCC3)CC2)nc1 ZINC000273128386 275040716 /nfs/dbraw/zinc/04/07/16/275040716.db2.gz BDXRGTNHMGCALB-UHFFFAOYSA-N 1 0 307.354 0.933 20 5 DCBDRO C[N@@H+]1CCC[C@@H](N2CCN(c3ncc([N+](=O)[O-])cn3)CC2)C1 ZINC000368706538 277053864 /nfs/dbraw/zinc/05/38/64/277053864.db2.gz GDVKCBKLSIJCBB-GFCCVEGCSA-N 1 0 306.370 0.601 20 5 DCBDRO COC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000262338505 277566874 /nfs/dbraw/zinc/56/68/74/277566874.db2.gz UCOPBPLGJYWKRG-LLVKDONJSA-N 1 0 308.338 0.217 20 5 DCBDRO C[C@H]1C[NH+](CCCNC(=O)c2c[nH]nc2[N+](=O)[O-])C[C@H](C)O1 ZINC000547756694 288076238 /nfs/dbraw/zinc/07/62/38/288076238.db2.gz BUBOSDPLIFGWDP-UWVGGRQHSA-N 1 0 311.342 0.547 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000272621564 279187933 /nfs/dbraw/zinc/18/79/33/279187933.db2.gz LVYHSWNJCWETHO-GHMZBOCLSA-N 1 0 307.354 0.803 20 5 DCBDRO O=C(Cc1ccccc1[N+](=O)[O-])NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000552208102 288268925 /nfs/dbraw/zinc/26/89/25/288268925.db2.gz DJNOSUCFUBBZKT-INIZCTEOSA-N 1 0 319.361 0.710 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)NCC1([NH3+])CCC1 ZINC000342584098 280980146 /nfs/dbraw/zinc/98/01/46/280980146.db2.gz HRTVIWMRRCUSGB-JTQLQIEISA-N 1 0 324.385 0.825 20 5 DCBDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562824489 288602331 /nfs/dbraw/zinc/60/23/31/288602331.db2.gz UZUZTVFWTWNPGQ-GFCCVEGCSA-N 1 0 322.365 0.701 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@H](CO)CC2CCCC2)c1 ZINC000564978446 288801162 /nfs/dbraw/zinc/80/11/62/288801162.db2.gz NCQKNXFRJHNYMF-GXTWGEPZSA-N 1 0 312.370 0.683 20 5 DCBDRO [NH3+]CC1(O)CCN(C(=O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000582359609 336942580 /nfs/dbraw/zinc/94/25/80/336942580.db2.gz WVHGRPVUZNHNIP-UHFFFAOYSA-N 1 0 309.322 0.286 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@H](C)C[C@H](C)[NH3+])c([N+](=O)[O-])n1 ZINC000576636678 341856257 /nfs/dbraw/zinc/85/62/57/341856257.db2.gz MRCQYTCKYCRWRX-JGVFFNPUSA-N 1 0 305.360 0.215 20 5 DCBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)C1 ZINC000266302956 520738994 /nfs/dbraw/zinc/73/89/94/520738994.db2.gz KSRYBAWFBQIDHT-GFCCVEGCSA-N 1 0 309.370 0.982 20 5 DCBDRO C[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)[C@@H](CO)c1ccccc1 ZINC000266524039 523102489 /nfs/dbraw/zinc/10/24/89/523102489.db2.gz JVRVUVCOVYRQGU-GJZGRUSLSA-N 1 0 320.349 0.818 20 5 DCBDRO COC(=O)[C@@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000266566842 523686276 /nfs/dbraw/zinc/68/62/76/523686276.db2.gz ZXAFYLSKSNGXPX-PWSUYJOCSA-N 1 0 312.326 0.037 20 5 DCBDRO CN(CC[NH+](C)C)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000267864642 524059612 /nfs/dbraw/zinc/05/96/12/524059612.db2.gz ICBGHNYSWXAXAO-UHFFFAOYSA-N 1 0 309.322 0.806 20 5 DCBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246965463 525089306 /nfs/dbraw/zinc/08/93/06/525089306.db2.gz LKWOWJOBNYTJIQ-DYEKYZERSA-N 1 0 309.370 0.321 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000237241878 525448521 /nfs/dbraw/zinc/44/85/21/525448521.db2.gz NLKAETCXKKENBJ-UHFFFAOYSA-N 1 0 322.365 0.629 20 5 DCBDRO C[C@H](O)C[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000189370643 525769660 /nfs/dbraw/zinc/76/96/60/525769660.db2.gz UTXYKTSSMUDRTK-ZDUSSCGKSA-N 1 0 309.366 0.972 20 5 DCBDRO Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H]1C[NH2+]CCO1 ZINC000157392670 525931151 /nfs/dbraw/zinc/93/11/51/525931151.db2.gz KHUVBJZHGMDQMT-SNVBAGLBSA-N 1 0 315.351 0.170 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000262238454 527053301 /nfs/dbraw/zinc/05/33/01/527053301.db2.gz RFEDFFGSMDFTBS-JTQLQIEISA-N 1 0 301.306 0.872 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CCCOCC1 ZINC000189448706 527245416 /nfs/dbraw/zinc/24/54/16/527245416.db2.gz AOLWAGYFIGDRGS-UHFFFAOYSA-N 1 0 307.350 0.976 20 5 DCBDRO [NH3+][C@@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000237979893 527332420 /nfs/dbraw/zinc/33/24/20/527332420.db2.gz CSWOFZCPEUNNPX-ZDUSSCGKSA-N 1 0 303.322 0.998 20 5 DCBDRO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000366323626 527355573 /nfs/dbraw/zinc/35/55/73/527355573.db2.gz WZAFPACZYVCFQI-VROVMSAKSA-N 1 0 317.754 0.744 20 5 DCBDRO Nc1c(C(=O)NCCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000238061887 527426223 /nfs/dbraw/zinc/42/62/23/527426223.db2.gz UGZKFUBSCAJDFY-UHFFFAOYSA-N 1 0 307.354 0.202 20 5 DCBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262566934 527655034 /nfs/dbraw/zinc/65/50/34/527655034.db2.gz YDXDFKWGKYTFBD-ZIAGYGMSSA-N 1 0 307.350 0.757 20 5 DCBDRO CCOC[C@H]1CCC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000174789091 529019942 /nfs/dbraw/zinc/01/99/42/529019942.db2.gz CQKGIDSSWNIYGX-JSGCOSHPSA-N 1 0 312.370 0.901 20 5 DCBDRO CC(C)(C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)n1cc([N+](=O)[O-])cn1 ZINC000424034004 660731765 /nfs/dbraw/zinc/73/17/65/660731765.db2.gz ZDTMUGOEYIVJQY-AWEZNQCLSA-N 1 0 307.354 0.881 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1cn[nH]n1 ZINC001022352172 657783400 /nfs/dbraw/zinc/78/34/00/657783400.db2.gz MDAFJFRXDJIKCI-PHIMTYICSA-N 1 0 316.321 0.764 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1)c1nnc[nH]1 ZINC001022869265 658714708 /nfs/dbraw/zinc/71/47/08/658714708.db2.gz UMLNNOGWMYBNOW-PHIMTYICSA-N 1 0 316.321 0.764 20 5 DCBDRO Cc1ncsc1C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022064086 658816014 /nfs/dbraw/zinc/81/60/14/658816014.db2.gz VLOCNTITNWMNSW-LMLFDSFASA-N 1 0 310.379 0.854 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]21)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001025776076 659557359 /nfs/dbraw/zinc/55/73/59/659557359.db2.gz WFWZPBOUFXNPIJ-ZIQFBCGOSA-N 1 0 315.320 0.743 20 5 DCBDRO C[C@@H]1C[N@H+](CCCOC(=O)Cn2cc([N+](=O)[O-])cn2)CCO1 ZINC000893390419 659621907 /nfs/dbraw/zinc/62/19/07/659621907.db2.gz FOKWVWXCEYKBTO-LLVKDONJSA-N 1 0 312.326 0.445 20 5 DCBDRO Cc1c(F)ccc([N+](=O)[O-])c1C(=O)NC[C@@H]1C[C@H](O)C[N@H+]1C ZINC000924975368 661822442 /nfs/dbraw/zinc/82/24/42/661822442.db2.gz DGBGHDVZAVDHGI-UWVGGRQHSA-N 1 0 311.313 0.837 20 5 DCBDRO Cc1ncc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)o1 ZINC000983657167 662002111 /nfs/dbraw/zinc/00/21/11/662002111.db2.gz IQVMXNBTLVGOKP-FPQZTECRSA-N 1 0 308.338 0.633 20 5 DCBDRO CCc1nn(C)c(N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)c1[N+](=O)[O-] ZINC000895247496 662155895 /nfs/dbraw/zinc/15/58/95/662155895.db2.gz UTZBDABLKWUGQE-PWSUYJOCSA-N 1 0 310.402 0.937 20 5 DCBDRO CN1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC[N@H+](C)CC1 ZINC000897095918 662391392 /nfs/dbraw/zinc/39/13/92/662391392.db2.gz WYOSJAPXRNQJFW-UHFFFAOYSA-N 1 0 319.369 0.321 20 5 DCBDRO CCC[NH2+]CCNS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000054266451 662429015 /nfs/dbraw/zinc/42/90/15/662429015.db2.gz QXWSWXHYOXTDPE-UHFFFAOYSA-N 1 0 317.367 0.881 20 5 DCBDRO Cc1nn(CN2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c(C)c1[N+](=O)[O-] ZINC000902645712 663425815 /nfs/dbraw/zinc/42/58/15/663425815.db2.gz YGWKIYSEGOOQDL-KBPBESRZSA-N 1 0 323.397 0.897 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000903874487 663491138 /nfs/dbraw/zinc/49/11/38/663491138.db2.gz BUOGMXFNLWRFKT-ZDUSSCGKSA-N 1 0 322.365 0.762 20 5 DCBDRO COC[C@H]1C[NH2+]CCN1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000903877810 663492110 /nfs/dbraw/zinc/49/21/10/663492110.db2.gz WYKBMVWZMVKINC-CQSZACIVSA-N 1 0 322.365 0.844 20 5 DCBDRO C[C@H]1CN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC[NH2+]1 ZINC000911811384 664112166 /nfs/dbraw/zinc/11/21/66/664112166.db2.gz ONKADPGKVBHESA-IINYFYTJSA-N 1 0 318.333 0.908 20 5 DCBDRO COc1cccc(C(=O)N(C)CC[N@H+](C)CCO)c1[N+](=O)[O-] ZINC000912604874 664192630 /nfs/dbraw/zinc/19/26/30/664192630.db2.gz UKLFYPHUDYHGQA-UHFFFAOYSA-N 1 0 311.338 0.600 20 5 DCBDRO CCS(=O)(=O)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000231656832 664630595 /nfs/dbraw/zinc/63/05/95/664630595.db2.gz IVTJWVXCQPUGQR-LBPRGKRZSA-N 1 0 302.352 0.653 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000929460270 664648643 /nfs/dbraw/zinc/64/86/43/664648643.db2.gz PQQKTGDRKSCJBN-UHFFFAOYSA-N 1 0 309.370 0.900 20 5 DCBDRO O=C(NCC1C[NH+](CCc2ccns2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031662530 665273952 /nfs/dbraw/zinc/27/39/52/665273952.db2.gz GLNZYPZDCCSFTE-VXGBXAGGSA-N 1 0 310.379 0.399 20 5 DCBDRO Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)co1 ZINC000997772509 665336123 /nfs/dbraw/zinc/33/61/23/665336123.db2.gz OBDHHYJRRXLIDI-ZIAGYGMSSA-N 1 0 322.365 0.976 20 5 DCBDRO Cc1nocc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001399710 666041934 /nfs/dbraw/zinc/04/19/34/666041934.db2.gz NDVCPNODKBGGTK-ZIAGYGMSSA-N 1 0 322.365 0.976 20 5 DCBDRO Cc1oncc1C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001001400638 666041964 /nfs/dbraw/zinc/04/19/64/666041964.db2.gz VLYIAEZCDAJIBD-ZIAGYGMSSA-N 1 0 322.365 0.976 20 5 DCBDRO Cc1ccc(C[NH2+]C[C@@]2(CO)COCCN2C)cc1[N+](=O)[O-] ZINC000922540281 666479501 /nfs/dbraw/zinc/47/95/01/666479501.db2.gz QOGCLNISOJEOOU-OAHLLOKOSA-N 1 0 309.366 0.686 20 5 DCBDRO Nc1ccc(NC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000861202666 666910628 /nfs/dbraw/zinc/91/06/28/666910628.db2.gz NKANXMOVVCJEME-JTQLQIEISA-N 1 0 309.326 0.365 20 5 DCBDRO O=C(N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034644896 667089438 /nfs/dbraw/zinc/08/94/38/667089438.db2.gz NFYYLOBKKFDXQT-AAVRWANBSA-N 1 0 321.381 0.565 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000923411731 667529402 /nfs/dbraw/zinc/52/94/02/667529402.db2.gz RFEHXXHCDICTED-MBNYWOFBSA-N 1 0 307.350 0.771 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2ccc(Cl)nc2)c1 ZINC000743261330 667805366 /nfs/dbraw/zinc/80/53/66/667805366.db2.gz DOKOEYMSDDAZGD-NSHDSACASA-N 1 0 311.729 0.990 20 5 DCBDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC000839612495 668124750 /nfs/dbraw/zinc/12/47/50/668124750.db2.gz ARXZXSRFYMZDNJ-BYNSBNAKSA-N 1 0 324.425 0.669 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1[N+](=O)[O-] ZINC000874846273 668226092 /nfs/dbraw/zinc/22/60/92/668226092.db2.gz XQYWVTIWQYWREM-QWRGUYRKSA-N 1 0 307.354 0.945 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924993735 668262016 /nfs/dbraw/zinc/26/20/16/668262016.db2.gz LVCSJZHRBQALJO-NEPJUHHUSA-N 1 0 322.365 0.456 20 5 DCBDRO Cc1cncc([N+](=O)[O-])c1NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000930874166 669098623 /nfs/dbraw/zinc/09/86/23/669098623.db2.gz FDYQAOSOKPPRMJ-JQWIXIFHSA-N 1 0 305.338 0.888 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCNC(=O)CC12CCC2 ZINC000880167503 669170392 /nfs/dbraw/zinc/17/03/92/669170392.db2.gz UFIRYRLZHXSEJN-UHFFFAOYSA-N 1 0 307.354 0.844 20 5 DCBDRO CC(=O)N1C[C@@H]2C[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C[C@@H]2C1 ZINC000880312255 669189845 /nfs/dbraw/zinc/18/98/45/669189845.db2.gz XAHLWBNKFADNAQ-BETUJISGSA-N 1 0 320.349 0.167 20 5 DCBDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000880433558 669210128 /nfs/dbraw/zinc/21/01/28/669210128.db2.gz OXSCHLPHMARBOS-QWHCGFSZSA-N 1 0 311.338 0.492 20 5 DCBDRO CN1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[N@H+](C)CC1 ZINC000933992876 669558979 /nfs/dbraw/zinc/55/89/79/669558979.db2.gz OUVWPKBVOZQJON-MRXNPFEDSA-N 1 0 322.409 0.807 20 5 DCBDRO CC[N@@H+]1CC[C@@H]1CNc1ncnc(N2CCOCC2)c1[N+](=O)[O-] ZINC000882959284 669631226 /nfs/dbraw/zinc/63/12/26/669631226.db2.gz AORCACVXLLVQAX-LLVKDONJSA-N 1 0 322.369 0.728 20 5 DCBDRO CON(C)C(=O)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000799108424 670040485 /nfs/dbraw/zinc/04/04/85/670040485.db2.gz WQWBNDLPHXEHMP-UHFFFAOYSA-N 1 0 323.353 0.522 20 5 DCBDRO C[C@@H]1COCCN1CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819018495 671085515 /nfs/dbraw/zinc/08/55/15/671085515.db2.gz UBSVBCWVMUUUGE-IUODEOHRSA-N 1 0 309.366 0.939 20 5 DCBDRO O=C1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CN1C1CC1 ZINC000819131867 671097357 /nfs/dbraw/zinc/09/73/57/671097357.db2.gz QLNJDGXZOBHOGS-SMDDNHRTSA-N 1 0 305.334 0.981 20 5 DCBDRO C[C@H](C(=O)Nc1ccc(N)c([N+](=O)[O-])c1)N1CCN(C)CC1 ZINC000819887835 671143436 /nfs/dbraw/zinc/14/34/36/671143436.db2.gz QHHLRHCLAOVJKT-SNVBAGLBSA-N 1 0 307.354 0.751 20 5 DCBDRO COc1ccc(Cc2nc(N3CC[NH2+]CC3)no2)cc1[N+](=O)[O-] ZINC000823315040 671385910 /nfs/dbraw/zinc/38/59/10/671385910.db2.gz JDJAIXJXNIDMIH-UHFFFAOYSA-N 1 0 319.321 0.987 20 5 DCBDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825411349 671460665 /nfs/dbraw/zinc/46/06/65/671460665.db2.gz PDQRBVDDKWXYHV-BXUZGUMPSA-N 1 0 305.334 0.981 20 5 DCBDRO CC(C)(CCC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[N+](=O)[O-] ZINC000833574465 671748674 /nfs/dbraw/zinc/74/86/74/671748674.db2.gz DSHOBBNJWHKXNF-GFCCVEGCSA-N 1 0 301.387 0.785 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000834563246 671771200 /nfs/dbraw/zinc/77/12/00/671771200.db2.gz BNYOFZIUDFXJJE-CQSZACIVSA-N 