smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC000188225073 200211829 /nfs/dbraw/zinc/21/18/29/200211829.db2.gz QXCOYSGPEORWAY-DGCLKSJQSA-N 1 1 300.362 3.413 10 5 DGBEMO CC(C)COC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000103469321 284031576 /nfs/dbraw/zinc/03/15/76/284031576.db2.gz QYCPWKKFUBVRMS-UHFFFAOYSA-N 1 1 310.369 3.371 10 5 DGBEMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@H]1c1cccc(F)c1 ZINC000246287805 432117328 /nfs/dbraw/zinc/11/73/28/432117328.db2.gz XOHXFHQNNPHPAQ-BLLLJJGKSA-N 1 1 318.352 3.014 10 5 DGBEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000470942586 244197323 /nfs/dbraw/zinc/19/73/23/244197323.db2.gz CRYJEJYHQFVUMX-MFKMUULPSA-N 1 1 318.295 3.246 10 5 DGBEMO CC(C)[N@H+]1CC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000264944205 204291369 /nfs/dbraw/zinc/29/13/69/204291369.db2.gz SVFHILOJBOGVGM-LBPRGKRZSA-N 1 1 300.362 3.038 10 5 DGBEMO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC[N@H+]1C ZINC000266239359 205208140 /nfs/dbraw/zinc/20/81/40/205208140.db2.gz KYHZLIAIZDVQSD-STQMWFEESA-N 1 1 314.389 3.062 10 5 DGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000269055366 207205341 /nfs/dbraw/zinc/20/53/41/207205341.db2.gz SCHBZGAQHGMPPT-CPUCHLNUSA-N 1 1 304.390 3.283 10 5 DGBEMO CC(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000069000796 400303821 /nfs/dbraw/zinc/30/38/21/400303821.db2.gz JRSVIRKDNCHYLW-GFCCVEGCSA-N 1 1 300.362 3.038 10 5 DGBEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000247193049 432211941 /nfs/dbraw/zinc/21/19/41/432211941.db2.gz WQJBPLXMJGRTAZ-CXAGYDPISA-N 1 1 314.389 3.325 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247962769 432257017 /nfs/dbraw/zinc/25/70/17/432257017.db2.gz GKGWBQGWMJORQE-UNEWFSDZSA-N 1 1 303.406 3.072 10 5 DGBEMO C[C@@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000154963537 274292787 /nfs/dbraw/zinc/29/27/87/274292787.db2.gz VONPKIIVCPWDID-LLVKDONJSA-N 1 1 324.812 3.096 10 5 DGBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000175330517 276183246 /nfs/dbraw/zinc/18/32/46/276183246.db2.gz WUFRNBNPZCRTOR-AWEZNQCLSA-N 1 1 311.813 3.164 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248170119 278310695 /nfs/dbraw/zinc/31/06/95/278310695.db2.gz UPDIYJGJABLBEB-KMFMINBZSA-N 1 1 304.390 3.283 10 5 DGBEMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072897664 431356367 /nfs/dbraw/zinc/35/63/67/431356367.db2.gz XIAASLOYXKCVSU-NEPJUHHUSA-N 1 1 316.361 3.265 10 5 DGBEMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000076149901 431532328 /nfs/dbraw/zinc/53/23/28/431532328.db2.gz ROHCFTSXYNVCFH-NWDGAFQWSA-N 1 1 316.361 3.265 10 5 DGBEMO CC1(C)CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000077382638 431589884 /nfs/dbraw/zinc/58/98/84/431589884.db2.gz ZLAAHPWQLYLUAP-UHFFFAOYSA-N 1 1 311.769 3.061 10 5 DGBEMO CC1(C)CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000077382638 431589888 /nfs/dbraw/zinc/58/98/88/431589888.db2.gz ZLAAHPWQLYLUAP-UHFFFAOYSA-N 1 1 311.769 3.061 10 5 DGBEMO CC1(C)CCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000077383046 431592353 /nfs/dbraw/zinc/59/23/53/431592353.db2.gz WNJKXIQVBGGERX-UHFFFAOYSA-N 1 1 302.334 3.019 10 5 DGBEMO CC[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918471 431897371 /nfs/dbraw/zinc/89/73/71/431897371.db2.gz