1 0 323.353 0.101 20 5 DCBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000834820776 671782746 /nfs/dbraw/zinc/78/27/46/671782746.db2.gz CPUWYGJIQNVXDA-GHMZBOCLSA-N 1 0 322.365 0.897 20 5 DCBDRO CC(C)[N@@H+]1CCC[C@H](COC(=O)Cn2cnc([N+](=O)[O-])n2)C1 ZINC000842832948 672041774 /nfs/dbraw/zinc/04/17/74/672041774.db2.gz IRLYBWQIAFVECS-NSHDSACASA-N 1 0 311.342 0.850 20 5 DCBDRO CCOC(=O)C[C@@H](CO)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000843078229 672059558 /nfs/dbraw/zinc/05/95/58/672059558.db2.gz YEDQGLOMCKQJKD-AAEUAGOBSA-N 1 0 312.322 0.532 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]CC[C@H](O)c2ccccc2)c1 ZINC000843087686 672060674 /nfs/dbraw/zinc/06/06/74/672060674.db2.gz KTYUPXJYABGCDA-GJZGRUSLSA-N 1 0 320.349 0.866 20 5 DCBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@H](N)CC[NH+](C)C)n2)n1C ZINC000844915012 672209522 /nfs/dbraw/zinc/20/95/22/672209522.db2.gz BCNIVCFPLITPHK-MRVPVSSYSA-N 1 0 309.330 0.638 20 5 DCBDRO Cc1ncc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cn1 ZINC001020139586 693710459 /nfs/dbraw/zinc/71/04/59/693710459.db2.gz GVMWEHZRGIIBSS-FDYHWXHSSA-N 1 0 305.338 0.187 20 5 DCBDRO Cn1cncc1C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1 ZINC001072721113 694656815 /nfs/dbraw/zinc/65/68/15/694656815.db2.gz DTISWIFPJKTQSG-CHWSQXEVSA-N 1 0 319.365 0.120 20 5 DCBDRO C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1[N+](=O)[O-] ZINC001576023571 1164215173 /nfs/dbraw/zinc/21/51/73/1164215173.db2.gz QGVRGNZWDLQLAC-VXGBXAGGSA-N 1 0 322.365 0.986 20 5 DCBDRO C[C@@H]([NH3+])C1(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCOCC1 ZINC001576102197 1164240069 /nfs/dbraw/zinc/24/00/69/1164240069.db2.gz CHJUDIXQGXIPRB-SNVBAGLBSA-N 1 0 311.342 0.052 20 5 DCBDRO C[C@@]1(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])C[NH2+]CCO1 ZINC001576510354 1164371951 /nfs/dbraw/zinc/37/19/51/1164371951.db2.gz VNFWSZXRUVDGIH-AWEZNQCLSA-N 1 0 311.313 0.771 20 5 DCBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001577096394 1164601399 /nfs/dbraw/zinc/60/13/99/1164601399.db2.gz MZSGUQPLMAKEHL-BNOWGMLFSA-N 1 0 307.350 0.612 20 5 DCBDRO CCc1ccc(C(=O)N2CCOC[C@@]2(C[NH3+])CO)cc1[N+](=O)[O-] ZINC001578252550 1164965329 /nfs/dbraw/zinc/96/53/29/1164965329.db2.gz FQLMCAXJPYADTJ-OAHLLOKOSA-N 1 0 323.349 0.319 20 5 DCBDRO C[N@@H+]1C[C@@H]2CCN(C(=O)[C@](C)(N)c3cccc([N+](=O)[O-])c3)[C@@H]2C1 ZINC001578523545 1165042731 /nfs/dbraw/zinc/04/27/31/1165042731.db2.gz MNAINYPOYLVXQC-SGIREYDYSA-N 1 0 318.377 0.931 20 5 DCBDRO C[NH2+]C[C@H](O)CN(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001578646691 1165077107 /nfs/dbraw/zinc/07/71/07/1165077107.db2.gz HJLUSTDESMIHLL-MNOVXSKESA-N 1 0 310.354 0.878 20 5 DCBDRO COC(=O)c1cc(C(=O)N2CC3(C[NH2+]C3)C2)cc([N+](=O)[O-])c1 ZINC001578850000 1165140222 /nfs/dbraw/zinc/14/02/22/1165140222.db2.gz CPBIVLQGKJALLS-UHFFFAOYSA-N 1 0 305.290 0.427 20 5 DCBDRO CO[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC001579122057 1165215434 /nfs/dbraw/zinc/21/54/34/1165215434.db2.gz NTRZWMICNILZNP-REWJHTLYSA-N 1 0 305.334 0.801 20 5 DCBDRO COc1cc(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)cc([N+](=O)[O-])c1C ZINC001579141500 1165222826 /nfs/dbraw/zinc/22/28/26/1165222826.db2.gz QWCLKGIUCYZRBY-LLVKDONJSA-N 1 0 321.333 0.773 20 5 DCBDRO C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC001579441562 1165309694 /nfs/dbraw/zinc/30/96/94/1165309694.db2.gz DAMRHMMWUQHVOZ-RKDXNWHRSA-N 1 0 317.342 0.949 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC001579877703 1165421445 /nfs/dbraw/zinc/42/14/45/1165421445.db2.gz ZKMMFCLKWAXEPJ-UHFFFAOYSA-N 1 0 317.349 0.917 20 5 DCBDRO [NH3+]CC1(O)CCN(C(=O)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001580247629 1165548038 /nfs/dbraw/zinc/54/80/38/1165548038.db2.gz XONPAQDPYOOUAM-UHFFFAOYSA-N 1 0 323.349 0.676 20 5 DCBDRO O=C(NC[C@@H]1CC[NH2+]1)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 ZINC001580660442 1165677877 /nfs/dbraw/zinc/67/78/77/1165677877.db2.gz AGYKQRKQBQVWSY-LBPRGKRZSA-N 1 0 316.321 0.326 20 5 DCBDRO O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CC[NH2+]C[C@@H]1CO ZINC001580810250 1165723709 /nfs/dbraw/zinc/72/37/09/1165723709.db2.gz OSVNBIGORCLHHV-SECBINFHSA-N 1 0 304.306 0.482 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC001585180527 1166408951 /nfs/dbraw/zinc/40/89/51/1166408951.db2.gz IYKKBRIFXUHWPD-GFCCVEGCSA-N 1 0 323.353 0.161 20 5 DCBDRO C[C@H]1CC[N@H+](Cc2c(-c3nn[nH]n3)cccc2[N+](=O)[O-])C[C@H]1O ZINC001590271589 1166831289 /nfs/dbraw/zinc/83/12/89/1166831289.db2.gz IQDRFHPVVCUACL-TVQRCGJNSA-N 1 0 318.337 0.978 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC001620524218 1171404309 /nfs/dbraw/zinc/40/43/09/1171404309.db2.gz OOSPKDDZVODKCH-TUVASFSCSA-N 1 0 324.381 0.778 20 5 DCBDRO C[NH+]1CCC(N(CCO)C(=O)c2cc([N+](=O)[O-])cnc2N)CC1 ZINC001627874211 1171514489 /nfs/dbraw/zinc/51/44/89/1171514489.db2.gz NTPVRORRRALOLO-UHFFFAOYSA-N 1 0 323.353 0.101 20 5 DCBDRO C[NH+]1CCC2(CCN2C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1 ZINC001637420409 1171766661 /nfs/dbraw/zinc/76/66/61/1171766661.db2.gz IONRNJDTSJWBEF-UHFFFAOYSA-N 1 0 305.338 0.882 20 5 DCBDRO CS(=O)(=O)c1ccc(-n2ccnc2CC[NH3+])c([N+](=O)[O-])c1 ZINC000052304473 1171776156 /nfs/dbraw/zinc/77/61/56/1171776156.db2.gz YWWQZWSEILZIKT-UHFFFAOYSA-N 1 0 310.335 0.685 20 5 DCBDRO C[N@@H+]1CC[C@H]2CN(c3nccc(C(N)=O)c3[N+](=O)[O-])CC[C@H]21 ZINC001640289204 1171875080 /nfs/dbraw/zinc/87/50/80/1171875080.db2.gz OXRWSJJYUGOUSA-GXSJLCMTSA-N 1 0 305.338 0.619 20 5 DCBDRO COC(=O)c1ccnc(NC[C@H]2CSCC[NH2+]2)c1[N+](=O)[O-] ZINC001640350576 1171878079 /nfs/dbraw/zinc/87/80/79/1171878079.db2.gz KDNPIMLBMOFRHL-QMMMGPOBSA-N 1 0 312.351 0.893 20 5 DCBDRO O=C(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)NCC[NH+]1CCCCC1 ZINC001640694682 1171890046 /nfs/dbraw/zinc/89/00/46/1171890046.db2.gz GTWRKJSRPJYXOR-UHFFFAOYSA-N 1 0 323.353 0.255 20 5 DCBDRO Nc1nccc(C(=O)N2CCC([NH+]3CCC3)CC2)c1[N+](=O)[O-] ZINC001641905421 1171931630 /nfs/dbraw/zinc/93/16/30/1171931630.db2.gz CIDNTJDQVNNSBH-UHFFFAOYSA-N 1 0 305.338 0.882 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001647773645 1173055298 /nfs/dbraw/zinc/05/52/98/1173055298.db2.gz ZGTIOFAVVYAEJQ-JTQLQIEISA-N 1 0 321.333 0.806 20 5 DCBDRO O=C(NCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CC1 ZINC001654347973 1173803080 /nfs/dbraw/zinc/80/30/80/1173803080.db2.gz OSZWJIGJISFPOX-UHFFFAOYSA-N 1 0 307.354 0.954 20 5 DCBDRO CC[C@H](C)[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001654461525 1173804615 /nfs/dbraw/zinc/80/46/15/1173804615.db2.gz NXTXVBWWVVGGBE-JSGCOSHPSA-N 1 0 311.386 0.568 20 5 DCBDRO O=C(CC[N@@H+]1CC[C@H](O)[C@H](CO)C1)Nc1ccccc1[N+](=O)[O-] ZINC001654751545 1173811155 /nfs/dbraw/zinc/81/11/55/1173811155.db2.gz GYTXXNIGLPBRCI-FZMZJTMJSA-N 1 0 323.349 0.599 20 5 DCBDRO COC[C@](C)(CO)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC001655309761 1173818052 /nfs/dbraw/zinc/81/80/52/1173818052.db2.gz SCLGZTJKWDBPDX-AWEZNQCLSA-N 1 0 311.338 0.910 20 5 DCBDRO CCc1nn(C)c(N2CC([NH2+]C3CCOCC3)C2)c1[N+](=O)[O-] ZINC001655847588 1173828830 /nfs/dbraw/zinc/82/88/30/1173828830.db2.gz GNKPZTCWLUNALS-UHFFFAOYSA-N 1 0 309.370 0.848 20 5 DCBDRO NC(=O)c1cn(CCCC[NH2+]Cc2cccc([N+](=O)[O-])c2)nn1 ZINC001656424444 1173861015 /nfs/dbraw/zinc/86/10/15/1173861015.db2.gz QRJKDQVLRPLTAV-UHFFFAOYSA-N 1 0 318.337 0.855 20 5 DCBDRO C[C@H](Cc1cccnc1)[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001660577750 1174014797 /nfs/dbraw/zinc/01/47/97/1174014797.db2.gz PMJRJMSCJJESTB-RISCZKNCSA-N 1 0 305.338 0.768 20 5 DCBDRO NC(=O)c1cc(NC(=O)NCC[NH+]2CC=CC2)ccc1[N+](=O)[O-] ZINC001680737618 1175846108 /nfs/dbraw/zinc/84/61/08/1175846108.db2.gz SSBXWXIHVMAPAQ-UHFFFAOYSA-N 1 0 319.321 0.687 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CC[NH2+]CCO)Cc1ccccc1 ZINC001699981523 1178403841 /nfs/dbraw/zinc/40/38/41/1178403841.db2.gz JTNWNMGURKMFFX-ZIAGYGMSSA-N 1 0 307.350 0.262 20 5 DCBDRO O=C(NC[C@H]1CC[C@H](C[NH2+]CCCO)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001733564186 1186333653 /nfs/dbraw/zinc/33/36/53/1186333653.db2.gz BZDPVBOTVPSCCP-AAVRWANBSA-N 1 0 313.398 0.546 20 5 DCBDRO COC(=O)NCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001124171721 751534721 /nfs/dbraw/zinc/53/47/21/751534721.db2.gz ABMCTCCDTSHFDK-UHFFFAOYSA-N 1 0 310.310 0.157 20 5 DCBDRO CCN(CCn1cccn1)c1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001167061224 746918851 /nfs/dbraw/zinc/91/88/51/746918851.db2.gz HTQBMYACJZQIOS-UHFFFAOYSA-N 1 0 317.353 0.795 20 5 DCBDRO O=C(CN1CCOCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001125902343 748018795 /nfs/dbraw/zinc/01/87/95/748018795.db2.gz KTRWLDGGQIWKIA-UHFFFAOYSA-N 1 0 322.365 0.133 20 5 DCBDRO CCNC(=O)CC(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126002124 748181905 /nfs/dbraw/zinc/18/19/05/748181905.db2.gz FNYJCMJYCHNSRB-UHFFFAOYSA-N 1 0 314.367 0.388 20 5 DCBDRO CO[C@@H]1COCC[C@H]1Nc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001168193323 749628894 /nfs/dbraw/zinc/62/88/94/749628894.db2.gz QBVLJGTVSZUNHV-NXEZZACHSA-N 1 0 309.326 0.287 20 5 DCBDRO CCn1nncc1C(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC001126726513 749673594 /nfs/dbraw/zinc/67/35/94/749673594.db2.gz CAFDPENEYIURDY-UHFFFAOYSA-N 1 0 324.366 0.787 20 5 DCBDRO CCCN(CCC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936214 750148600 /nfs/dbraw/zinc/14/86/00/750148600.db2.gz AYUVRMZLBKXSPR-VXGBXAGGSA-N 1 0 314.386 0.006 20 5 DCBDRO O=C(NCC[NH2+]Cc1cc(CO)ccc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001126936966 750149402 /nfs/dbraw/zinc/14/94/02/750149402.db2.gz ZBFIRPCDKZNPRR-DGCLKSJQSA-N 1 0 311.313 0.189 20 5 DCBDRO COCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C2 ZINC001048524894 754791321 /nfs/dbraw/zinc/79/13/21/754791321.db2.gz DUONJQRQBHKUKT-XVIXHAIJSA-N 1 0 311.382 0.657 20 5 DCBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC(=O)NC2=O)c([N+](=O)[O-])c1 ZINC001170307453 762613282 /nfs/dbraw/zinc/61/32/82/762613282.db2.gz GACHLEKMULHNER-SKDRFNHKSA-N 1 0 321.333 0.929 20 5 DCBDRO O=[N+]([O-])c1cc(F)cnc1NCc1nnc2n1CCC[NH2+]C2 ZINC001155424425 759838240 /nfs/dbraw/zinc/83/82/40/759838240.db2.gz AAFXEOORARXDHE-UHFFFAOYSA-N 1 0 307.289 0.826 20 5 DCBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCOCCOCCOCCO)C1 ZINC001168969879 760534642 /nfs/dbraw/zinc/53/46/42/760534642.db2.gz GEZKZKCPHFUTDY-KGLIPLIRSA-N 1 0 320.386 0.064 20 5 DCBDRO CCC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H](O)C(=O)NC1CC1 ZINC001168986728 760545365 /nfs/dbraw/zinc/54/53/65/760545365.db2.gz YUPDNMGXAMIOCZ-RUZUBIRVSA-N 1 0 313.398 0.830 20 5 DCBDRO O=C(CN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1)N1CCCC1 ZINC001169029661 760550463 /nfs/dbraw/zinc/55/04/63/760550463.db2.gz UYVVZXOABZZCGP-GJZGRUSLSA-N 1 0 324.425 0.672 20 5 DCBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCN1C(C)=O ZINC001169054887 760564347 /nfs/dbraw/zinc/56/43/47/760564347.db2.gz NZKHDKGUSSDEMH-XQQFMLRXSA-N 1 0 313.354 0.138 20 5 DCBDRO [NH3+][C@@H](CO)Cc1cncn1-c1ncc2cccc([N+](=O)[O-])c2n1 ZINC001169071401 760570820 /nfs/dbraw/zinc/57/08/20/760570820.db2.gz BZYPHLMWZXJDJU-SNVBAGLBSA-N 1 0 314.305 0.586 20 5 DCBDRO CCOC(=O)c1cnc(NC[C@@H]2COCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001170034737 761633200 /nfs/dbraw/zinc/63/32/00/761633200.db2.gz FMQQMEXGIBPQHW-SNVBAGLBSA-N 1 0 310.310 0.567 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccccc1[N+](=O)[O-])c1cnc[nH]c1=O ZINC001130079036 763117876 /nfs/dbraw/zinc/11/78/76/763117876.db2.gz LCIWMVUFSNLABE-UHFFFAOYSA-N 1 0 317.305 0.610 20 5 DCBDRO C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O ZINC000697578826 765482677 /nfs/dbraw/zinc/48/26/77/765482677.db2.gz BRRSWABEULECTA-BXKDBHETSA-N 1 0 302.352 0.651 20 5 DCBDRO CCOC(=O)c1cccc([N+](=O)[O-])c1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170776625 765708205 /nfs/dbraw/zinc/70/82/05/765708205.db2.gz BINIGCKFKDDENA-GXSJLCMTSA-N 1 0 309.322 0.764 20 5 DCBDRO COC(=O)c1ncc([N+](=O)[O-])c(C)c1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170778742 765728387 /nfs/dbraw/zinc/72/83/87/765728387.db2.gz NNVPMTLWGIAGCA-DTWKUNHWSA-N 1 0 310.310 0.077 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC001116342071 765862560 /nfs/dbraw/zinc/86/25/60/765862560.db2.gz MBCSFDJXTUNNLV-JTQLQIEISA-N 1 0 306.322 0.109 20 5 DCBDRO O=C(NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnn1 ZINC001135637341 766017810 /nfs/dbraw/zinc/01/78/10/766017810.db2.gz KUZKHBPJKLHWNM-UHFFFAOYSA-N 1 0 301.306 0.904 20 5 DCBDRO CC[C@]([NH3+])(CO)Nc1cc2c(c([N+](=O)[O-])c1)N(C(C)=O)CC2 ZINC001170865626 766168473 /nfs/dbraw/zinc/16/84/73/766168473.db2.gz GIEOQRUMCNOKTM-CQSZACIVSA-N 1 0 308.338 0.973 20 5 DCBDRO Cn1cc([C@@H]2CN(C(=O)c3cc([N+](=O)[O-])cn3C)C[C@H]2[NH3+])cn1 ZINC001118061277 766213438 /nfs/dbraw/zinc/21/34/38/766213438.db2.gz RUSOLUJQJCLGLU-NWDGAFQWSA-N 1 0 318.337 0.234 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCOc1ccc([N+](=O)[O-])cc1 ZINC001136668796 766420358 /nfs/dbraw/zinc/42/03/58/766420358.db2.gz CAJYIVKOQXGBAD-IUODEOHRSA-N 1 0 323.349 0.545 20 5 DCBDRO Cc1n[nH]c(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1[N+](=O)[O-] ZINC001118794071 766435822 /nfs/dbraw/zinc/43/58/22/766435822.db2.gz KNSLATCJAZDARA-NSHDSACASA-N 1 0 323.353 0.298 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119382651 766656580 /nfs/dbraw/zinc/65/65/80/766656580.db2.gz NTBHWWWNKDZSMH-AWEZNQCLSA-N 1 0 307.354 0.934 20 5 DCBDRO CC(C)(C)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC001120596725 767089025 /nfs/dbraw/zinc/08/90/25/767089025.db2.gz JJFXXDYYSCDDRT-YPMHNXCESA-N 1 0 311.386 0.615 20 5 DCBDRO NC(=O)CCCCC(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001147119299 767646695 /nfs/dbraw/zinc/64/66/95/767646695.db2.gz QOQQVRGQPKXBDL-UHFFFAOYSA-N 1 0 322.365 0.846 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC001122417813 767798805 /nfs/dbraw/zinc/79/88/05/767798805.db2.gz JMVFSOOTACTDGA-LBPRGKRZSA-N 1 0 322.365 0.844 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)c1ccco1 ZINC001154211238 770111809 /nfs/dbraw/zinc/11/18/09/770111809.db2.gz FBDURNLKKGFMJE-UHFFFAOYSA-N 1 0 307.310 0.831 20 5 DCBDRO COc1ncnc(N2CCC[C@H](N3CC(C[NH3+])C3)C2)c1[N+](=O)[O-] ZINC001155377931 770483435 /nfs/dbraw/zinc/48/34/35/770483435.db2.gz WTZPWKYVMFGGJI-NSHDSACASA-N 1 0 322.369 0.253 20 5 DCBDRO Cc1cc([N+](=O)[O-])cnc1NCc1nnn2c1C[NH2+]CCC2 ZINC001155391328 770489009 /nfs/dbraw/zinc/48/90/09/770489009.db2.gz YOOMSTIBQNCXFP-UHFFFAOYSA-N 1 0 303.326 0.995 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2COCCC23C[NH2+]C3)n1 ZINC001155468238 770513096 /nfs/dbraw/zinc/51/30/96/770513096.db2.gz CSQKMWHYEAYNCQ-LLVKDONJSA-N 1 0 322.321 0.567 20 5 DCBDRO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(NC[C@@]23C[NH2+][C@@H](CO2)C3)c1 ZINC001155544018 770540331 /nfs/dbraw/zinc/54/03/31/770540331.db2.gz YUWRXJWXDDHWFJ-RDDDGLTNSA-N 1 0 300.702 0.424 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]CCCNC(=O)/C=C\C1CC1 ZINC001156166009 770737205 /nfs/dbraw/zinc/73/72/05/770737205.db2.gz RGFCZNSOOHKLRM-WAYWQWQTSA-N 1 0 307.354 0.890 20 5 DCBDRO [NH3+]CCc1nnn(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1 ZINC001156986452 770991418 /nfs/dbraw/zinc/99/14/18/770991418.db2.gz XACKWDSTLJKFQL-UHFFFAOYSA-N 1 0 319.659 0.729 20 5 DCBDRO [NH3+]CCc1nnn(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1 ZINC001156986517 770991423 /nfs/dbraw/zinc/99/14/23/770991423.db2.gz YPANJKWBWQLBJG-UHFFFAOYSA-N 1 0 319.659 0.729 20 5 DCBDRO COc1c(O)ccc(C[NH2+]CC2(O)CCOCC2)c1[N+](=O)[O-] ZINC001180995841 771213445 /nfs/dbraw/zinc/21/34/45/771213445.db2.gz NEYJZHCPIKHTLN-UHFFFAOYSA-N 1 0 312.322 0.940 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC001181441983 771292137 /nfs/dbraw/zinc/29/21/37/771292137.db2.gz JFIAISCYVYOJRX-LSJOCFKGSA-N 1 0 306.322 0.765 20 5 DCBDRO CCn1cc(CC[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001157766984 771666065 /nfs/dbraw/zinc/66/60/65/771666065.db2.gz CUYPLWIULAMGIQ-CHWSQXEVSA-N 1 0 309.370 0.207 20 5 DCBDRO COc1ncnc(N2CCC(N3CC[C@H]([NH3+])C3)CC2)c1[N+](=O)[O-] ZINC001158262911 771750098 /nfs/dbraw/zinc/75/00/98/771750098.db2.gz XEKBQKNZWTZIHO-JTQLQIEISA-N 1 0 322.369 0.395 20 5 DCBDRO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001158634271 771796990 /nfs/dbraw/zinc/79/69/90/771796990.db2.gz AWCVFQCSBWVVQH-HZMBPMFUSA-N 1 0 306.322 0.721 20 5 DCBDRO [NH3+]CCOCCOCCNc1ncnc2cccc([N+](=O)[O-])c21 ZINC001159447325 771912001 /nfs/dbraw/zinc/91/20/01/771912001.db2.gz MYBKUDRLWDDKIV-UHFFFAOYSA-N 1 0 321.337 0.942 20 5 DCBDRO COc1nc(N[C@]2(C[NH3+])CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001160510040 772052706 /nfs/dbraw/zinc/05/27/06/772052706.db2.gz DXYBNNASIDJXFK-CQSZACIVSA-N 1 0 307.354 0.833 20 5 DCBDRO COc1ncnc(NC2CCN([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001161465004 772228056 /nfs/dbraw/zinc/22/80/56/772228056.db2.gz WGYLLCSHFRJEAI-LLVKDONJSA-N 1 0 322.369 0.632 20 5 DCBDRO Cc1nc(NC2CCN([C@H]3CC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC001161473505 772229483 /nfs/dbraw/zinc/22/94/83/772229483.db2.gz YNTANSMITSMJES-LBPRGKRZSA-N 1 0 306.370 0.931 20 5 DCBDRO Cn1cc(NCCC[NH+]2CCN(C)CC2)cc([N+](=O)[O-])c1=O ZINC001161705098 772268742 /nfs/dbraw/zinc/26/87/42/772268742.db2.gz CLOBFDBHAXSBQI-UHFFFAOYSA-N 1 0 309.370 0.343 20 5 DCBDRO COC(=O)c1cnc(N[C@@H]2C=C[C@@H]3C[NH2+]C[C@@H]23)c([N+](=O)[O-])c1 ZINC001162795483 772419488 /nfs/dbraw/zinc/41/94/88/772419488.db2.gz WOTCYIVCSDXUGF-FBIMIBRVSA-N 1 0 304.306 0.962 20 5 DCBDRO COc1ncc([N+](=O)[O-])c(NCc2noc3c2C[NH2+]CC3)n1 ZINC001163125590 772468183 /nfs/dbraw/zinc/46/81/83/772468183.db2.gz AKTMGFABNCQUND-UHFFFAOYSA-N 1 0 306.282 0.639 20 5 DCBDRO CC[NH+](CC)CCNC(=N)Nc1ncnc(OC)c1[N+](=O)[O-] ZINC001163126915 772468750 /nfs/dbraw/zinc/46/87/50/772468750.db2.gz VPAHIJPAUFKYRN-UHFFFAOYSA-N 1 0 311.346 0.671 20 5 DCBDRO NC(=O)c1nc(NC[C@H]2OC[C@H]3C[NH2+]CC[C@H]32)ccc1[N+](=O)[O-] ZINC001163158805 772474089 /nfs/dbraw/zinc/47/40/89/772474089.db2.gz BOJYHZVNILVXCY-FXPVBKGRSA-N 1 0 321.337 0.125 20 5 DCBDRO COC(=O)c1ccc([N+](=O)[O-])cc1N[C@]12CC[NH2+][C@@H]1CC(=O)N2 ZINC001163252762 772492363 /nfs/dbraw/zinc/49/23/63/772492363.db2.gz WWIFPXQFTVCEHU-RISCZKNCSA-N 1 0 320.305 0.371 20 5 DCBDRO CC(=O)Nc1ccc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc1[N+](=O)[O-] ZINC001163255363 772494935 /nfs/dbraw/zinc/49/49/35/772494935.db2.gz YQXLJVMQEFCHDD-GXTWGEPZSA-N 1 0 319.321 0.543 20 5 DCBDRO COC(=O)c1cc([N+](=O)[O-])ncc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163347537 772510608 /nfs/dbraw/zinc/51/06/08/772510608.db2.gz DCPWYKRIUXBREE-QRTLGDNMSA-N 1 0 308.294 0.318 20 5 DCBDRO CCOC(=O)CC1([NH3+])CCN(c2nc(C)ncc2[N+](=O)[O-])CC1 ZINC001163528555 772535992 /nfs/dbraw/zinc/53/59/92/772535992.db2.gz WISFIKVAWBYCFS-UHFFFAOYSA-N 1 0 323.353 0.944 20 5 DCBDRO CCOC(=O)c1cc([N+](=O)[O-])cnc1-n1cnc2c1C[NH2+]CC2 ZINC001164316338 772645428 /nfs/dbraw/zinc/64/54/28/772645428.db2.gz JQASIVWYYSCHEQ-UHFFFAOYSA-N 1 0 317.305 0.998 20 5 DCBDRO O=C(CNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-])N1CCCC1 ZINC001164576934 772683384 /nfs/dbraw/zinc/68/33/84/772683384.db2.gz NIYDCPBCPNCWSS-UHFFFAOYSA-N 1 0 306.326 0.106 20 5 DCBDRO Cc1nc(CCN(C)c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)no1 ZINC001165217973 772706570 /nfs/dbraw/zinc/70/65/70/772706570.db2.gz CZUIZPDTXXVJIX-UHFFFAOYSA-N 1 0 319.325 0.442 20 5 DCBDRO CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[C@@]3([NH3+])C2)n1 ZINC001165329087 772723629 /nfs/dbraw/zinc/72/36/29/772723629.db2.gz DSVOTJSARHBBHN-TVQRCGJNSA-N 1 0 306.326 0.579 20 5 DCBDRO Cc1nc2c(n1-c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC[NH2+]CC2 ZINC001165354470 772727731 /nfs/dbraw/zinc/72/77/31/772727731.db2.gz AGRNYDWKSNMXHP-UHFFFAOYSA-N 1 0 303.322 0.719 20 5 DCBDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1nc(C)ncc1[N+](=O)[O-] ZINC001165405480 772733472 /nfs/dbraw/zinc/73/34/72/772733472.db2.gz POPFGRNKQWXRAF-GARJFASQSA-N 1 0 321.337 0.423 20 5 DCBDRO CC(C)(O)C[C@H](O)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001191763501 772815249 /nfs/dbraw/zinc/81/52/49/772815249.db2.gz JZIAVZHXWMMJDJ-YPMHNXCESA-N 1 0 324.381 0.998 20 5 DCBDRO O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(C[NH2+]CCn2cccn2)CC1 ZINC001205229483 772984275 /nfs/dbraw/zinc/98/42/75/772984275.db2.gz DKKODIHJAFQCHR-ZIAGYGMSSA-N 1 0 321.381 0.377 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCCOC(=O)c1ccccc1 ZINC001206519912 773084285 /nfs/dbraw/zinc/08/42/85/773084285.db2.gz OHVILKPSKSBSSQ-CQSZACIVSA-N 1 0 310.370 0.844 20 5 DCBDRO C[N+](C)(C)C[C@H](O)CC(=O)OCc1nc(-c2cnccn2)no1 ZINC001224255094 775549323 /nfs/dbraw/zinc/54/93/23/775549323.db2.gz WROZOQKHOFUDQS-SNVBAGLBSA-N 1 0 322.345 0.027 20 5 DCBDRO Cn1nc(C(F)(F)F)cc1OC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001226224080 775785062 /nfs/dbraw/zinc/78/50/62/775785062.db2.gz QJENBLUSYGUNJK-MRVPVSSYSA-N 1 0 310.296 0.802 20 5 DCBDRO CN(CC[NH2+]Cc1c([N+](=O)[O-])ncn1C)C(=O)C(C)(F)F ZINC001481200864 939610651 /nfs/dbraw/zinc/61/06/51/939610651.db2.gz CJXLWRGVQPGIFI-UHFFFAOYSA-N 1 0 305.285 0.532 20 5 DCBDRO Cc1ncc(C[NH2+]CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001268792368 940361409 /nfs/dbraw/zinc/36/14/09/940361409.db2.gz ZEEPRUDWTKVRDS-CHWSQXEVSA-N 1 0 307.354 0.388 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(COC(=O)N2)CC1 ZINC001168383397 942507853 /nfs/dbraw/zinc/50/78/53/942507853.db2.gz TUOBHUBTNIKUMV-UHFFFAOYSA-N 1 0 309.326 0.674 20 5 DCBDRO COC(=O)[C@@H]1C[NH2+]CCN1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001246862902 945508389 /nfs/dbraw/zinc/50/83/89/945508389.db2.gz FDYQWFCELGUZKS-RISCZKNCSA-N 1 0 307.350 0.973 20 5 DCBDRO CC(C)(C)[NH+]1CCN(C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC001319180873 945514063 /nfs/dbraw/zinc/51/40/63/945514063.db2.gz CKJQSGNXDADOMT-ZDUSSCGKSA-N 1 0 311.386 0.568 20 5 DCBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)C1 ZINC001319369692 945571937 /nfs/dbraw/zinc/57/19/37/945571937.db2.gz MIQOYCPEYHTDJI-GFCCVEGCSA-N 1 0 322.365 0.557 20 5 DCBDRO CN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H]1C[NH+]2CCC1CC2 ZINC001320010166 945717601 /nfs/dbraw/zinc/71/76/01/945717601.db2.gz MYFSZNVMJQEEIK-GFCCVEGCSA-N 1 0 320.349 0.309 20 5 DCBDRO O=[N+]([O-])c1ncn(Cc2nc([C@H]3C[NH+]4CCC3CC4)no2)n1 ZINC001320325809 945824794 /nfs/dbraw/zinc/82/47/94/945824794.db2.gz BGWVSGPOYIPBRL-VIFPVBQESA-N 1 0 305.298 0.427 20 5 DCBDRO [NH3+]Cc1nnnn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469193 946398347 /nfs/dbraw/zinc/39/83/47/946398347.db2.gz YCUHANKTQMRQFZ-UHFFFAOYSA-N 1 0 303.326 0.882 20 5 DCBDRO CCOC(=O)CNC(=O)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254537772 946407754 /nfs/dbraw/zinc/40/77/54/946407754.db2.gz HMQIDCAILAOTLZ-NSHDSACASA-N 1 0 323.349 0.795 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC001261495259 947320645 /nfs/dbraw/zinc/32/06/45/947320645.db2.gz XVZAQRFNTGIDAI-OAHLLOKOSA-N 1 0 320.349 0.359 20 5 DCBDRO Cc1nn(C)c(C(=O)NCCCN2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001324254394 947366966 /nfs/dbraw/zinc/36/69/66/947366966.db2.gz BJYCEDWWROCEIF-UHFFFAOYSA-N 1 0 324.385 0.004 20 5 DCBDRO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001261643189 947382032 /nfs/dbraw/zinc/38/20/32/947382032.db2.gz JVTAZAQPEMUKFL-KGLIPLIRSA-N 1 0 305.334 0.843 20 5 DCBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN(C)CCS(N)(=O)=O ZINC001462556207 1013074589 /nfs/dbraw/zinc/07/45/89/1013074589.db2.gz DXFQIEUWLNLDQO-UHFFFAOYSA-N 1 0 301.368 0.932 20 5 DCBDRO COC[C@@H]1C[NH2+]CCN1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC001262567182 947728057 /nfs/dbraw/zinc/72/80/57/947728057.db2.gz KWGJBZHXAFLIFS-ZDUSSCGKSA-N 1 0 308.338 0.725 20 5 DCBDRO C[C@H]([NH3+])CNC(=O)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC001325711354 947890534 /nfs/dbraw/zinc/89/05/34/947890534.db2.gz AJUOXRRGWBBKRS-ZETCQYMHSA-N 1 0 314.729 0.328 20 5 DCBDRO Cc1cnc(C[N@@H+](C)CCCN(C)C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cn1 ZINC001273507609 947932772 /nfs/dbraw/zinc/93/27/72/947932772.db2.gz GZBBSRGLMSOUBG-ZIAGYGMSSA-N 1 0 321.381 0.731 20 5 DCBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCC2CS(=O)(=O)C2)cc1 ZINC001325843572 947946820 /nfs/dbraw/zinc/94/68/20/947946820.db2.gz DQQSKNWVNAMXDX-CYBMUJFWSA-N 1 0 314.363 0.653 20 5 DCBDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC001326155619 948076457 /nfs/dbraw/zinc/07/64/57/948076457.db2.gz FKUUMUHWXGTKEK-HZSPNIEDSA-N 1 0 311.386 0.615 20 5 DCBDRO O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)NCCC[C@@H]1CCC[NH2+]1 ZINC001327120954 948402389 /nfs/dbraw/zinc/40/23/89/948402389.db2.gz JZZBTVTYVDWDAW-NSHDSACASA-N 1 0 308.338 0.405 20 5 DCBDRO O=C(NCC1C[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC001327961453 948675523 /nfs/dbraw/zinc/67/55/23/948675523.db2.gz MUECHUNAZQKWOY-JTQLQIEISA-N 1 0 322.321 0.128 20 5 DCBDRO Cc1nc(C)c(C[N@H+](C)CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])o1 ZINC001264984855 949141254 /nfs/dbraw/zinc/14/12/54/949141254.db2.gz CLXOCIUSKKHCSH-VXGBXAGGSA-N 1 0 310.354 0.895 20 5 DCBDRO Nc1nccc(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC001329041090 949309337 /nfs/dbraw/zinc/30/93/37/949309337.db2.gz XKJJEKODOZQEBV-SNVBAGLBSA-N 1 0 305.338 0.882 20 5 DCBDRO COC[C@@]1(C(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)C[NH2+]CCO1 ZINC001330592840 950532054 /nfs/dbraw/zinc/53/20/54/950532054.db2.gz HRUFHKHMHYYBNK-OAHLLOKOSA-N 1 0 321.333 0.442 20 5 DCBDRO C[C@@H]1CN(c2ccc(S(N)(=O)=O)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC001331315710 951072213 /nfs/dbraw/zinc/07/22/13/951072213.db2.gz REUNOYPNPRREMI-DTORHVGOSA-N 1 0 314.367 0.429 