NHSLSPWJJUZHFI-RRQGHBQHSA-N 1 1 305.422 3.364 10 5 DGBEMO CC[C@H](N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000090918471 431897372 /nfs/dbraw/zinc/89/73/72/431897372.db2.gz NHSLSPWJJUZHFI-RRQGHBQHSA-N 1 1 305.422 3.364 10 5 DGBEMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@H]1CCCO1 ZINC000128065523 431987411 /nfs/dbraw/zinc/98/74/11/431987411.db2.gz DDMOPZAHKQCAPB-OAHLLOKOSA-N 1 1 316.357 3.466 10 5 DGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000248023411 432262252 /nfs/dbraw/zinc/26/22/52/432262252.db2.gz OERRFIXYULUQPN-BBRMVZONSA-N 1 1 324.808 3.375 10 5 DGBEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000193637799 432486593 /nfs/dbraw/zinc/48/65/93/432486593.db2.gz KKCCSAFLROMCIQ-RYUDHWBXSA-N 1 1 317.345 3.174 10 5 DGBEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000193637786 432487092 /nfs/dbraw/zinc/48/70/92/432487092.db2.gz KKCCSAFLROMCIQ-NEPJUHHUSA-N 1 1 317.345 3.174 10 5 DGBEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000193638514 432487387 /nfs/dbraw/zinc/48/73/87/432487387.db2.gz BLLFTGMQVLUCCC-LBPRGKRZSA-N 1 1 317.345 3.094 10 5 DGBEMO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC[N@H+]1C ZINC000266239357 432756450 /nfs/dbraw/zinc/75/64/50/432756450.db2.gz KYHZLIAIZDVQSD-QWHCGFSZSA-N 1 1 314.389 3.062 10 5 DGBEMO COc1cnccc1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000189555223 432799518 /nfs/dbraw/zinc/79/95/18/432799518.db2.gz FZBAORZNIDEWAX-LBPRGKRZSA-N 1 1 301.346 3.158 10 5 DGBEMO O=C(C[N@H+]1CCC[C@@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000245965430 432873525 /nfs/dbraw/zinc/87/35/25/432873525.db2.gz YXRYJSJXYABHKA-DZGCQCFKSA-N 1 1 317.389 3.188 10 5 DGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000408172480 434547104 /nfs/dbraw/zinc/54/71/04/434547104.db2.gz WWUXAULGORQIPP-CABCVRRESA-N 1 1 318.421 3.058 10 5 DGBEMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000537962985 435474537 /nfs/dbraw/zinc/47/45/37/435474537.db2.gz TUHWNLGYGVSSED-YPMHNXCESA-N 1 1 302.378 3.217 10 5 DGBEMO C[C@@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000491053593 435698382 /nfs/dbraw/zinc/69/83/82/435698382.db2.gz OITPCFMKZYJOLU-KBXCAEBGSA-N 1 1 313.401 3.224 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000583097228 324313289 /nfs/dbraw/zinc/31/32/89/324313289.db2.gz XZJMNILVHKMEPU-OIOXUXFSSA-N 1 1 312.316 3.312 10 5 DGBEMO CC(C)C[N@H+]1CCCC[C@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302069761 527970788 /nfs/dbraw/zinc/97/07/88/527970788.db2.gz VKPPWMHKLUHLDJ-HNNXBMFYSA-N 1 1 321.421 3.010 10 5 DGBEMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124800889 623236936 /nfs/dbraw/zinc/23/69/36/623236936.db2.gz BTNFKGWZJFFALV-SWLSCSKDSA-N 1 1 306.362 3.073 10 5 DGBEMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124800889 623236942 /nfs/dbraw/zinc/23/69/42/623236942.db2.gz BTNFKGWZJFFALV-SWLSCSKDSA-N 1 1 306.362 3.073 10 5 DGBEMO C[N@@H+](Cc1ccc(F)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000042911577 661842493 /nfs/dbraw/zinc/84/24/93/661842493.db2.gz ZLCZUNUKCPUCRN-UHFFFAOYSA-N 1 1 314.320 3.173 10 5 DGBEMO C[N@H+](Cc1ccc(F)cc1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000042911577 661842495 /nfs/dbraw/zinc/84/24/95/661842495.db2.gz ZLCZUNUKCPUCRN-UHFFFAOYSA-N 1 1 314.320 3.173 10 5 