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NCC[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC001331320012 951074553 /nfs/dbraw/zinc/07/45/53/951074553.db2.gz ROBPHBLFIYQISO-VIFPVBQESA-N 1 0 308.338 0.373 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])cn1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001333770323 952150367 /nfs/dbraw/zinc/15/03/67/952150367.db2.gz FMTVAPBLURHUOE-CQSZACIVSA-N 1 0 307.354 0.784 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001341044694 953208365 /nfs/dbraw/zinc/20/83/65/953208365.db2.gz MCINBSSURPASAG-RYUDHWBXSA-N 1 0 307.354 0.843 20 5 DCBDRO O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC001341098892 953210641 /nfs/dbraw/zinc/21/06/41/953210641.db2.gz WNNQVQXKOHRWAI-IHRRRGAJSA-N 1 0 305.334 0.803 20 5 DCBDRO C[NH2+]C[C@@H](O)CN(C)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC001341492055 953233821 /nfs/dbraw/zinc/23/38/21/953233821.db2.gz GGEIHJSSWARZEX-SNVBAGLBSA-N 1 0 313.379 0.969 20 5 DCBDRO CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[NH2+]C1 ZINC001342280223 953281087 /nfs/dbraw/zinc/28/10/87/953281087.db2.gz XIFAOSMCKQAEJO-NSHDSACASA-N 1 0 308.338 0.357 20 5 DCBDRO COCCn1c(C[N+](=O)[O-])nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC001343047675 953319165 /nfs/dbraw/zinc/31/91/65/953319165.db2.gz PNWVWFDSYOLNNM-SMDDNHRTSA-N 1 0 324.385 0.089 20 5 DCBDRO CCOC(=O)[C@@H]1C[NH2+]CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC001346016779 953786283 /nfs/dbraw/zinc/78/62/83/953786283.db2.gz FWZSRVFOGLFMDO-AWEZNQCLSA-N 1 0 323.349 0.811 20 5 DCBDRO C[C@@H](NC[C@H](O)COc1ccccc1[N+](=O)[O-])c1nnnn1C ZINC001353230579 955985285 /nfs/dbraw/zinc/98/52/85/955985285.db2.gz DAMHNZYXSDIIFY-ZJUUUORDSA-N 1 0 322.325 0.209 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC001353632818 956128526 /nfs/dbraw/zinc/12/85/26/956128526.db2.gz GCYDDGAXPQXFCK-CQSZACIVSA-N 1 0 307.354 0.702 20 5 DCBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)C1(O)CCOCC1)CC2 ZINC001354437804 956391186 /nfs/dbraw/zinc/39/11/86/956391186.db2.gz KWRWDHOVPKYJGA-HNNXBMFYSA-N 1 0 322.361 0.855 20 5 DCBDRO CC[NH+]1CCN(CCNC(=O)c2ccc([N+](=O)[O-])cc2N)CC1 ZINC001292993540 957226092 /nfs/dbraw/zinc/22/60/92/957226092.db2.gz QMJYEPXYOMTDLW-UHFFFAOYSA-N 1 0 321.381 0.544 20 5 DCBDRO O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC001357939228 957404502 /nfs/dbraw/zinc/40/45/02/957404502.db2.gz SRGBCCLTHURNIF-MRVWCRGKSA-N 1 0 305.334 0.803 20 5 DCBDRO C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001293743923 957422831 /nfs/dbraw/zinc/42/28/31/957422831.db2.gz FPFKVPCNAPNOHO-IINYFYTJSA-N 1 0 321.381 0.541 20 5 DCBDRO C[NH+](C)C[C@]1(O)CCN(C(=O)c2[nH]nc([N+](=O)[O-])c2Cl)C1 ZINC001302816175 960032717 /nfs/dbraw/zinc/03/27/17/960032717.db2.gz GHHWMUNCMIOBPJ-LLVKDONJSA-N 1 0 317.733 0.110 20 5 DCBDRO O=C(COc1ccccc1[N+](=O)[O-])N1CC([NH2+][C@H]2CCOC2)C1 ZINC001304085247 960076537 /nfs/dbraw/zinc/07/65/37/960076537.db2.gz SPIJYAYQRGKNSE-NSHDSACASA-N 1 0 321.333 0.563 20 5 DCBDRO CCc1n[nH]c(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1[N+](=O)[O-] ZINC001305874081 960113316 /nfs/dbraw/zinc/11/33/16/960113316.db2.gz MPNMVGPPQKZSRN-FXPVBKGRSA-N 1 0 307.354 0.950 20 5 DCBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](c3nn[nH]n3)C2)c1 ZINC001308035979 960165201 /nfs/dbraw/zinc/16/52/01/960165201.db2.gz TVRILTQQGJROAD-JTQLQIEISA-N 1 0 304.310 0.976 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]1CO ZINC001308103205 960167765 /nfs/dbraw/zinc/16/77/65/960167765.db2.gz DSZBTYJFOUZKND-NSHDSACASA-N 1 0 309.322 0.999 20 5 DCBDRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C(N)=O)c2)C1 ZINC001311240602 960247751 /nfs/dbraw/zinc/24/77/51/960247751.db2.gz FYHMJKHJJFZKAN-JTQLQIEISA-N 1 0 321.337 0.909 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC001468316454 1016243394 /nfs/dbraw/zinc/24/33/94/1016243394.db2.gz LWMAHNMCELSSMQ-GFCCVEGCSA-N 1 0 322.365 0.754 20 5 DCBDRO Cc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC001469814292 1016365938 /nfs/dbraw/zinc/36/59/38/1016365938.db2.gz GMTZBGFSFHENAN-LLVKDONJSA-N 1 0 323.324 0.933 20 5 DCBDRO Nc1c(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)cccc1[N+](=O)[O-] ZINC001472080640 1016719675 /nfs/dbraw/zinc/71/96/75/1016719675.db2.gz VAIFOXBDMDJUKL-VIFPVBQESA-N 1 0 306.322 0.380 20 5 DCBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CCn1nc(C)cc1C ZINC001492950215 1003573702 /nfs/dbraw/zinc/57/37/02/1003573702.db2.gz KUUKMGQKMKTIDM-ZIAGYGMSSA-N 1 0 323.397 0.603 20 5 DCBDRO COC1(OC)CC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C[C@H]1O ZINC001560103409 1012441188 /nfs/dbraw/zinc/44/11/88/1012441188.db2.gz OOJFYRCDOLBRGR-LLVKDONJSA-N 1 0 314.342 0.155 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC001522357781 1017485075 /nfs/dbraw/zinc/48/50/75/1017485075.db2.gz HUHPEFQCJRZYOB-VXGBXAGGSA-N 1 0 307.354 0.700 20 5 DCBDRO CN(CC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000153488660 282142085 /nfs/dbraw/zinc/14/20/85/282142085.db2.gz AANUBZVGOXKRMT-OAHLLOKOSA-N 1 0 324.381 0.460 20 5 DCBDRO CC[NH+](CC)CCNc1cc([N+](=O)[O-])ccc1S(N)(=O)=O ZINC000181296962 199277594 /nfs/dbraw/zinc/27/75/94/199277594.db2.gz WIPURCLXQODGKW-UHFFFAOYSA-N 1 0 316.383 0.996 20 5 DCBDRO O=[N+]([O-])c1ccccc1S(=O)(=O)NCC[NH2+][C@H]1CCOC1 ZINC000088726322 185263773 /nfs/dbraw/zinc/26/37/73/185263773.db2.gz NZOQCLXEKQELND-JTQLQIEISA-N 1 0 315.351 0.252 20 5 DCBDRO Cc1nn(C)c(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1[N+](=O)[O-] ZINC000272621570 282255136 /nfs/dbraw/zinc/25/51/36/282255136.db2.gz LVYHSWNJCWETHO-QWRGUYRKSA-N 1 0 307.354 0.803 20 5 DCBDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000287192512 219370626 /nfs/dbraw/zinc/37/06/26/219370626.db2.gz UCPQSYJUZZFSOW-JTQLQIEISA-N 1 0 323.353 0.643 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339760777 282773354 /nfs/dbraw/zinc/77/33/54/282773354.db2.gz YGAVGRSCHHEJCR-GXTWGEPZSA-N 1 0 310.354 0.738 20 5 DCBDRO C[NH+](C)C[C@](C)(O)CNC(=O)COc1cccc([N+](=O)[O-])c1 ZINC000153012229 237012822 /nfs/dbraw/zinc/01/28/22/237012822.db2.gz UOWLFHNQLVDLNO-CQSZACIVSA-N 1 0 311.338 0.402 20 5 DCBDRO O=C(NCc1ccccc1[N+](=O)[O-])c1[nH]nc2c1C[NH2+]CC2 ZINC000188318340 200226432 /nfs/dbraw/zinc/22/64/32/200226432.db2.gz JNGROQCIDNAXFF-UHFFFAOYSA-N 1 0 301.306 0.894 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](CO)CC(F)F)c1 ZINC000566231139 291284833 /nfs/dbraw/zinc/28/48/33/291284833.db2.gz LFSFWYINTXXYHB-GXSJLCMTSA-N 1 0 320.292 0.940 20 5 DCBDRO [NH3+][C@@H]1C[C@@H]2CN(CCOc3ccccc3[N+](=O)[O-])CCN2C1=O ZINC000566496171 291308690 /nfs/dbraw/zinc/30/86/90/291308690.db2.gz PFBAHRYNBOLLFD-VXGBXAGGSA-N 1 0 320.349 0.217 20 5 DCBDRO CC[NH2+]CCCNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000567586715 291362926 /nfs/dbraw/zinc/36/29/26/291362926.db2.gz AYFCUVHETFYUCD-UHFFFAOYSA-N 1 0 318.337 0.905 20 5 DCBDRO CC1(C)[C@H]([NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]2CCO[C@H]21 ZINC000567689086 291369954 /nfs/dbraw/zinc/36/99/54/291369954.db2.gz CASQNSCCNBKXNX-UMSGYPCISA-N 1 0 310.354 0.555 20 5 DCBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000275935888 284027927 /nfs/dbraw/zinc/02/79/27/284027927.db2.gz IOTUYZPCQXKUAX-SECBINFHSA-N 1 0 307.306 0.848 20 5 DCBDRO Cc1c(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cccc1[N+](=O)[O-] ZINC000264762340 204138115 /nfs/dbraw/zinc/13/81/15/204138115.db2.gz UKLRENOWKDNYAQ-GFCCVEGCSA-N 1 0 306.366 0.879 20 5 DCBDRO CCN(C)C(=O)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000571672479 291527035 /nfs/dbraw/zinc/52/70/35/291527035.db2.gz SSZNGZNGWFIWFT-LBPRGKRZSA-N 1 0 311.338 0.402 20 5 DCBDRO COC(=O)CNC(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282530008 217065531 /nfs/dbraw/zinc/06/55/31/217065531.db2.gz UZAUTGGQDJHFHU-UHFFFAOYSA-N 1 0 323.349 0.748 20 5 DCBDRO CCn1cc(S(=O)(=O)NCC[N@H+](C)C2CC2)c([N+](=O)[O-])n1 ZINC000339049904 253026666 /nfs/dbraw/zinc/02/66/66/253026666.db2.gz ZTIGGROMJQOHOZ-UHFFFAOYSA-N 1 0 317.371 0.184 20 5 DCBDRO Cn1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1[N+](=O)[O-] ZINC000340996855 253332760 /nfs/dbraw/zinc/33/27/60/253332760.db2.gz QCTCJRKYWZDQOM-JTQLQIEISA-N 1 0 323.353 0.003 20 5 DCBDRO COC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000272895886 210286189 /nfs/dbraw/zinc/28/61/89/210286189.db2.gz BVVJBUIKOPJBDJ-SNVBAGLBSA-N 1 0 302.352 0.993 20 5 DCBDRO C[NH+]1CCC(CCO)(NC(=O)c2cccc([N+](=O)[O-])c2N)CC1 ZINC000346471855 254055660 /nfs/dbraw/zinc/05/56/60/254055660.db2.gz DFOXHVBTPNGSLL-UHFFFAOYSA-N 1 0 322.365 0.754 20 5 DCBDRO COC(=O)[C@@H]1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@H]1C ZINC000346695070 254083849 /nfs/dbraw/zinc/08/38/49/254083849.db2.gz YCVXWFFGKMNFEE-MVWJERBFSA-N 1 0 312.326 0.036 20 5 DCBDRO COc1ccc([N+](=O)[O-])c(C(=O)NCCOCC[NH+](C)C)c1 ZINC000349726633 254294797 /nfs/dbraw/zinc/29/47/97/254294797.db2.gz CUDQYKKSKOOURZ-UHFFFAOYSA-N 1 0 311.338 0.911 20 5 DCBDRO COCC[N@@H+]1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])cnc2N)C1 ZINC000351252432 254334975 /nfs/dbraw/zinc/33/49/75/254334975.db2.gz KDYDJUPJPSATJT-SECBINFHSA-N 1 0 309.326 0.023 20 5 DCBDRO CCN(CCC[NH+]1CCCC1)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000351766210 254366104 /nfs/dbraw/zinc/36/61/04/254366104.db2.gz QRVUQZFEPFCRNQ-UHFFFAOYSA-N 1 0 310.358 0.521 20 5 DCBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000330732448 533389855 /nfs/dbraw/zinc/38/98/55/533389855.db2.gz JNHOCNUKKIPSAT-JTQLQIEISA-N 1 0 310.358 0.375 20 5 DCBDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000275469622 130324155 /nfs/dbraw/zinc/32/41/55/130324155.db2.gz RGKUYJZPNGIUGF-JTQLQIEISA-N 1 0 310.354 0.840 20 5 DCBDRO CC(C)[N@H+](CCOCCO)CCn1cc([N+](=O)[O-])ccc1=O ZINC000283655941 131010927 /nfs/dbraw/zinc/01/09/27/131010927.db2.gz DPACSFJNPXTKHL-UHFFFAOYSA-N 1 0 313.354 0.476 20 5 DCBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCNC1=O ZINC000340225131 131229701 /nfs/dbraw/zinc/22/97/01/131229701.db2.gz GIAMNSSONZLJLM-WCQYABFASA-N 1 0 309.322 0.155 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000037465216 395727635 /nfs/dbraw/zinc/72/76/35/395727635.db2.gz XVPLNEJVQFOTMF-UHFFFAOYSA-N 1 0 315.351 0.587 20 5 DCBDRO C[NH+](C)[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccsc1 ZINC000048249141 395811631 /nfs/dbraw/zinc/81/16/31/395811631.db2.gz TVIODHRRBHVMCW-JTQLQIEISA-N 1 0 324.366 0.667 20 5 DCBDRO COc1cc(S(=O)(=O)NCC(C)(C)[NH3+])ccc1[N+](=O)[O-] ZINC000237087655 395902092 /nfs/dbraw/zinc/90/20/92/395902092.db2.gz WNPSNHAFMCXVPZ-UHFFFAOYSA-N 1 0 303.340 0.619 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](C2CCCC2)CC1 ZINC000054724517 395904386 /nfs/dbraw/zinc/90/43/86/395904386.db2.gz KNXQQXODSPIBCI-UHFFFAOYSA-N 1 0 307.354 0.878 20 5 DCBDRO C[C@H](O)C[N@@H+]1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C ZINC000246060560 395939783 /nfs/dbraw/zinc/93/97/83/395939783.db2.gz DEOFCKCHGTXLPD-QWRGUYRKSA-N 1 0 322.365 0.585 20 5 DCBDRO Cc1c(C(=O)N[C@H](C)C[NH3+])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000274475435 395950916 /nfs/dbraw/zinc/95/09/16/395950916.db2.gz YLYMXVORXAQDMR-MRVPVSSYSA-N 1 0 304.310 0.561 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274787501 395976437 /nfs/dbraw/zinc/97/64/37/395976437.db2.gz MKKTUGRJPWTSFU-LLVKDONJSA-N 1 0 308.338 0.461 20 5 DCBDRO O=C(CCn1cc([N+](=O)[O-])cn1)N1CC[NH+](CC2CC2)CC1 ZINC000064299515 395985743 /nfs/dbraw/zinc/98/57/43/395985743.db2.gz QUQAZNAXHYLBBE-UHFFFAOYSA-N 1 0 307.354 0.736 20 5 DCBDRO NC(=O)[C@@H]1CCCCN1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248397184 395986491 /nfs/dbraw/zinc/98/64/91/395986491.db2.gz RIYXBHBYPFITSV-JSGCOSHPSA-N 1 0 323.349 0.674 20 5 DCBDRO C[C@H]1CN(C(=O)c2cc(=O)[nH]c3ccc([N+](=O)[O-])cc32)CC[NH2+]1 ZINC000155183235 396047659 /nfs/dbraw/zinc/04/76/59/396047659.db2.gz LJZIOTBJNCJAEO-VIFPVBQESA-N 1 0 316.317 0.870 20 5 DCBDRO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000261666642 396053831 /nfs/dbraw/zinc/05/38/31/396053831.db2.gz LAAZUQMYWJAJSI-QWRGUYRKSA-N 1 0 311.363 0.825 20 5 DCBDRO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000156466899 396061849 /nfs/dbraw/zinc/06/18/49/396061849.db2.gz UDXRDNCEGHRQJU-BXKDBHETSA-N 1 0 315.351 0.332 20 5 DCBDRO C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CN(C)CCO1 ZINC000157424641 396063196 /nfs/dbraw/zinc/06/31/96/396063196.db2.gz MZJXBKOSUZAQQR-BXUZGUMPSA-N 1 0 307.350 0.973 20 5 DCBDRO C[C@@H](CNC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)[NH+](C)C ZINC000067136501 396021248 /nfs/dbraw/zinc/02/12/48/396021248.db2.gz KZSUMPYONMTNCC-JTQLQIEISA-N 1 0 318.337 0.855 20 5 DCBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261973800 396085867 /nfs/dbraw/zinc/08/58/67/396085867.db2.gz ZHWGDRWUBLCUDD-HNNXBMFYSA-N 1 0 318.377 0.643 20 5 DCBDRO CNS(=O)(=O)c1ccc(N[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000071397734 396113215 /nfs/dbraw/zinc/11/32/15/396113215.db2.gz JTKSPPCEDWWVBR-SECBINFHSA-N 1 0 314.367 0.667 20 5 DCBDRO COc1cc(C[NH2+]C[C@@]2(O)CCO[C@H]2C)c([N+](=O)[O-])cc1O ZINC000278576047 396132623 /nfs/dbraw/zinc/13/26/23/396132623.db2.gz FGNJNXMAMYZIOE-XPTSAGLGSA-N 1 0 312.322 0.939 20 5 DCBDRO O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262406966 396136623 /nfs/dbraw/zinc/13/66/23/396136623.db2.gz QERKTICWWWSXJB-LBPRGKRZSA-N 1 0 316.321 0.190 20 5 DCBDRO CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000261885635 396076040 /nfs/dbraw/zinc/07/60/40/396076040.db2.gz NCSSRUUOSAZRFU-HZMBPMFUSA-N 1 0 322.365 0.872 20 5 DCBDRO C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178726774 396205429 /nfs/dbraw/zinc/20/54/29/396205429.db2.gz KWZGLRPXFRZNQX-JQWIXIFHSA-N 1 0 320.349 0.581 20 5 DCBDRO CNC(=O)[C@@]1(C)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280536099 396206465 /nfs/dbraw/zinc/20/64/65/396206465.db2.gz DDSIUNRTNKUAMP-AWEZNQCLSA-N 1 0 308.338 0.215 20 5 DCBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262523089 396150010 /nfs/dbraw/zinc/15/00/10/396150010.db2.gz OKNCNIQPGZLDKS-LBPRGKRZSA-N 1 0 304.350 0.715 20 5 DCBDRO C[NH2+]CCNC(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000262598809 396159686 /nfs/dbraw/zinc/15/96/86/396159686.db2.gz WLWLIOJNGVBSTJ-UHFFFAOYSA-N 1 0 312.351 0.121 20 5 DCBDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Cn1cc([N+](=O)[O-])cn1 ZINC000176908707 396162540 /nfs/dbraw/zinc/16/25/40/396162540.db2.gz QGQJDLYKKKLROE-GFCCVEGCSA-N 1 0 313.358 0.264 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)NCC[N@H+]1CC=CCC1 ZINC000280275079 396190032 /nfs/dbraw/zinc/19/00/32/396190032.db2.gz PWBCOZICFCWURL-UHFFFAOYSA-N 1 0 306.322 0.135 20 5 DCBDRO COCC[N@@H+]1CC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1 ZINC000264469759 396282843 /nfs/dbraw/zinc/28/28/43/396282843.db2.gz GCKKKIVCHMFSKE-NSHDSACASA-N 1 0 311.342 0.018 20 5 DCBDRO Nc1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ncc1[N+](=O)[O-] ZINC000265478465 396320685 /nfs/dbraw/zinc/32/06/85/396320685.db2.gz GIIVXXLUKLWYFF-JTQLQIEISA-N 1 0 322.369 0.880 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000185161998 396320408 /nfs/dbraw/zinc/32/04/08/396320408.db2.gz UXYJNXJCLAYBDE-TUAOUCFPSA-N 1 0 307.354 0.686 20 5 DCBDRO COC[C@](C)([NH3+])CNc1nc(C)cc(C(=O)OC)c1[N+](=O)[O-] ZINC000286015548 396369698 /nfs/dbraw/zinc/36/96/98/396369698.db2.gz ADWZXFWHIQFJIF-CYBMUJFWSA-N 1 0 312.326 0.861 20 5 DCBDRO C[C@H]1C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])n[nH]2)CCCO1 ZINC000286422383 396394823 /nfs/dbraw/zinc/39/48/23/396394823.db2.gz GJXXGOBNAIQUKF-JTQLQIEISA-N 1 0 311.342 0.549 20 5 DCBDRO COc1c(F)cc(S(=O)(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000193261919 396447342 /nfs/dbraw/zinc/44/73/42/396447342.db2.gz BNDJFNMDRYBVGM-UHFFFAOYSA-N 1 0 321.330 0.758 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000372155307 396492690 /nfs/dbraw/zinc/49/26/90/396492690.db2.gz KAIJSFSXEGJTQV-SGMGOOAPSA-N 1 0 310.354 0.511 20 5 DCBDRO O=[N+]([O-])c1ccc(Cn2cc(CN3CC[NH2+]CC3)nn2)cc1 ZINC000594651208 396493728 /nfs/dbraw/zinc/49/37/28/396493728.db2.gz MNUQGOGFQRNYON-UHFFFAOYSA-N 1 0 302.338 0.640 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000580710309 396494461 /nfs/dbraw/zinc/49/44/61/396494461.db2.gz ZGIQMTHERPTVTH-SYQHCUMBSA-N 1 0 310.354 0.699 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]Cc2cn3ccccc3n2)c1 ZINC000581602796 396567667 /nfs/dbraw/zinc/56/76/67/396567667.db2.gz REBSSXKEIFXCMP-ZDUSSCGKSA-N 1 0 316.321 0.590 20 5 DCBDRO O=C1C[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CN1 ZINC000595289974 396580908 /nfs/dbraw/zinc/58/09/08/396580908.db2.gz ILMDJZCEEHDZKS-LBPRGKRZSA-N 1 0 304.350 0.853 20 5 DCBDRO C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1nccn1C ZINC000595382340 396598803 /nfs/dbraw/zinc/59/88/03/396598803.db2.gz FVLULNFXZRGGDO-MRVPVSSYSA-N 1 0 311.323 0.763 20 5 DCBDRO CNS(=O)(=O)[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595394922 396601198 /nfs/dbraw/zinc/60/11/98/396601198.db2.gz KVDMOCBRUBEPQI-NSHDSACASA-N 1 0 317.342 0.857 20 5 DCBDRO [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000595922276 396682590 /nfs/dbraw/zinc/68/25/90/396682590.db2.gz DASRLPBYJFJDJG-CHWSQXEVSA-N 1 0 308.338 0.487 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000595932074 396685729 /nfs/dbraw/zinc/68/57/29/396685729.db2.gz KQQRNKDYNLTDTH-YPMHNXCESA-N 1 0 309.322 0.583 20 5 DCBDRO Cc1cccc(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1[N+](=O)[O-] ZINC000588873816 396697163 /nfs/dbraw/zinc/69/71/63/396697163.db2.gz QHPIVKOGGUEWCE-NSHDSACASA-N 1 0 322.365 0.699 20 5 DCBDRO COC(=O)c1cc(C)nc(N2CC[C@@H](F)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000596032164 396710412 /nfs/dbraw/zinc/71/04/12/396710412.db2.gz HSLFDMMLNWGVAH-NXEZZACHSA-N 1 0 312.301 0.960 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000596127940 396721632 /nfs/dbraw/zinc/72/16/32/396721632.db2.gz DFZBCNFPSDFCGF-AWEZNQCLSA-N 1 0 322.321 0.410 20 5 DCBDRO O=c1[nH]ccc(N2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000596153346 396724964 /nfs/dbraw/zinc/72/49/64/396724964.db2.gz YMMKQCWKRQUSBJ-LLVKDONJSA-N 1 0 308.338 0.854 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@H](C)C1 ZINC000596199061 396729956 /nfs/dbraw/zinc/72/99/56/396729956.db2.gz BBKKXFAATUINMS-GHMZBOCLSA-N 1 0 322.365 0.585 20 5 DCBDRO C[C@@H](O)C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C(N)=O)c2)[C@@H](C)C1 ZINC000596199064 396730215 /nfs/dbraw/zinc/73/02/15/396730215.db2.gz BBKKXFAATUINMS-WDEREUQCSA-N 1 0 322.365 0.585 20 5 DCBDRO C[C@@H](CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])[NH+](C)C ZINC000596425837 396771601 /nfs/dbraw/zinc/77/16/01/396771601.db2.gz WMEXYCKIHCPVHA-VIFPVBQESA-N 1 0 316.383 0.994 20 5 DCBDRO C[C@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C(C)(C)C[NH+](C)C ZINC000564793677 396869410 /nfs/dbraw/zinc/86/94/10/396869410.db2.gz RORRBBJOVPKCIJ-WCQYABFASA-N 1 0 313.402 0.718 20 5 DCBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000590567147 396800453 /nfs/dbraw/zinc/80/04/53/396800453.db2.gz YCFJIGUKJRITQA-PWSUYJOCSA-N 1 0 308.338 0.308 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[NH2+]C2Cc3ccccc3C2)c1 ZINC000319554592 396811449 /nfs/dbraw/zinc/81/14/49/396811449.db2.gz SGEAMGIXGYRKHF-OAHLLOKOSA-N 1 0 302.334 0.909 20 5 DCBDRO COc1ccc(CC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000321611220 396817330 /nfs/dbraw/zinc/81/73/30/396817330.db2.gz LVGVZGYRZUFBNQ-AWEZNQCLSA-N 1 0 320.349 0.993 20 5 DCBDRO COc1c(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000600534237 396885234 /nfs/dbraw/zinc/88/52/34/396885234.db2.gz ODCYSLIKBRCSGS-SNVBAGLBSA-N 1 0 309.322 0.400 20 5 DCBDRO NC(=O)c1ccc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)c([N+](=O)[O-])c1 ZINC000591448870 396922019 /nfs/dbraw/zinc/92/20/19/396922019.db2.gz OVXFKXLIFPQBOG-ZWNOBZJWSA-N 1 0 304.350 0.878 20 5 DCBDRO C[C@@H](CO)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612030348 396983914 /nfs/dbraw/zinc/98/39/14/396983914.db2.gz GJCSVVYZEZSLEH-SNVBAGLBSA-N 1 0 302.352 0.587 20 5 DCBDRO CC[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000591760769 396998466 /nfs/dbraw/zinc/99/84/66/396998466.db2.gz VKQDWRDYFCZBJM-LLVKDONJSA-N 1 0 302.352 0.729 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+]C[C@@H]2COc3ccccc32)c1 ZINC000571636782 396971638 /nfs/dbraw/zinc/97/16/38/396971638.db2.gz QGRNZIMHDLRBPN-YPMHNXCESA-N 1 0 318.333 0.918 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597440025 396972768 /nfs/dbraw/zinc/97/27/68/396972768.db2.gz LAZGUFJKKNWNHH-LLVKDONJSA-N 1 0 308.342 0.233 20 5 DCBDRO C[NH+](C)[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1O ZINC000572778824 397093680 /nfs/dbraw/zinc/09/36/80/397093680.db2.gz VWVAHUCMQXZZKP-STQMWFEESA-N 1 0 305.338 0.578 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601328823 397059136 /nfs/dbraw/zinc/05/91/36/397059136.db2.gz AGFZECDMMVTMPI-PHIMTYICSA-N 1 0 320.349 0.978 20 5 DCBDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)COc2ccccc2[N+](=O)[O-])CCO1 ZINC000592306644 397148056 /nfs/dbraw/zinc/14/80/56/397148056.db2.gz DMLBVBJUNHTUKU-MFKMUULPSA-N 1 0 309.322 0.548 20 5 DCBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O ZINC000619578239 397152930 /nfs/dbraw/zinc/15/29/30/397152930.db2.gz DPPGMXPYBLSRSS-GFCCVEGCSA-N 1 0 322.365 0.699 20 5 DCBDRO COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[NH2+]CC1 ZINC000592365581 397160342 /nfs/dbraw/zinc/16/03/42/397160342.db2.gz DSGWJQGJAKGQMK-UHFFFAOYSA-N 1 0 315.351 0.587 20 5 DCBDRO C[NH2+][C@H]1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)C1 ZINC000592365722 397160491 /nfs/dbraw/zinc/16/04/91/397160491.db2.gz VBGTULASAAUCAJ-VIFPVBQESA-N 1 0 315.351 0.586 20 5 DCBDRO CCn1cc(S(=O)(=O)N[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])n1 ZINC000592387281 397166039 /nfs/dbraw/zinc/16/60/39/397166039.db2.gz FMWDOKLGCWBKSO-SECBINFHSA-N 1 0 317.371 0.232 20 5 DCBDRO CC[NH2+]CCCNC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000592458837 397182818 /nfs/dbraw/zinc/18/28/18/397182818.db2.gz JOKWENOPTAFGKE-NSHDSACASA-N 1 0 322.365 0.829 20 5 DCBDRO CC(C)(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)n1cc([N+](=O)[O-])cn1 ZINC000592544910 397206262 /nfs/dbraw/zinc/20/62/62/397206262.db2.gz JXCMLSCIRMRBKL-CMPLNLGQSA-N 1 0 307.354 0.737 20 5 DCBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000592568729 397219364 /nfs/dbraw/zinc/21/93/64/397219364.db2.gz XMZVGDKNDGQVTI-MNOVXSKESA-N 1 0 322.365 0.957 20 5 DCBDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000598914069 397306653 /nfs/dbraw/zinc/30/66/53/397306653.db2.gz WXADSERHKDVAGO-GFCCVEGCSA-N 1 0 322.321 0.110 20 5 DCBDRO O=C(NCCC1=CC[NH2+]CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913857 397306700 /nfs/dbraw/zinc/30/67/00/397306700.db2.gz QDGHLZLBLRXOKX-UHFFFAOYSA-N 1 0 318.333 0.959 20 5 DCBDRO O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000598913894 397306791 /nfs/dbraw/zinc/30/67/91/397306791.db2.gz RTLSDEIKYPGQEV-GFCCVEGCSA-N 1 0 322.321 0.028 20 5 DCBDRO C[C@@H]1CN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599104107 397336603 /nfs/dbraw/zinc/33/66/03/397336603.db2.gz MTTICFATRUNXAM-DTORHVGOSA-N 1 0 314.367 0.429 20 5 DCBDRO CN1CC[NH+](CC2CN(c3ncc([N+](=O)[O-])cc3F)C2)CC1 ZINC000599109924 397340059 /nfs/dbraw/zinc/34/00/59/397340059.db2.gz XWZQTHHEHKABML-UHFFFAOYSA-N 1 0 309.345 0.813 20 5 DCBDRO CNC(=O)c1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175687 397353308 /nfs/dbraw/zinc/35/33/08/397353308.db2.gz HXHGAJCVDNXHSR-LLVKDONJSA-N 1 0 308.338 0.433 20 5 DCBDRO COC(=O)Cc1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c([N+](=O)[O-])c1 ZINC000599175638 397353813 /nfs/dbraw/zinc/35/38/13/397353813.db2.gz FVNUREOGSFEMAB-GFCCVEGCSA-N 1 0 323.349 0.789 20 5 DCBDRO Nc1nc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)nc(N)[nH+]1 ZINC000599060587 397328916 /nfs/dbraw/zinc/32/89/16/397328916.db2.gz YRCFVHQKEOZSLE-UHFFFAOYSA-N 1 0 301.310 0.774 20 5 DCBDRO O=C(NCCC1CC[NH2+]CC1)NCCn1cc([N+](=O)[O-])cn1 ZINC000593708066 397429894 /nfs/dbraw/zinc/42/98/94/397429894.db2.gz FAIGNBITCFZBNH-UHFFFAOYSA-N 1 0 310.358 0.480 20 5 DCBDRO CC(C)(C(=O)NC[C@H]1COCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000602552535 397437987 /nfs/dbraw/zinc/43/79/87/397437987.db2.gz ULDMXVMYSDTKIX-LBPRGKRZSA-N 1 0 307.350 0.977 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000602828575 397495990 /nfs/dbraw/zinc/49/59/90/397495990.db2.gz HIBBBYLZSDDKJJ-JSGCOSHPSA-N 1 0 323.397 0.895 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000602828579 397496546 /nfs/dbraw/zinc/49/65/46/397496546.db2.gz HIBBBYLZSDDKJJ-TZMCWYRMSA-N 1 0 323.397 0.895 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCOCCO)C1CCC1 ZINC000602885918 397512265 /nfs/dbraw/zinc/51/22/65/397512265.db2.gz ZVEOMSCWKBSGOB-UHFFFAOYSA-N 1 0 312.370 0.963 20 5 DCBDRO C[N@@H+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](CO)C1 ZINC000602904678 397519219 /nfs/dbraw/zinc/51/92/19/397519219.db2.gz JPMXOONQHOPLCL-CQSZACIVSA-N 1 0 309.366 0.972 20 5 DCBDRO CSC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1 ZINC000602920485 397523463 /nfs/dbraw/zinc/52/34/63/397523463.db2.gz OTUMQPVJZPWPCJ-NSHDSACASA-N 1 0 300.384 0.980 20 5 DCBDRO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000579121446 397526216 /nfs/dbraw/zinc/52/62/16/397526216.db2.gz FRQLENAXSPBKCY-GWCFXTLKSA-N 1 0 323.353 0.676 20 5 DCBDRO CCN(CC[NH3+])C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000599887580 397534654 /nfs/dbraw/zinc/53/46/54/397534654.db2.gz ILCUSSYGCNYRFM-UHFFFAOYSA-N 1 0 314.729 0.994 20 5 DCBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)NC[C@H]1COCC[NH2+]1 ZINC000599931533 397542713 /nfs/dbraw/zinc/54/27/13/397542713.db2.gz