DGBEMO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000106867095 432022808 /nfs/dbraw/zinc/02/28/08/432022808.db2.gz KYSBPFUFFGZZIQ-OAHLLOKOSA-N 1 1 322.405 3.385 10 5 DGBEMO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000106867093 432023458 /nfs/dbraw/zinc/02/34/58/432023458.db2.gz KYSBPFUFFGZZIQ-HNNXBMFYSA-N 1 1 322.405 3.385 10 5 DGBEMO CC(C)(C)[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543469 241164628 /nfs/dbraw/zinc/16/46/28/241164628.db2.gz BWSSDQXSQIUCIO-GOEBONIOSA-N 1 1 306.406 3.181 10 5 DGBEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000470954854 244199955 /nfs/dbraw/zinc/19/99/55/244199955.db2.gz CWOJUDGWRLVUBD-GHMZBOCLSA-N 1 1 318.295 3.246 10 5 DGBEMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)C1 ZINC000246590969 432146701 /nfs/dbraw/zinc/14/67/01/432146701.db2.gz GROMNASWMZYMFM-STQMWFEESA-N 1 1 320.389 3.329 10 5 DGBEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000105896466 194162266 /nfs/dbraw/zinc/16/22/66/194162266.db2.gz KEIYHVHDXWHPOD-INIZCTEOSA-N 1 1 314.389 3.191 10 5 DGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000056494635 184013577 /nfs/dbraw/zinc/01/35/77/184013577.db2.gz XOOWINUPVVITSH-IRXDYDNUSA-N 1 1 320.389 3.007 10 5 DGBEMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)Cc1cc(C)[nH]n1 ZINC000468738314 533384718 /nfs/dbraw/zinc/38/47/18/533384718.db2.gz HAEUOKOQGMIJLP-OTAKNEKHSA-N 1 1 314.389 3.250 10 5 DGBEMO C[C@H]1C[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000611518053 400414004 /nfs/dbraw/zinc/41/40/04/400414004.db2.gz FDITVEIGXRUBFP-UONOGXRCSA-N 1 1 304.390 3.374 10 5 DGBEMO CC[N@H+](CCc1nccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000159263088 400729055 /nfs/dbraw/zinc/72/90/55/400729055.db2.gz JXPAVVIGODHRAJ-UHFFFAOYSA-N 1 1 309.366 3.255 10 5 DGBEMO CC[N@@H+](CCc1nccs1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000159263088 400729057 /nfs/dbraw/zinc/72/90/57/400729057.db2.gz JXPAVVIGODHRAJ-UHFFFAOYSA-N 1 1 309.366 3.255 10 5 DGBEMO Cc1cc(NC[C@H]2CCC[N@@H+]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359913036 286386945 /nfs/dbraw/zinc/38/69/45/286386945.db2.gz PTRFFXTXWMUKSS-SNVBAGLBSA-N 1 1 317.311 3.428 10 5 DGBEMO O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCCC34CCC4)n2)cc1 ZINC000365639522 287156948 /nfs/dbraw/zinc/15/69/48/287156948.db2.gz QUQWYJBRUDBCDF-UHFFFAOYSA-N 1 1 314.345 3.163 10 5 DGBEMO Cc1cn2c([nH+]1)CC[C@H](Nc1c(C)cc([N+](=O)[O-])cc1Cl)C2 ZINC000302815326 274823863 /nfs/dbraw/zinc/82/38/63/274823863.db2.gz IBWCNRHRFYHOQQ-NSHDSACASA-N 1 1 320.780 3.488 10 5 DGBEMO C[C@H]1CC[C@H](C)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076150425 431531220 /nfs/dbraw/zinc/53/12/20/431531220.db2.gz DYTABXKOOGZTOM-RYUDHWBXSA-N 1 1 316.361 3.265 10 5 DGBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000116292266 431499773 /nfs/dbraw/zinc/49/97/73/431499773.db2.gz QZPKNKXOZYAEOE-OAHLLOKOSA-N 1 1 302.330 3.404 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC1(C)C ZINC000077382796 431590433 /nfs/dbraw/zinc/59/04/33/431590433.db2.gz LDISXVNBLKMEBM-UHFFFAOYSA-N 1 1 305.378 3.106 10 5 DGBEMO C[N@H+]1CC[C@]2(OC(=O)c3ccc([N+](=O)[O-])cc3)CCCC[C@H]2C1 ZINC000248023361 432261263 /nfs/dbraw/zinc/26/12/63/432261263.db2.gz KCSJHKGWIDSOMK-WMLDXEAASA-N 1 1 318.373 3.016 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152503775 432337630 /nfs/dbraw/zinc/33/76/30/432337630.db2.gz UBEBNUSDLHJSBW-DYVFJYSZSA-N 1 1 313.357 3.204 10 5 DGBEMO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187050340 432642781 /nfs/dbraw/zinc/64/27/81/432642781.db2.gz FIXGYPNJPMIVPX-RYUDHWBXSA-N 1 1 301.346 3.410 10 5 DGBEMO Cc1ccc([C@H]2C[N@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000159014148 432665875 /nfs/dbraw/zinc/66/58/75/432665875.db2.gz LGMWLLJFGBAXLY-QGZVFWFLSA-N 1 1 316.357 3.112 10 5 DGBEMO Cc1ccc([C@H]2C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)CCO2)o1 ZINC000159014148 432665880 /nfs/dbraw/zinc/66/58/80/432665880.db2.gz LGMWLLJFGBAXLY-QGZVFWFLSA-N 1 1 316.357 3.112 10 5 DGBEMO CCCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245201311 432824612 /nfs/dbraw/zinc/82/46/12/432824612.db2.gz PWJVHMJNFXCKKB-UKRRQHHQSA-N 1 1 319.405 3.037 10 5 DGBEMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245201311 432824615 /nfs/dbraw/zinc/82/46/15/432824615.db2.gz PWJVHMJNFXCKKB-UKRRQHHQSA-N 1 1 319.405 3.037 10 5 DGBEMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245868484 432866692 /nfs/dbraw/zinc/86/66/92/432866692.db2.gz LSCRTQTYMICRCO-GJZGRUSLSA-N 1 1 322.430 3.081 10 5 DGBEMO CC(=O)c1ccc(NC[C@@H]2CCC[N@@H+]2CC(C)C)c([N+](=O)[O-])c1 ZINC000301844385 433753106 /nfs/dbraw/zinc/75/31/06/433753106.db2.gz LNNCALLMSTVWRD-HNNXBMFYSA-N 1 1 319.405 3.330 10 5 DGBEMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157011899 527401314 /nfs/dbraw/zinc/40/13/14/527401314.db2.gz DJDSVZRUNDOSJT-CYBMUJFWSA-N 1 1 303.387 3.431 10 5 DGBEMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124801168 623236702 /nfs/dbraw/zinc/23/67/02/623236702.db2.gz BTNFKGWZJFFALV-WFASDCNBSA-N 1 1 306.362 3.073 10 5 DGBEMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000124801168 623236706 /nfs/dbraw/zinc/23/67/06/623236706.db2.gz BTNFKGWZJFFALV-WFASDCNBSA-N 1 1 306.362 3.073 10 5 DGBEMO C[C@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128760863 625221373 /nfs/dbraw/zinc/22/13/73/625221373.db2.gz DMNZUSIAUQPOAI-RYUDHWBXSA-N 1 1 323.368 3.183 10 5 DGBEMO CC[N@@H+](Cn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCCC1 ZINC000124328141 656234832 /nfs/dbraw/zinc/23/48/32/656234832.db2.gz YAOUJZTWXNPMFS-UHFFFAOYSA-N 1 1 319.361 3.115 10 5 DGBEMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000067132595 432026997 /nfs/dbraw/zinc/02/69/97/432026997.db2.gz YXRYJSJXYABHKA-HIFRSBDPSA-N 1 1 317.389 3.188 10 5 DGBEMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000081570646 192293216 /nfs/dbraw/zinc/29/32/16/192293216.db2.gz 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317.345 3.174 10 5 DGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191271050 432242849 /nfs/dbraw/zinc/24/28/49/432242849.db2.gz JVXGBSFHSYSRPU-STQMWFEESA-N 1 1 322.405 3.116 10 5 DGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247977815 432258661 /nfs/dbraw/zinc/25/86/61/432258661.db2.gz LNRQPIAFLUPQAO-XJKSGUPXSA-N 1 1 324.808 3.375 10 5 DGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247977815 432258657 /nfs/dbraw/zinc/25/86/57/432258657.db2.gz LNRQPIAFLUPQAO-XJKSGUPXSA-N 1 1 324.808 3.375 10 5 DGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CCCCC1(F)F)CC2 ZINC000408456610 280382470 /nfs/dbraw/zinc/38/24/70/280382470.db2.gz JVZJTTVMBUJKQR-GFCCVEGCSA-N 1 1 311.332 3.173 