DHHWTKWBXLZBBX-LBPRGKRZSA-N 1 0 308.338 0.725 20 5 DCBDRO Cc1ccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1[N+](=O)[O-] ZINC000579972669 397601954 /nfs/dbraw/zinc/60/19/54/397601954.db2.gz FTLDTMASHCWBCK-NWDGAFQWSA-N 1 0 318.333 0.287 20 5 DCBDRO O=[N+]([O-])c1cccc(OC[C@H](O)CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000603833507 397623404 /nfs/dbraw/zinc/62/34/04/397623404.db2.gz QEMJFDCCPPWEDE-MBNYWOFBSA-N 1 0 307.350 0.486 20 5 DCBDRO O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000603910094 397627570 /nfs/dbraw/zinc/62/75/70/397627570.db2.gz IZXGTBNILAIVOM-BETUJISGSA-N 1 0 316.361 0.635 20 5 DCBDRO COCC[N@@H+]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)C1 ZINC000609280445 397768475 /nfs/dbraw/zinc/76/84/75/397768475.db2.gz PNNWVPFTSROPSO-JTQLQIEISA-N 1 0 324.337 0.536 20 5 DCBDRO Cn1cc([N+](=O)[O-])cc1C(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000609624213 397787357 /nfs/dbraw/zinc/78/73/57/397787357.db2.gz RCHBAPRVHHKJRG-UHFFFAOYSA-N 1 0 323.397 0.691 20 5 DCBDRO C[C@H]1CCC[C@@](CNC(=O)Cn2cnc([N+](=O)[O-])n2)([NH+](C)C)C1 ZINC000064309618 158032609 /nfs/dbraw/zinc/03/26/09/158032609.db2.gz WPROEYKDDGLQBT-SMDDNHRTSA-N 1 0 324.385 0.813 20 5 DCBDRO Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000408054602 160024503 /nfs/dbraw/zinc/02/45/03/160024503.db2.gz SWKFCNUJDNSPNT-GHMZBOCLSA-N 1 0 307.354 0.885 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000151272383 287032726 /nfs/dbraw/zinc/03/27/26/287032726.db2.gz NWRFZPLGERCUNA-LLVKDONJSA-N 1 0 322.369 0.575 20 5 DCBDRO O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000370730928 287224304 /nfs/dbraw/zinc/22/43/04/287224304.db2.gz RMOINKAVHMZJQI-YUMQZZPRSA-N 1 0 321.305 0.712 20 5 DCBDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCc2ccccc2[N+](=O)[O-])C1 ZINC000419044997 287263711 /nfs/dbraw/zinc/26/37/11/287263711.db2.gz VHBROULNAOPOSV-GFCCVEGCSA-N 1 0 320.349 0.074 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419149707 287269607 /nfs/dbraw/zinc/26/96/07/287269607.db2.gz LDICTPIJICDGHV-MNOVXSKESA-N 1 0 322.365 0.744 20 5 DCBDRO [NH3+]C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)no2)CCO1 ZINC000420247134 287285354 /nfs/dbraw/zinc/28/53/54/287285354.db2.gz ULXFCQXAGLDSIP-NSHDSACASA-N 1 0 305.294 0.809 20 5 DCBDRO CN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000267582632 415143775 /nfs/dbraw/zinc/14/37/75/415143775.db2.gz ZHPUWWXVLVMKFP-UHFFFAOYSA-N 1 0 305.331 0.916 20 5 DCBDRO Cc1nn(C)c(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000268189733 415172816 /nfs/dbraw/zinc/17/28/16/415172816.db2.gz MVNJQPPWAJUJEL-KCJUWKMLSA-N 1 0 307.354 0.849 20 5 DCBDRO O=[N+]([O-])c1cccc(OCCN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352504531 415196371 /nfs/dbraw/zinc/19/63/71/415196371.db2.gz RATSOGHOVZPOGU-OAHLLOKOSA-N 1 0 320.393 0.953 20 5 DCBDRO [NH3+]C1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000269120890 415249005 /nfs/dbraw/zinc/24/90/05/415249005.db2.gz SUIQRTRBRVYBIN-UHFFFAOYSA-N 1 0 307.306 0.929 20 5 DCBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Cn1cnc([N+](=O)[O-])n1 ZINC000332231149 415309358 /nfs/dbraw/zinc/30/93/58/415309358.db2.gz MNGJACBIEZGEPI-QWRGUYRKSA-N 1 0 308.342 0.272 20 5 DCBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352805146 415330601 /nfs/dbraw/zinc/33/06/01/415330601.db2.gz RCZJJTHHKAQHAO-KBPBESRZSA-N 1 0 323.349 0.923 20 5 DCBDRO CCn1cc(S(=O)(=O)NC2CCC([NH3+])CC2)c([N+](=O)[O-])n1 ZINC000353269638 415492615 /nfs/dbraw/zinc/49/26/15/415492615.db2.gz YNFZCXKCOHMEIG-UHFFFAOYSA-N 1 0 317.371 0.359 20 5 DCBDRO C[C@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+]1CCCC[C@@H]1C ZINC000343066959 415431020 /nfs/dbraw/zinc/43/10/20/415431020.db2.gz JJQMFCIGMRRLEM-WDEREUQCSA-N 1 0 310.358 0.565 20 5 DCBDRO COC[C@H](CO)[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353620121 415606619 /nfs/dbraw/zinc/60/66/19/415606619.db2.gz ICRPHRFZCGCITJ-PWSUYJOCSA-N 1 0 311.338 0.909 20 5 DCBDRO [NH3+][C@@H]1CCc2nc(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000343858588 415755485 /nfs/dbraw/zinc/75/54/85/415755485.db2.gz NSJPZRXQOMWREL-RXMQYKEDSA-N 1 0 308.323 0.843 20 5 DCBDRO COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C)CC[NH3+] ZINC000336832694 415825359 /nfs/dbraw/zinc/82/53/59/415825359.db2.gz MRVMSUNKBPIXEF-MRVPVSSYSA-N 1 0 303.340 0.619 20 5 DCBDRO O=C(N[C@H]1CC[NH2+]C1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000126351561 415872787 /nfs/dbraw/zinc/87/27/87/415872787.db2.gz DLUDBAXXSJGXIA-UWVGGRQHSA-N 1 0 322.321 0.271 20 5 DCBDRO NC(=O)[C@H]1CCC[N@H+](CCCNc2ccc([N+](=O)[O-])nc2)C1 ZINC000344419379 415912585 /nfs/dbraw/zinc/91/25/85/415912585.db2.gz NADJVULLXVKXMP-NSHDSACASA-N 1 0 307.354 0.989 20 5 DCBDRO C[C@@H]1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N1 ZINC000296211943 415915221 /nfs/dbraw/zinc/91/52/21/415915221.db2.gz NJZNPVKUTZAVNX-SNVBAGLBSA-N 1 0 306.322 0.744 20 5 DCBDRO CC[N@H+](CCO)CCNC(=O)c1cccc([N+](=O)[O-])c1OC ZINC000356796439 415988914 /nfs/dbraw/zinc/98/89/14/415988914.db2.gz OZOLWSRRXAHZJE-UHFFFAOYSA-N 1 0 311.338 0.647 20 5 DCBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])[nH]1)C[NH+]1CCN(C)CC1 ZINC000298970055 416041596 /nfs/dbraw/zinc/04/15/96/416041596.db2.gz DHPOODHIBVKAAF-NSHDSACASA-N 1 0 309.370 0.536 20 5 DCBDRO Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000298591726 416016495 /nfs/dbraw/zinc/01/64/95/416016495.db2.gz GATLCFUAYOHJTP-JTQLQIEISA-N 1 0 308.338 0.908 20 5 DCBDRO C[C@@H](CNC(=O)Cn1cnc([N+](=O)[O-])n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000357892258 416148568 /nfs/dbraw/zinc/14/85/68/416148568.db2.gz RPTZRABQFMJWRA-MNOVXSKESA-N 1 0 310.358 0.423 20 5 DCBDRO CC(C)c1n[nH]c(C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000358066873 416185808 /nfs/dbraw/zinc/18/58/08/416185808.db2.gz NIWMEHZTHAEBRP-CYBMUJFWSA-N 1 0 311.342 0.238 20 5 DCBDRO CN(C(=O)CN1CCO[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000358119153 416194740 /nfs/dbraw/zinc/19/47/40/416194740.db2.gz JBAANQMUSZCYIL-CYBMUJFWSA-N 1 0 308.338 0.217 20 5 DCBDRO CCS(=O)(=O)N1CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000190292413 416278497 /nfs/dbraw/zinc/27/84/97/416278497.db2.gz SEFZNVNJXFZVQF-UHFFFAOYSA-N 1 0 313.379 0.966 20 5 DCBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000331295265 416304936 /nfs/dbraw/zinc/30/49/36/416304936.db2.gz SJNHHSNFBGFALP-RFHZTLPTSA-N 1 0 312.370 0.634 20 5 DCBDRO CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])cnc2C)[C@@H](C[NH3+])C1 ZINC000359204473 416313832 /nfs/dbraw/zinc/31/38/32/416313832.db2.gz DOKSCWYCQRZFCT-PWSUYJOCSA-N 1 0 308.338 0.877 20 5 DCBDRO C[C@@H]([NH3+])CNS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000193317653 416315781 /nfs/dbraw/zinc/31/57/81/416315781.db2.gz CAVOTGXYUBOWHX-MRVPVSSYSA-N 1 0 310.335 0.769 20 5 DCBDRO Cc1nn(C)c(NCCC[N@@H+]2CCC[C@H]2C(N)=O)c1[N+](=O)[O-] ZINC000358899992 416291578 /nfs/dbraw/zinc/29/15/78/416291578.db2.gz JWWZKZAICHZAHX-JTQLQIEISA-N 1 0 310.358 0.388 20 5 DCBDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415500636 416345789 /nfs/dbraw/zinc/34/57/89/416345789.db2.gz SVHRIDWBEPWRTO-GFCCVEGCSA-N 1 0 306.322 0.744 20 5 DCBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000415509261 416345970 /nfs/dbraw/zinc/34/59/70/416345970.db2.gz HJLRBXBHOSSTNX-SECBINFHSA-N 1 0 308.338 0.807 20 5 DCBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000415813812 416354644 /nfs/dbraw/zinc/35/46/44/416354644.db2.gz HDKXLVYBFJKUJP-PELKAZGASA-N 1 0 322.296 0.493 20 5 DCBDRO [NH3+]CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000237877616 416328809 /nfs/dbraw/zinc/32/88/09/416328809.db2.gz MAGLNSKBIWGUGZ-UHFFFAOYSA-N 1 0 302.128 0.975 20 5 DCBDRO [NH3+][C@@H]1CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000237929880 416329176 /nfs/dbraw/zinc/32/91/76/416329176.db2.gz SJLGYMQUTPBXAW-SNVBAGLBSA-N 1 0 301.306 0.954 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000420266017 416417718 /nfs/dbraw/zinc/41/77/18/416417718.db2.gz FNZZUQOADXYVGX-GFCCVEGCSA-N 1 0 318.337 0.960 20 5 DCBDRO Cc1c(CNC(=O)C(=O)NCC(C)(C)[NH3+])cccc1[N+](=O)[O-] ZINC000419760854 416409563 /nfs/dbraw/zinc/40/95/63/416409563.db2.gz OLFGAVYVEZHQND-UHFFFAOYSA-N 1 0 308.338 0.373 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@@H](O)C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000583929950 416485725 /nfs/dbraw/zinc/48/57/25/416485725.db2.gz KWRUCADGENZLHS-JQWIXIFHSA-N 1 0 306.326 0.022 20 5 DCBDRO CN(C(=O)C[N@@H+]1CC[C@@](C)(C(N)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000361565678 416453719 /nfs/dbraw/zinc/45/37/19/416453719.db2.gz NTWIHWLFQAIDEG-OAHLLOKOSA-N 1 0 320.349 0.755 20 5 DCBDRO C[C@@H]1CCN(C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C[C@@H]1C[NH3+] ZINC000424013916 416604694 /nfs/dbraw/zinc/60/46/94/416604694.db2.gz LAXQMORQUAFTLL-MNOVXSKESA-N 1 0 309.370 0.970 20 5 DCBDRO CCC[NH2+]CCNS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000440838342 416651185 /nfs/dbraw/zinc/65/11/85/416651185.db2.gz PYFPKULKARYGMM-UHFFFAOYSA-N 1 0 305.360 0.089 20 5 DCBDRO COC(=O)c1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000515059487 416690498 /nfs/dbraw/zinc/69/04/98/416690498.db2.gz WVTVYZZXZARMMM-NSHDSACASA-N 1 0 307.306 0.815 20 5 DCBDRO CNc1nccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000553558856 416704512 /nfs/dbraw/zinc/70/45/12/416704512.db2.gz UMFZOYPWLKWEPE-SNVBAGLBSA-N 1 0 307.354 1.055 20 5 DCBDRO C[NH2+]CCCNC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000428150030 416882155 /nfs/dbraw/zinc/88/21/55/416882155.db2.gz IMZNFJHFJAIOJJ-UHFFFAOYSA-N 1 0 323.353 0.120 20 5 DCBDRO CCCC[N@H+](C)CCNC(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000563896338 416887020 /nfs/dbraw/zinc/88/70/20/416887020.db2.gz HADCTWFLGRQVNA-UHFFFAOYSA-N 1 0 309.370 1.493 20 5 DCBDRO CCN(C)C(=O)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000518172368 416838972 /nfs/dbraw/zinc/83/89/72/416838972.db2.gz VMTCIEFCGZTSQB-NSHDSACASA-N 1 0 311.338 0.402 20 5 DCBDRO CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000429558824 416980158 /nfs/dbraw/zinc/98/01/58/416980158.db2.gz VGHMDRFQLKGYBX-WDEREUQCSA-N 1 0 324.385 0.681 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000429979305 417008736 /nfs/dbraw/zinc/00/87/36/417008736.db2.gz YQFYCNRRCJXSBP-GFCCVEGCSA-N 1 0 309.322 0.598 20 5 DCBDRO CN(CCOc1cccc([N+](=O)[O-])c1)CC(=O)N1CC[NH2+]CC1 ZINC000430605285 287346508 /nfs/dbraw/zinc/34/65/08/287346508.db2.gz SBMQLXJEGUAAGL-UHFFFAOYSA-N 1 0 322.365 0.337 20 5 DCBDRO C[NH2+][C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000430642624 417055027 /nfs/dbraw/zinc/05/50/27/417055027.db2.gz VOOMDDMOPOHEIW-SNVBAGLBSA-N 1 0 308.338 0.836 20 5 DCBDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000525129216 417124366 /nfs/dbraw/zinc/12/43/66/417124366.db2.gz PZUSHHFKTBUUAN-JTQLQIEISA-N 1 0 314.367 0.705 20 5 DCBDRO CCOc1ccc(NC(=O)CN2CC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC000430634912 287349027 /nfs/dbraw/zinc/34/90/27/287349027.db2.gz TWDYRCXGPOLVOS-JTQLQIEISA-N 1 0 308.338 0.965 20 5 DCBDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525189017 417126241 /nfs/dbraw/zinc/12/62/41/417126241.db2.gz WHSWEEYICCRSIO-UHFFFAOYSA-N 1 0 314.367 0.706 20 5 DCBDRO Nc1c(C(=O)N[C@H]2C[NH2+]CCC2(F)F)cccc1[N+](=O)[O-] ZINC000449661992 417159800 /nfs/dbraw/zinc/15/98/00/417159800.db2.gz KAZHMEOCEWVBPU-VIFPVBQESA-N 1 0 300.265 0.904 20 5 DCBDRO Cc1cccc(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c1[N+](=O)[O-] ZINC000569021051 417206325 /nfs/dbraw/zinc/20/63/25/417206325.db2.gz NCUUPHDNZTWPTB-CMPLNLGQSA-N 1 0 318.333 0.287 20 5 DCBDRO NC(=O)c1ccc(NC[C@H]2CCC[N@@H+]2CCCO)c([N+](=O)[O-])c1 ZINC000450594798 417244232 /nfs/dbraw/zinc/24/42/32/417244232.db2.gz KVUUPLHKMCEKSW-GFCCVEGCSA-N 1 0 322.365 0.952 20 5 DCBDRO C[NH2+]CCCNC(=O)C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415306200 417363168 /nfs/dbraw/zinc/36/31/68/417363168.db2.gz LAAGUENHWDCJPU-UHFFFAOYSA-N 1 0 308.338 0.876 20 5 DCBDRO CC[C@@H]([NH3+])CNCc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000414989683 417321548 /nfs/dbraw/zinc/32/15/48/417321548.db2.gz NVIHBPJKGSYSPM-LLVKDONJSA-N 1 0 311.338 0.974 20 5 DCBDRO CN(C)c1cccnc1C[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000571159533 417430645 /nfs/dbraw/zinc/43/06/45/417430645.db2.gz SSNKKLFHNGPDAL-GFCCVEGCSA-N 1 0 320.353 0.403 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000575800211 417550603 /nfs/dbraw/zinc/55/06/03/417550603.db2.gz HBOACBUOZRXJFH-KGLIPLIRSA-N 1 0 310.354 0.653 20 5 DCBDRO CNc1nc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000455018434 417590304 /nfs/dbraw/zinc/59/03/04/417590304.db2.gz WVIWAJNFKRLFOJ-VIFPVBQESA-N 1 0 305.338 0.998 20 5 DCBDRO O=C(NC[C@H]1CN(C2CC2)CCO1)Nc1ccncc1[N+](=O)[O-] ZINC000455043904 417591336 /nfs/dbraw/zinc/59/13/36/417591336.db2.gz