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000182878785 281019697 /nfs/dbraw/zinc/01/96/97/281019697.db2.gz DADLMKPODSRQBQ-GDBMZVCRSA-N 1 1 303.406 3.134 10 5 DGBEMO 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Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000193637812 432485792 /nfs/dbraw/zinc/48/57/92/432485792.db2.gz KKCCSAFLROMCIQ-VXGBXAGGSA-N 1 1 317.345 3.174 10 5 DGBEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000193642968 432488211 /nfs/dbraw/zinc/48/82/11/432488211.db2.gz WRYUYRGGYBWIOL-NWDGAFQWSA-N 1 1 317.345 3.174 10 5 DGBEMO C[C@H]1C[C@@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000154016543 432463829 /nfs/dbraw/zinc/46/38/29/432463829.db2.gz ATSNPRRHYOXJGS-AAEUAGOBSA-N 1 1 311.813 3.163 10 5 DGBEMO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187050358 432642878 /nfs/dbraw/zinc/64/28/78/432642878.db2.gz FIXGYPNJPMIVPX-NEPJUHHUSA-N 1 1 301.346 3.410 10 5 DGBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000178323301 432720582 /nfs/dbraw/zinc/72/05/82/432720582.db2.gz AOIOQJLQIDMPOY-INIZCTEOSA-N 1 1 314.389 3.073 10 5 DGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178508592 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302.296 3.410 10 5 DGBEMO Cc1[nH+]ccn1CCCOc1ccc([N+](=O)[O-])c2ncccc12 ZINC000471869641 244261672 /nfs/dbraw/zinc/26/16/72/244261672.db2.gz KZOYUJDMAQZBRO-UHFFFAOYSA-N 1 1 312.329 3.117 10 5 DGBEMO CC(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000266409276 205326361 /nfs/dbraw/zinc/32/63/61/205326361.db2.gz QLXSGBOOFPQYLJ-LBPRGKRZSA-N 1 1 300.362 3.038 10 5 DGBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000105894950 194160809 /nfs/dbraw/zinc/16/08/09/194160809.db2.gz XTTCYKXZIFEQIE-MRXNPFEDSA-N 1 1 314.389 3.282 10 5 DGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000105896454 194162417 /nfs/dbraw/zinc/16/24/17/194162417.db2.gz KDDNDPHHZIJRFO-MRXNPFEDSA-N 1 1 314.389 3.191 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158575092 197284657 /nfs/dbraw/zinc/28/46/57/197284657.db2.gz GKGWBQGWMJORQE-FRFSOERESA-N 1 1 303.406 3.072 10 5 DGBEMO CC[N@H+]1CCC[C@H]1CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000123378566 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316.361 3.265 10 5 DGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2c2ccco2)cc1 ZINC000116296160 431505192 /nfs/dbraw/zinc/50/51/92/431505192.db2.gz ILDSURFWRRDTIG-OAHLLOKOSA-N 1 1 302.330 3.404 10 5 DGBEMO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000408171461 280398760 /nfs/dbraw/zinc/39/87/60/280398760.db2.gz JYAOXHSLCRAJMZ-UHFFFAOYSA-N 1 1 318.421 3.061 10 5 DGBEMO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C[C@@H]1CCCO1 ZINC000128041283 431986339 /nfs/dbraw/zinc/98/63/39/431986339.db2.gz RGFVSYFMNWFBSQ-ZDUSSCGKSA-N 1 1 316.357 3.466 10 5 DGBEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000183334122 432283865 /nfs/dbraw/zinc/28/38/65/432283865.db2.gz CZEQVPDYGOBHBI-QGZVFWFLSA-N 1 1 314.389 3.245 10 5 DGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)c1 ZINC000271437570 432396035 /nfs/dbraw/zinc/39/60/35/432396035.db2.gz XAYDVPDXZYPUCD-HNNXBMFYSA-N 1 1 300.362 3.077 10 5 DGBEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176262367 432505887 /nfs/dbraw/zinc/50/58/87/432505887.db2.gz XERSWXNIEILRSJ-AWEZNQCLSA-N 1 1 318.377 3.174 10 5 