PUFKEVHCFIONOL-NSHDSACASA-N 1 0 321.337 0.396 20 5 DCBDRO CN(CC[NH+](C)C)c1cccc([N+](=O)[O-])c1S(N)(=O)=O ZINC000531095046 417605762 /nfs/dbraw/zinc/60/57/62/417605762.db2.gz JLVKZEXDZWTXSH-UHFFFAOYSA-N 1 0 302.356 0.240 20 5 DCBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000576053078 417576883 /nfs/dbraw/zinc/57/68/83/417576883.db2.gz AZGLCZZRCKRQFG-SWHYSGLUSA-N 1 0 304.350 0.900 20 5 DCBDRO C[C@@H]1CN(c2c([N+](=O)[O-])ncn2C)CCN1C1CC[NH+](C)CC1 ZINC000354742285 261265674 /nfs/dbraw/zinc/26/56/74/261265674.db2.gz ZJQPNGHQWBOMIC-GFCCVEGCSA-N 1 0 322.413 0.933 20 5 DCBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC(N)=O ZINC000355624997 261354310 /nfs/dbraw/zinc/35/43/10/261354310.db2.gz STDXGEUEVLMYHC-UHFFFAOYSA-N 1 0 322.321 0.700 20 5 DCBDRO CN1CC[NH2+]C[C@@H]1CNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000394075571 262161959 /nfs/dbraw/zinc/16/19/59/262161959.db2.gz ODAIMYQECRHCBY-HJHHMULASA-N 1 0 304.350 0.628 20 5 DCBDRO [NH3+]CC[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)F ZINC000394800541 262162507 /nfs/dbraw/zinc/16/25/07/262162507.db2.gz SWJVOMSITMIRMT-VIFPVBQESA-N 1 0 309.294 0.856 20 5 DCBDRO COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000394613211 262162922 /nfs/dbraw/zinc/16/29/22/262162922.db2.gz NFOQWXFUWNQYNT-YUMQZZPRSA-N 1 0 303.340 0.617 20 5 DCBDRO C[C@@H]1CN(C(=O)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC[NH2+]1 ZINC000418085746 262269717 /nfs/dbraw/zinc/26/97/17/262269717.db2.gz WOLDAQKOQCRPGG-SECBINFHSA-N 1 0 318.337 0.974 20 5 DCBDRO C[NH2+]CCNC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000418321484 262274970 /nfs/dbraw/zinc/27/49/70/262274970.db2.gz ZFMAZHWHUDQSLK-UHFFFAOYSA-N 1 0 308.342 0.041 20 5 DCBDRO C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000418788155 262289958 /nfs/dbraw/zinc/28/99/58/262289958.db2.gz VFKZUDJFSSUDPH-GBIKHYSHSA-N 1 0 320.349 0.578 20 5 DCBDRO CC[NH2+][C@H](C)CNC(=O)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000418927183 262299053 /nfs/dbraw/zinc/29/90/53/262299053.db2.gz WPIPZFVJKPFGLE-LLVKDONJSA-N 1 0 322.365 0.368 20 5 DCBDRO C[NH2+]CCCNS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000420403556 262374098 /nfs/dbraw/zinc/37/40/98/262374098.db2.gz LJGHHGARNDFYRT-UHFFFAOYSA-N 1 0 301.368 0.666 20 5 DCBDRO Cc1cc(S(=O)(=O)NC[C@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC000420471947 262374866 /nfs/dbraw/zinc/37/48/66/262374866.db2.gz BCWHYUKAUUFJQI-SNVBAGLBSA-N 1 0 315.351 0.170 20 5 DCBDRO O=C(NCCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000423893760 262468609 /nfs/dbraw/zinc/46/86/09/262468609.db2.gz CXLLUAOYVMPKFU-UHTWSYAYSA-N 1 0 307.354 0.828 20 5 DCBDRO C[NH2+]CCCNC(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000418279160 271239247 /nfs/dbraw/zinc/23/92/47/271239247.db2.gz OJNPHGDFRAQQJM-UHFFFAOYSA-N 1 0 308.338 0.977 20 5 DCBDRO C[NH2+]C[C@@H](C)CNC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000429238299 271452350 /nfs/dbraw/zinc/45/23/50/271452350.db2.gz ZATMIFPPTOJUEE-SNVBAGLBSA-N 1 0 323.349 0.880 20 5 DCBDRO O=C(/C=C\c1ccc(F)cc1[N+](=O)[O-])NCCN1CC[NH2+]CC1 ZINC000493141154 272171352 /nfs/dbraw/zinc/17/13/52/272171352.db2.gz PESLCSQGCQDJAL-RQOWECAXSA-N 1 0 322.340 0.769 20 5 DCBDRO CN1CCN(C(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000493689102 272204600 /nfs/dbraw/zinc/20/46/00/272204600.db2.gz QQEZWARWMQNXRG-LQPUYASZSA-N 1 0 322.340 0.848 20 5 DCBDRO COc1cc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc([N+](=O)[O-])c1OC ZINC000495134339 272239678 /nfs/dbraw/zinc/23/96/78/272239678.db2.gz XPWTYAPMRBNSFB-GDGBQDQQSA-N 1 0 307.306 0.560 20 5 DCBDRO CCOC1CC(CC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000514932508 272412254 /nfs/dbraw/zinc/41/22/54/272412254.db2.gz ILNBBRNUBYBAPN-HRDQMINSSA-N 1 0 312.370 0.947 20 5 DCBDRO C[C@]1(C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCCC[C@@H]1O ZINC000563810612 288705844 /nfs/dbraw/zinc/70/58/44/288705844.db2.gz IVUHURAWNXFVGB-MELADBBJSA-N 1 0 312.370 0.683 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000564840252 288775128 /nfs/dbraw/zinc/77/51/28/288775128.db2.gz FMGOAPZKMAHRMW-UONOGXRCSA-N 1 0 321.333 0.806 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000564841609 288775377 /nfs/dbraw/zinc/77/53/77/288775377.db2.gz SDEJXBSAVPLMKE-LLVKDONJSA-N 1 0 309.322 0.712 20 5 DCBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1cccnn1 ZINC000584227390 331870696 /nfs/dbraw/zinc/87/06/96/331870696.db2.gz OYEBXMOJZDUJFV-GFCCVEGCSA-N 1 0 304.306 0.914 20 5 DCBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000571226319 333685512 /nfs/dbraw/zinc/68/55/12/333685512.db2.gz NDTLAYQXOHRQDG-WCQYABFASA-N 1 0 318.333 0.546 20 5 DCBDRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000393623920 337093330 /nfs/dbraw/zinc/09/33/30/337093330.db2.gz UNXYNLIKHNKZNE-PWSUYJOCSA-N 1 0 300.359 0.539 20 5 DCBDRO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000266542044 521439882 /nfs/dbraw/zinc/43/98/82/521439882.db2.gz HACVUMLWZHLONA-CYBMUJFWSA-N 1 0 308.342 0.408 20 5 DCBDRO [NH3+]C[C@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000155750519 527228006 /nfs/dbraw/zinc/22/80/06/527228006.db2.gz WOQGNLQPLSNQKF-ZDUSSCGKSA-N 1 0 322.365 0.780 20 5 DCBDRO O=C(Cn1ccc([N+](=O)[O-])n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000238143601 527378555 /nfs/dbraw/zinc/37/85/55/527378555.db2.gz OTMKDJCZAUCVOJ-UHFFFAOYSA-N 1 0 307.354 0.782 20 5 DCBDRO CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000423534844 535427160 /nfs/dbraw/zinc/42/71/60/535427160.db2.gz BBEUIXNPOPUTFE-LLVKDONJSA-N 1 0 309.322 0.793 20 5 DCBDRO CN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736798848 598501962 /nfs/dbraw/zinc/50/19/62/598501962.db2.gz JCIDUHDPPDAZFM-UHFFFAOYSA-N 1 0 318.341 0.702 20 5 DCBDRO C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736858889 598503890 /nfs/dbraw/zinc/50/38/90/598503890.db2.gz VLWNGFUHLVRABS-VIFPVBQESA-N 1 0 318.341 0.924 20 5 DCBDRO O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1)c1nnc[nH]1 ZINC001022868944 658710442 /nfs/dbraw/zinc/71/04/42/658710442.db2.gz DLQVCMZLEHPERE-PHIMTYICSA-N 1 0 316.321 0.764 20 5 DCBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1C[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001019999380 659642862 /nfs/dbraw/zinc/64/28/62/659642862.db2.gz MUBLOJTZCPNETD-KYZUINATSA-N 1 0 319.325 0.102 20 5 DCBDRO Cn1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cn1 ZINC000940107673 665701487 /nfs/dbraw/zinc/70/14/87/665701487.db2.gz NVWDINYPFMSQMK-CHWSQXEVSA-N 1 0 321.381 0.556 20 5 DCBDRO COc1ccc(S(=O)(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000261798928 661703205 /nfs/dbraw/zinc/70/32/05/661703205.db2.gz YNEGYAFKWHZDHL-PSASIEDQSA-N 1 0 315.351 0.714 20 5 DCBDRO COC(=O)[C@H]1[C@@H](C[NH2+]CCn2cc([N+](=O)[O-])cn2)C1(F)F ZINC000894343488 661907071 /nfs/dbraw/zinc/90/70/71/661907071.db2.gz CXQBZZVQJXBURM-RKDXNWHRSA-N 1 0 304.253 0.435 20 5 DCBDRO COc1cc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)on1 ZINC000983652640 661997983 /nfs/dbraw/zinc/99/79/83/661997983.db2.gz DVPXYCODBQTNKX-CNVPUSNMSA-N 1 0 324.337 0.333 20 5 DCBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896577850 662294663 /nfs/dbraw/zinc/29/46/63/662294663.db2.gz SMCPEMZJWRJCFS-SMDDNHRTSA-N 1 0 321.381 0.662 20 5 DCBDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000900332564 663234623 /nfs/dbraw/zinc/23/46/23/663234623.db2.gz YXQKIGYTANCJIC-UKRRQHHQSA-N 1 0 307.350 0.709 20 5 DCBDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000901217966 663331269 /nfs/dbraw/zinc/33/12/69/663331269.db2.gz JLWMULDUNAAYPK-LRDDRELGSA-N 1 0 319.361 0.935 20 5 DCBDRO C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000903285309 663451197 /nfs/dbraw/zinc/45/11/97/663451197.db2.gz IRTAEYJUVVYHFS-SWLSCSKDSA-N 1 0 309.366 0.939 20 5 DCBDRO CC[NH+]1CCN(c2cc(N(C)C(=O)CO)cc([N+](=O)[O-])c2)CC1 ZINC000906099127 663599247 /nfs/dbraw/zinc/59/92/47/663599247.db2.gz WSHWHIMTPIWMSQ-UHFFFAOYSA-N 1 0 322.365 0.692 20 5 DCBDRO CN1CC[N@H+](C)CC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000906751429 663638157 /nfs/dbraw/zinc/63/81/57/663638157.db2.gz IAHYFEHTTWBXIC-UHFFFAOYSA-N 1 0 318.377 0.977 20 5 DCBDRO CSc1ccc([N+](=O)[O-])cc1C(=O)NCCN1CC[NH2+]CC1 ZINC000911693241 664100928 /nfs/dbraw/zinc/10/09/28/664100928.db2.gz HXHPPRCMMCJZBL-UHFFFAOYSA-N 1 0 324.406 0.952 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912919693 664245077 /nfs/dbraw/zinc/24/50/77/664245077.db2.gz MUWNJLZEDCWOFQ-LBPRGKRZSA-N 1 0 307.354 0.796 20 5 DCBDRO O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903974 664246230 /nfs/dbraw/zinc/24/62/30/664246230.db2.gz NGZXWUDICSPTBQ-ZIAGYGMSSA-N 1 0 305.334 0.935 20 5 DCBDRO Cc1nc([N+](=O)[O-])cn1CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913288910 664298369 /nfs/dbraw/zinc/29/83/69/664298369.db2.gz IADRWQISGPNAJK-HUUCEWRRSA-N 1 0 321.381 0.900 20 5 DCBDRO Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)s1 ZINC001031661954 665273338 /nfs/dbraw/zinc/27/33/38/665273338.db2.gz OEBZVTOYCYMAMK-VXGBXAGGSA-N 1 0 324.406 0.973 20 5 DCBDRO O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001031663439 665274296 /nfs/dbraw/zinc/27/42/96/665274296.db2.gz ZYUDDAFECGOOJL-ZIAGYGMSSA-N 1 0 311.382 0.516 20 5 DCBDRO Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001002782653 666221056 /nfs/dbraw/zinc/22/10/56/666221056.db2.gz MYJRASUILOIXGQ-ZIAGYGMSSA-N 1 0 321.381 0.474 20 5 DCBDRO C[C@H]([NH2+]Cc1cn(C)c(=O)n(C)c1=O)c1ccc([N+](=O)[O-])cc1 ZINC000922541422 666479823 /nfs/dbraw/zinc/47/98/23/666479823.db2.gz VDSDLJPGDZPKIA-JTQLQIEISA-N 1 0 318.333 0.843 20 5 DCBDRO CCn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nn1 ZINC000996442449 666786534 /nfs/dbraw/zinc/78/65/34/666786534.db2.gz WDNPBKLISXXXQJ-CHWSQXEVSA-N 1 0 322.369 0.044 20 5 DCBDRO Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)nc1 ZINC000996428466 666790365 /nfs/dbraw/zinc/79/03/65/666790365.db2.gz FNTQNOHQBSNDFA-CHWSQXEVSA-N 1 0 319.365 0.531 20 5 DCBDRO O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001034642518 667088722 /nfs/dbraw/zinc/08/87/22/667088722.db2.gz DIBXPPFVXBKGLN-FPQZTECRSA-N 1 0 308.338 0.857 20 5 DCBDRO COC(=O)C1=CC[C@H]([NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1 ZINC000863571856 667159329 /nfs/dbraw/zinc/15/93/29/667159329.db2.gz FZOHGJIIOXRPBM-CMPLNLGQSA-N 1 0 310.310 0.004 20 5 DCBDRO Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1NC[C@H](O)C[NH+](C)C ZINC000865435881 667325354 /nfs/dbraw/zinc/32/53/54/667325354.db2.gz QSUHESLBWPDKDB-LURJTMIESA-N 1 0 311.264 0.682 20 5 DCBDRO CN(C(=O)C(N)=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001005913621 667460720 /nfs/dbraw/zinc/46/07/20/667460720.db2.gz ICRYKUPPYQUNJW-UHFFFAOYSA-N 1 0 320.349 0.503 20 5 DCBDRO Cn1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000885860190 667713022 /nfs/dbraw/zinc/71/30/22/667713022.db2.gz HFVHPCXNJIRNEO-LBPRGKRZSA-N 1 0 322.365 0.916 20 5 DCBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cn2ccnn2)cc1Cl ZINC000839178066 667735008 /nfs/dbraw/zinc/73/50/08/667735008.db2.gz BIMMXUUKSCINLK-SNVBAGLBSA-N 1 0 311.729 0.990 20 5 DCBDRO C[NH+](C)C[C@H](N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000876551822 668463897 /nfs/dbraw/zinc/46/38/97/668463897.db2.gz YAQZFEQLSMCDSD-AWEZNQCLSA-N 1 0 321.381 0.132 20 5 DCBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3OCCO3)CC2)cn1 ZINC000767761370 668585487 /nfs/dbraw/zinc/58/54/87/668585487.db2.gz FDGFUTNVTJSNSI-UHFFFAOYSA-N 1 0 308.338 0.875 20 5 DCBDRO COc1ccc(C[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877719721 668642699 /nfs/dbraw/zinc/64/26/99/668642699.db2.gz FRTYBJWQKSTATK-PHIMTYICSA-N 1 0 319.317 0.650 20 5 DCBDRO C[C@](CO)(NC[C@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000879273068 669007886 /nfs/dbraw/zinc/00/78/86/669007886.db2.gz GXTANQQFLKAAIT-JKSUJKDBSA-N 1 0 323.393 0.849 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000879560192 669062851 /nfs/dbraw/zinc/06/28/51/669062851.db2.gz RXNUTQQKWCVJQJ-GMXVVIOVSA-N 1 0 312.395 0.837 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880074301 669155484 /nfs/dbraw/zinc/15/54/84/669155484.db2.gz XNJVYSZELLZEQA-QWHCGFSZSA-N 1 0 309.370 0.241 20 5 DCBDRO COC(=O)COc1ccc(C[NH2+][C@H]2CCN(C)C2)cc1[N+](=O)[O-] ZINC000788960005 669464842 /nfs/dbraw/zinc/46/48/42/669464842.db2.gz JQHZHMVCJQDISJ-LBPRGKRZSA-N 1 0 323.349 0.940 20 5 DCBDRO C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[C@@H]2c2cccc([N+](=O)[O-])c2)C1 ZINC000935399291 669717290 /nfs/dbraw/zinc/71/72/90/669717290.db2.gz IOWJJDRKUKTFNN-YCPHGPKFSA-N 1 0 319.361 0.881 20 5 DCBDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000716729932 670271476 /nfs/dbraw/zinc/27/14/76/670271476.db2.gz KLMLDZOVPKPDEN-VIFPVBQESA-N 1 0 301.730 0.901 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CO)C[NH+](C)C ZINC000808174230 670395545 /nfs/dbraw/zinc/39/55/45/670395545.db2.gz FDZJJEGULBUEFK-JTQLQIEISA-N 1 0 310.354 0.313 20 5 DCBDRO NC(=O)c1ccnc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1[N+](=O)[O-] ZINC000811782108 670549175 /nfs/dbraw/zinc/54/91/75/670549175.db2.gz GMROMKFQUVJJIQ-ZJUUUORDSA-N 1 0 321.337 0.364 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCn3cc([N+](=O)[O-])cn3)C[C@@H]2C1 ZINC000812333808 670575960 /nfs/dbraw/zinc/57/59/60/670575960.db2.gz PGUOUDKRORHRTO-NEPJUHHUSA-N 1 0 307.354 0.592 20 5 DCBDRO COC(=O)c1ccnc(N2CCC([NH3+])(CO)CC2)c1[N+](=O)[O-] ZINC000856731752 670846365 /nfs/dbraw/zinc/84/63/65/670846365.db2.gz WEMNOSJZZHJJFM-UHFFFAOYSA-N 1 0 310.310 0.066 20 5 DCBDRO O=C(Cn1cc([N+](=O)[O-])ccc1=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818611414 671036292 /nfs/dbraw/zinc/03/62/92/671036292.db2.gz HWFUGTLQXXZYMY-CQSZACIVSA-N 1 0 306.322 0.111 20 5 DCBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCc2nnc3n2CCC3)c1 ZINC000818966783 671081163 /nfs/dbraw/zinc/08/11/63/671081163.db2.gz UDLFBAFNVIKIMI-CYBMUJFWSA-N 1 0 317.349 0.998 20 5 DCBDRO C[S@@](=O)CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000819034926 671087830 /nfs/dbraw/zinc/08/78/30/671087830.db2.gz SKJRXJSBOJBYMW-LJQANCHMSA-N 1 0 320.392 0.337 20 5 DCBDRO C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O ZINC000819190108 671101585 /nfs/dbraw/zinc/10/15/85/671101585.db2.gz DTDGPTQOMMYLRU-JOYOIKCWSA-N 1 0 302.352 0.651 20 5 DCBDRO COC(=O)[C@@]1(OC)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859556930 671125661 /nfs/dbraw/zinc/12/56/61/671125661.db2.gz FODLTOWZEXPOGU-DZGCQCFKSA-N 1 0 324.333 0.892 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000822454720 671324228 /nfs/dbraw/zinc/32/42/28/671324228.db2.gz VFFFSPNFRZXPSO-GFCCVEGCSA-N 1 0 309.370 0.948 20 5 DCBDRO Cc1nc([N+](=O)[O-])c(-c2noc(C[C@@H]3COCC[NH2+]3)n2)n1C ZINC000823094386 671368862 /nfs/dbraw/zinc/36/88/62/671368862.db2.gz QRUIRCROZLQGQY-MRVPVSSYSA-N 1 0 308.298 0.218 20 5 DCBDRO CC(C)(CCC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[N+](=O)[O-] ZINC000833574466 671748158 /nfs/dbraw/zinc/74/81/58/671748158.db2.gz DSHOBBNJWHKXNF-LBPRGKRZSA-N 1 0 301.387 0.785 20 5 DCBDRO CC[NH2+]CCNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000841167308 671917687 /nfs/dbraw/zinc/91/76/87/671917687.db2.gz VMUOYPAJVJEEIO-UHFFFAOYSA-N 1 0 314.729 0.912 20 5 DCBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000841174092 671918376 /nfs/dbraw/zinc/91/83/76/671918376.db2.gz TVSLDCWUSMBOFK-QMMMGPOBSA-N 1 0 324.312 0.801 20 5 DCBDRO C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000841198143 671919312 /nfs/dbraw/zinc/91/93/12/671919312.db2.gz ZOLGBGNIUABOHQ-ZETCQYMHSA-N 1 0 314.729 0.898 20 5 DCBDRO [NH3+]CCN(CCO)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000841854580 671960588 /nfs/dbraw/zinc/96/05/88/671960588.db2.gz CHILJTGLZJEKHQ-UHFFFAOYSA-N 1 0 316.745 0.711 20 5 DCBDRO CCOC(=O)C[C@H](CO)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000843074679 672059614 /nfs/dbraw/zinc/05/96/14/672059614.db2.gz HTKFBHPDRFZSQP-YPMHNXCESA-N 1 0 312.322 0.532 20 5 DCBDRO Cc1cccc([C@H](O)C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000843090326 672060317 /nfs/dbraw/zinc/06/03/17/672060317.db2.gz WSYILIXDAWKRIT-LSDHHAIUSA-N 1 0 320.349 0.784 20 5 DCBDRO Cc1cc(C(=O)N(C)CCN2CC[NH2+]CC2)c(N)c([N+](=O)[O-])c1 ZINC000843337819 672084275 /nfs/dbraw/zinc/08/42/75/672084275.db2.gz BJWYACUWAAZJEV-UHFFFAOYSA-N 1 0 321.381 0.463 20 5 DCBDRO C[NH+](C)CCN1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1=O ZINC000844376328 672178490 /nfs/dbraw/zinc/17/84/90/672178490.db2.gz RPEIPYYPQLQAAB-UHFFFAOYSA-N 1 0 324.356 0.940 20 5 DCBDRO Cc1nc([N+](=O)[O-])c(-c2noc([C@@H](N)CC[NH+](C)C)n2)n1C ZINC000844915013 672209486 /nfs/dbraw/zinc/20/94/86/672209486.db2.gz BCNIVCFPLITPHK-QMMMGPOBSA-N 1 0 309.330 0.638 20 5 DCBDRO Cc1ncccc1C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020139063 693709730 /nfs/dbraw/zinc/70/97/30/693709730.db2.gz PACSDOPVIYHCPF-AAVRWANBSA-N 1 0 304.350 0.792 20 5 DCBDRO C[NH+](C)C1(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC001561692616 1159869244 /nfs/dbraw/zinc/86/92/44/1159869244.db2.gz DTOYODGEHOXMDM-UHFFFAOYSA-N 1 0 300.340 0.362 20 5 DCBDRO CN(C)c1ccc([N+](=O)[O-])cc1C(=O)NC[C@]1(C)C[NH2+]CCO1 ZINC001578426987 1165012897 /nfs/dbraw/zinc/01/28/97/1165012897.db2.gz KONCGARBPRQGSP-HNNXBMFYSA-N 1 0 322.365 0.769 20 5 DCBDRO CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001578435111 1165015536 /nfs/dbraw/zinc/01/55/36/1165015536.db2.gz UYZWHKXWKCUABK-VIKVFOODSA-N 1 0 316.361 0.634 20 5 DCBDRO Cc1cc(OCC(=O)NC[C@@H]2C[NH2+]CCO2)ccc1[N+](=O)[O-] ZINC001579639846 1165367982 /nfs/dbraw/zinc/36/79/82/1165367982.db2.gz VHCRPNHKPVGSGF-LBPRGKRZSA-N 1 0 309.322 0.387 20 5 DCBDRO Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CC[C@@H]([NH3+])C2)cc1F ZINC001579642456 1165369806 /nfs/dbraw/zinc/36/98/06/1165369806.db2.gz HBINSBAFHSAFBH-MRVPVSSYSA-N 1 0 303.315 0.764 20 5 DCBDRO NC[C@@H]([NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC001580230061 1165543171 /nfs/dbraw/zinc/54/31/71/1165543171.db2.gz XWKVGZXWVWQAKX-ZIAGYGMSSA-N 1 0 311.386 0.649 20 5 DCBDRO O=C(CC1(O)CC[NH2+]CC1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC001580501297 1165624459 /nfs/dbraw/zinc/62/44/59/1165624459.db2.gz QRAAWUIFYFTQOT-UHFFFAOYSA-N 1 0 305.334 0.989 20 5 DCBDRO O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580580863 1165643671 /nfs/dbraw/zinc/64/36/71/1165643671.db2.gz DVXBXKYURUWZLB-WXHSDQCUSA-N 1 0 315.333 0.954 20 5 DCBDRO O=C(NC[C@H]1COCC[NH2+]1)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC001580666697 1165679864 /nfs/dbraw/zinc/67/98/64/1165679864.db2.gz XNGYIKOIOUIVSP-JTQLQIEISA-N 1 0 304.306 0.794 20 5 DCBDRO O=C(NCc1cccc([N+](=O)[O-])c1)NC[C@H]1CCC2(C[NH2+]C2)O1 ZINC001580718702 1165697640 /nfs/dbraw/zinc/69/76/40/1165697640.db2.gz LHGXLLIAMDTONQ-CYBMUJFWSA-N 1 0 320.349 0.915 20 5 DCBDRO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC001580755174 1165710192 /nfs/dbraw/zinc/71/01/92/1165710192.db2.gz IGXVRZGOUONTGB-GIFSMMMISA-N 1 0 316.317 0.422 20 5 DCBDRO C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1N)[C@@H]1C[N@H+](C)CCN1C ZINC001586538794 1166495318 /nfs/dbraw/zinc/49/53/18/1166495318.db2.gz QHPSFCQKUSJSPJ-HZMBPMFUSA-N 1 0 321.381 0.541 20 5 DCBDRO CC[N@@H+]1CC[C@@H]1CNc1ncc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001590731543 1166990160 /nfs/dbraw/zinc/99/01/60/1166990160.db2.gz WQXRREQGDXEDOR-SECBINFHSA-N 1 0 304.314 0.676 20 5 DCBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(N)c2-c2nn[nH]n2)C1 ZINC001591011180 1167076547 /nfs/dbraw/zinc/07/65/47/1167076547.db2.gz YXBPGMMIJDQVPN-UHFFFAOYSA-N 1 0 304.314 0.107 20 5 DCBDRO C[NH+](C)C[C@H](CO)Nc1cc(-c2nn[nH]n2)sc1[N+](=O)[O-] ZINC001591012450 1167079690 /nfs/dbraw/zinc/07/96/90/1167079690.db2.gz QGQXHUYUBYMSGH-ZCFIWIBFSA-N 1 0 313.343 0.171 20 5 DCBDRO C[N@@H+]1CC[C@@H]2CN(c3cccc(-c4nn[nH]n4)c3[N+](=O)[O-])C[C@@H]21 ZINC001591196360 1167145060 /nfs/dbraw/zinc/14/50/60/1167145060.db2.gz VVNWRFYKIOVYBE-SKDRFNHKSA-N 1 0 315.337 0.915 20 5 DCBDRO O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC001593480546 1167866197 /nfs/dbraw/zinc/86/61/97/1167866197.db2.gz BNGOCMDEKJEDDN-OTYXRUKQSA-N 1 0 316.321 0.589 20 5 DCBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ncc([N+](=O)[O-])cc3-c3nn[nH]n3)C[C@H]21 ZINC001604694845 1169657828 /nfs/dbraw/zinc/65/78/28/1169657828.db2.gz JGFKWBPHRWRIJC-URLYPYJESA-N 1 0 316.325 0.166 20 5 DCBDRO O=[N+]([O-])c1cc(-c2nn[nH]n2)cnc1NCC[NH+]1CCCC1 ZINC001607080917 1170384329 /nfs/dbraw/zinc/38/43/29/1170384329.db2.gz UTACJILQCGZWDU-UHFFFAOYSA-N 1 0 304.314 0.678 20 5 DCBDRO COC(=O)Cc1ccc(NCC[N@H+](C)CCO)c([N+](=O)[O-])c1 ZINC001612894274 1171364268 /nfs/dbraw/zinc/36/42/68/1171364268.db2.gz OPZOTCPHOLSPRR-UHFFFAOYSA-N 1 0 311.338 0.646 20 5 DCBDRO C[C@H](NC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1)[C@H]1C[N@H+](C)CCN1C ZINC001618099952 1171394464 /nfs/dbraw/zinc/39/44/64/1171394464.db2.gz QPGQJCJKHUVBPZ-JOYOIKCWSA-N 1 0 323.353 0.060 20 5 DCBDRO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC001620524217 1171403950 /nfs/dbraw/zinc/40/39/50/1171403950.db2.gz OOSPKDDZVODKCH-QPSCCSFWSA-N 1 0 324.381 0.778 20 5 DCBDRO COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC001621538533 1171411604 /nfs/dbraw/zinc/41/16/04/1171411604.db2.gz LYSNVILCHMADOZ-MFKMUULPSA-N 1 0 324.333 0.959 20 5 DCBDRO COC(=O)COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC001621538531 1171412079 /nfs/dbraw/zinc/41/20/79/1171412079.db2.gz LYSNVILCHMADOZ-GWCFXTLKSA-N 1 0 324.333 0.959 20 5 DCBDRO Nc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC001623852843 1171446217 /nfs/dbraw/zinc/44/62/17/1171446217.db2.gz KNYGSKHKZCIJRP-NSHDSACASA-N 1 0 322.365 0.754 20 5 DCBDRO CC[NH+]1CCC(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1 ZINC001626587138 1171484613 /nfs/dbraw/zinc/48/46/13/1171484613.db2.gz NEOXQJREDPGPFH-UHFFFAOYSA-N 1 0 322.365 0.605 20 5 DCBDRO C[NH+](C)CCOCCNC(=O)c1[nH]nc([N+](=O)[O-])c1Cl ZINC001631921650 1171606357 /nfs/dbraw/zinc/60/63/57/1171606357.db2.gz CHWWUWFIBNSWRR-UHFFFAOYSA-N 1 0 305.722 0.279 20 5 DCBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC001643421487 1171977091 /nfs/dbraw/zinc/97/70/91/1171977091.db2.gz HVCVDRJSTFVVND-YPMHNXCESA-N 1 0 311.338 0.134 20 5 DCBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001643695804 1171983158 /nfs/dbraw/zinc/98/31/58/1171983158.db2.gz QLEHSURRNOUNMO-WDEREUQCSA-N 1 0 309.326 0.530 20 5 DCBDRO C[N@@H+]1CC[C@@H]1CNC(=O)CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC001645082125 1172028094 /nfs/dbraw/zinc/02/80/94/1172028094.db2.gz LCJFRMUPASAAOG-GFCCVEGCSA-N 1 0 321.337 0.537 20 5 DCBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC001645374732 1172040461 /nfs/dbraw/zinc/04/04/61/1172040461.db2.gz DPFDJCHUBCYYPA-NSHDSACASA-N 1 0 308.338 0.906 20 5 DCBDRO Nc1cc(F)c([N+](=O)[O-])cc1C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001647772776 1173055845 /nfs/dbraw/zinc/05/58/45/1173055845.db2.gz GETYYZFSFUJGOF-MRVPVSSYSA-N 1 0 324.312 0.519 20 5 DCBDRO O=c1[nH]ccc(N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)c1[N+](=O)[O-] ZINC001651495592 1173750232 /nfs/dbraw/zinc/75/02/32/1173750232.db2.gz XATGLNMDMTUIRQ-QWRGUYRKSA-N 1 0 308.338 0.731 20 5 DCBDRO NC(=O)[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC001652836544 1173777569 /nfs/dbraw/zinc/77/75/69/1173777569.db2.gz IAERJIYYIIEHFU-UMSPYCQHSA-N 1 0 319.365 0.812 20 5 DCBDRO CO[C@@H]1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1(C)C ZINC001653654231 1173792523 /nfs/dbraw/zinc/79/25/23/1173792523.db2.gz VVOFGYJLIHEXRA-QWHCGFSZSA-N 1 0 312.370 0.899 20 5 DCBDRO C[C@](CO)([NH2+]C[C@@H](O)C1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC001655317965 1173817973 /nfs/dbraw/zinc/81/79/73/1173817973.db2.gz MIZSYNYHNHPXQS-ZIAGYGMSSA-N 1 0 310.350 0.668 20 5 DCBDRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)[C@@H]1O ZINC001659755518 1173935034 /nfs/dbraw/zinc/93/50/34/1173935034.db2.gz QWIPLYCNVAJINT-RQJABVFESA-N 1 0 324.381 0.634 20 5 DCBDRO NC(=O)CC1([NH2+]CCn2cc([N+](=O)[O-])ccc2=O)CCCCC1 ZINC001660552852 1174013361 /nfs/dbraw/zinc/01/33/61/1174013361.db2.gz PJLPJYLBFZZYBY-UHFFFAOYSA-N 1 0 322.365 0.924 20 5 DCBDRO Nc1ncccc1C[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001660657508 1174030340 /nfs/dbraw/zinc/03/03/40/1174030340.db2.gz PUTOVZGRYRJNSE-ZIAGYGMSSA-N 1 0 318.333 0.756 20 5 DCBDRO C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCCn3cc([N+](=O)[O-])cn3)[C@H]2C1 ZINC001685506131 1176035349 /nfs/dbraw/zinc/03/53/49/1176035349.db2.gz SODLVJZHDITZOQ-WCFLWFBJSA-N 1 0 322.369 0.431 20 5 DCBDRO O=C(NCC[N@@H+](CCO)C1CCCCCC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001699685438 1178249061 /nfs/dbraw/zinc/24/90/61/1178249061.db2.gz RQSPMCRXPXBVBK-ZIAGYGMSSA-N 1 0 313.398 0.785 20 5 DCBDRO Cc1ncoc1C(=O)N(C)CC[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC001714696667 1181486678 /nfs/dbraw/zinc/48/66/78/1181486678.db2.gz JIXYNJQIKQGNIM-UHFFFAOYSA-N 1 0 322.325 0.487 20 5 DCBDRO O=[N+]([O-])c1ccn(CCN2CC[NH+](C3CCOCC3)CC2)n1 ZINC000176288718 1184157094 /nfs/dbraw/zinc/15/70/94/1184157094.db2.gz DRJRCJJCLGSBRB-UHFFFAOYSA-N 1 0 309.370 0.588 20 5 DCBDRO Cc1cccnc1C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001731239682 1185204644 /nfs/dbraw/zinc/20/46/44/1185204644.db2.gz FAPAMIMGWWSPPG-TZMCWYRMSA-N 1 0 306.366 0.993 20 5 DCBDRO CC(C)=CC[NH+]1CCN(CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1 ZINC001731365928 1185299572 /nfs/dbraw/zinc/29/95/72/1185299572.db2.gz RKVNWBZFWSBUMZ-ZIAGYGMSSA-N 1 0 310.398 0.352 20 5 DCBDRO CC[N@H+](CCNC(=O)c1cn[nH]n1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753084204 1188494543 /nfs/dbraw/zinc/49/45/43/1188494543.db2.gz HFYMPYVQXJEYCG-UHFFFAOYSA-N 1 0 318.337 0.965 20 5 DCBDRO