DGBEMO C[C@@H]1C[C@@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000154016457 432464358 /nfs/dbraw/zinc/46/43/58/432464358.db2.gz ATSNPRRHYOXJGS-YPMHNXCESA-N 1 1 311.813 3.163 10 5 DGBEMO C[C@H]1CCC[N@H+]1C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000154896183 432527000 /nfs/dbraw/zinc/52/70/00/432527000.db2.gz AXWQPBQSDJYNSX-LBPRGKRZSA-N 1 1 307.369 3.187 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000157392334 432619570 /nfs/dbraw/zinc/61/95/70/432619570.db2.gz RFRAOCSVOITXAB-HNNXBMFYSA-N 1 1 318.398 3.272 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000157392334 432619575 /nfs/dbraw/zinc/61/95/75/432619575.db2.gz RFRAOCSVOITXAB-HNNXBMFYSA-N 1 1 318.398 3.272 10 5 DGBEMO CC1=CC[N@@H+](CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450438113 434179878 /nfs/dbraw/zinc/17/98/78/434179878.db2.gz KSCWWLBUWVJWGZ-UHFFFAOYSA-N 1 1 312.373 3.207 10 5 DGBEMO C[C@H]1C[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000569877733 435569456 /nfs/dbraw/zinc/56/94/56/435569456.db2.gz SOMVOSFXQAPNFP-DZGCQCFKSA-N 1 1 304.390 3.374 10 5 DGBEMO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000067175863 1195603034 /nfs/dbraw/zinc/60/30/34/1195603034.db2.gz KVVHLVWUCHNLKS-HNNXBMFYSA-N 1 1 311.385 3.306 10 5 DGBEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000180124464 199120626 /nfs/dbraw/zinc/12/06/26/199120626.db2.gz MMXDQGIUVROZHV-MRXNPFEDSA-N 1 1 314.389 3.073 10 5 DGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCSC2(CCOCC2)C1 ZINC000186844502 200020654 /nfs/dbraw/zinc/02/06/54/200020654.db2.gz XBNHCOIHGJJJHF-ZDUSSCGKSA-N 1 1 322.430 3.254 10 5 DGBEMO C[C@H]1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H](C)O1 ZINC000126980685 284323190 /nfs/dbraw/zinc/32/31/90/284323190.db2.gz HTLOUZXRWQHCPB-STQMWFEESA-N 1 1 316.357 3.464 10 5 DGBEMO O=[N+]([O-])c1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000246423666 432129116 /nfs/dbraw/zinc/12/91/16/432129116.db2.gz CGSGRTWAFHLXHU-ZFWWWQNUSA-N 1 1 321.446 3.105 10 5 DGBEMO O=[N+]([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000299805334 285075196 /nfs/dbraw/zinc/07/51/96/285075196.db2.gz JGEJNSUYFKBRNM-RDJZCZTQSA-N 1 1 300.333 3.070 10 5 DGBEMO O=[N+]([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000299805334 285075197 /nfs/dbraw/zinc/07/51/97/285075197.db2.gz JGEJNSUYFKBRNM-RDJZCZTQSA-N 1 1 300.333 3.070 10 5 DGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@H]1CCc3ccccc3C1)CC2 ZINC000612469091 400550613 /nfs/dbraw/zinc/55/06/13/400550613.db2.gz KOKNUKJOJGPFJG-AWEZNQCLSA-N 1 1 323.396 3.153 10 5 DGBEMO Cc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000134204270 196369990 /nfs/dbraw/zinc/36/99/90/196369990.db2.gz FUIBMKSJRAORBO-UHFFFAOYSA-N 1 1 317.433 3.211 10 5 DGBEMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000123575987 275039763 /nfs/dbraw/zinc/03/97/63/275039763.db2.gz LSCRTQTYMICRCO-CABCVRRESA-N 1 1 322.430 3.081 10 5 DGBEMO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C[C@@H]1CCCO1 ZINC000128065287 431986085 /nfs/dbraw/zinc/98/60/85/431986085.db2.gz DDMOPZAHKQCAPB-HNNXBMFYSA-N 1 1 316.357 3.466 10 5 DGBEMO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)c1ccc(C)o1 ZINC000183532872 432302325 /nfs/dbraw/zinc/30/23/25/432302325.db2.gz LOKDJOMIALXXQT-HNNXBMFYSA-N 1 1 304.346 3.282 10 5 DGBEMO Cc1c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000128406215 431993672 /nfs/dbraw/zinc/99/36/72/431993672.db2.gz XMIUFFWVESUOHI-NVXWUHKLSA-N 1 1 304.390 3.030 10 5 DGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000249692980 432353823 /nfs/dbraw/zinc/35/38/23/432353823.db2.gz XOOWINUPVVITSH-IAGOWNOFSA-N 1 1 320.389 3.007 10 5 DGBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000193214324 432457484 /nfs/dbraw/zinc/45/74/84/432457484.db2.gz FJQJFHURKRISRL-LLVKDONJSA-N 1 1 318.295 3.248 10 5 DGBEMO Cc1ccc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000154942402 432529636 /nfs/dbraw/zinc/52/96/36/432529636.db2.gz VKTVKZYZQKLLLT-AWEZNQCLSA-N 1 1 303.406 3.356 10 5 DGBEMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000194380997 432546981 /nfs/dbraw/zinc/54/69/81/432546981.db2.gz FAIPFCRKTWRLCU-LBPRGKRZSA-N 1 1 300.362 3.039 10 5 DGBEMO Cc1c([C@H](C)NCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000156621563 432602974 /nfs/dbraw/zinc/60/29/74/432602974.db2.gz NYUMCVGJQVBYQU-ZFWWWQNUSA-N 1 1 305.422 3.428 10 5 DGBEMO Cc1c([C@H](C)NCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000156621563 432602977 /nfs/dbraw/zinc/60/29/77/432602977.db2.gz NYUMCVGJQVBYQU-ZFWWWQNUSA-N 1 1 305.422 3.428 10 5 DGBEMO Cc1ccc([C@H](C)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000156615550 432603232 /nfs/dbraw/zinc/60/32/32/432603232.db2.gz ZQBHXCBOFSCMSY-GJZGRUSLSA-N 1 1 305.422 3.428 10 5 DGBEMO Cc1ccc([C@H](C)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000156615550 432603235 /nfs/dbraw/zinc/60/32/35/432603235.db2.gz ZQBHXCBOFSCMSY-GJZGRUSLSA-N 1 1 305.422 3.428 10 5 DGBEMO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450435242 434180996 /nfs/dbraw/zinc/18/09/96/434180996.db2.gz OUTBXPXGOYYIED-STQMWFEESA-N 1 1 304.394 3.055 10 5 DGBEMO Cc1nn(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000114445197 621007147 /nfs/dbraw/zinc/00/71/47/621007147.db2.gz GNFHTXLLBCCTLI-INIZCTEOSA-N 1 1 304.394 3.188 10 5 DGBEMO Cc1nn(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000114445197 621007150 /nfs/dbraw/zinc/00/71/50/621007150.db2.gz GNFHTXLLBCCTLI-INIZCTEOSA-N 1 1 304.394 3.188 10 5 DGBEMO CC(C)COC1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000054328555 657840322 /nfs/dbraw/zinc/84/03/22/657840322.db2.gz PRPSVCJGKRCQRT-UHFFFAOYSA-N 1 1 310.369 3.371 10 5 DGBEMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1Cl ZINC000046054150 659071088 /nfs/dbraw/zinc/07/10/88/659071088.db2.gz SEVUWBNXLNICOS-INIZCTEOSA-N 1 1 320.776 3.414 10 5 DGBEMO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1Cl ZINC000046054150 659071092 /nfs/dbraw/zinc/07/10/92/659071092.db2.gz SEVUWBNXLNICOS-INIZCTEOSA-N 1 1 320.776 3.414 10 5 DGBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000092628272 662333470 /nfs/dbraw/zinc/33/34/70/662333470.db2.gz HPQHCLXSXOAXGT-ZDUSSCGKSA-N 1 1 311.813 3.164 10 5 DGBEMO Cc1c([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000181282422 199275749 /nfs/dbraw/zinc/27/57/49/199275749.db2.gz LNLBKCSAPGHWJF-NOLJZWGESA-N 1 1 305.422 3.283 10 5 DGBEMO Cc1c([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000181282422 199275751 /nfs/dbraw/zinc/27/57/51/199275751.db2.gz LNLBKCSAPGHWJF-NOLJZWGESA-N 1 1 305.422 3.283 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000072897252 191249589 /nfs/dbraw/zinc/24/95/89/191249589.db2.gz NEZNZFMAZVEVLP-OCCSQVGLSA-N 1 1 319.405 3.352 10 5 DGBEMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072897159 191249633 /nfs/dbraw/zinc/24/96/33/191249633.db2.gz CEWYYWYRDBXMBJ-STQMWFEESA-N 1 1 319.405 3.352 10 5 DGBEMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000470955782 244199697 /nfs/dbraw/zinc/19/96/97/244199697.db2.gz OOYBXVWOCHPONP-GWCFXTLKSA-N 1 1 318.295 3.246 10 5 DGBEMO C[C@@H]1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H](C)O1 ZINC000126980917 284323214 /nfs/dbraw/zinc/32/32/14/284323214.db2.gz HTLOUZXRWQHCPB-CHWSQXEVSA-N 1 1 316.357 3.464 10 5 DGBEMO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)c2ccccc2)c(Cl)c1 ZINC000063001910 184265392 /nfs/dbraw/zinc/26/53/92/184265392.db2.gz KHHBEELOMIIDCO-HNNXBMFYSA-N 1 1 306.749 3.071 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000470181810 533407874 /nfs/dbraw/zinc/40/78/74/533407874.db2.gz HDHZTLGEYDYRCA-SOOMZGJCSA-N 1 1 317.433 3.413 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000470181810 533407891 /nfs/dbraw/zinc/40/78/91/533407891.db2.gz HDHZTLGEYDYRCA-SOOMZGJCSA-N 1 1 317.433 3.413 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000470181810 533407896 /nfs/dbraw/zinc/40/78/96/533407896.db2.gz HDHZTLGEYDYRCA-SOOMZGJCSA-N 1 1 317.433 3.413 10 5 DGBEMO CC(C)(C)Oc1cc(N2CC[N@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000611203256 400358197 /nfs/dbraw/zinc/35/81/97/400358197.db2.gz KHVGXVIJSDTJRR-AWEZNQCLSA-N 1 1 319.405 3.057 10 5 DGBEMO Cc1c([C@@H](C)NCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000247063975 432197959 /nfs/dbraw/zinc/19/79/59/432197959.db2.gz NYUMCVGJQVBYQU-UKRRQHHQSA-N 1 1 305.422 3.428 10 5 DGBEMO Cc1c([C@@H](C)NCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000247063975 432197963 /nfs/dbraw/zinc/19/79/63/432197963.db2.gz NYUMCVGJQVBYQU-UKRRQHHQSA-N 1 1 305.422 3.428 10 5 DGBEMO CC[N@H+]1CCC[C@@H]1CN(C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000123378333 431863327 /nfs/dbraw/zinc/86/33/27/431863327.db2.gz LBEIPCIPWKNQPM-YXMGTMDOSA-N 1 1 303.406 3.024 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000183372734 432286813 /nfs/dbraw/zinc/28/68/13/432286813.db2.gz FSWGKHRUZLXOEC-CQSZACIVSA-N 1 1 320.389 3.067 10 5 DGBEMO Cc1c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000248056080 432266648 /nfs/dbraw/zinc/26/66/48/432266648.db2.gz XMIUFFWVESUOHI-DOTOQJQBSA-N 1 1 304.390 3.030 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248666317 432311801 /nfs/dbraw/zinc/31/18/01/432311801.db2.gz WNZQKYDUOOSPFD-RDJZCZTQSA-N 1 1 304.390 3.030 10 5 DGBEMO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000193638616 432486114 /nfs/dbraw/zinc/48/61/14/432486114.db2.gz FASYREFRIYTVMV-LBPRGKRZSA-N 1 1 317.345 3.094 10 5 DGBEMO CCCn1cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000154286500 432487961 /nfs/dbraw/zinc/48/79/61/432487961.db2.gz FOLNHNFEWBBAPZ-UHFFFAOYSA-N 1 1 314.389 3.366 10 5 DGBEMO CCCn1cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000154286500 432487966 /nfs/dbraw/zinc/48/79/66/432487966.db2.gz FOLNHNFEWBBAPZ-UHFFFAOYSA-N 1 1 314.389 3.366 10 5 DGBEMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187952844 432695318 /nfs/dbraw/zinc/69/53/18/432695318.db2.gz UORSZWWMUBSBOP-NHYWBVRUSA-N 1 1 312.797 3.231 10 5 DGBEMO C[N@@H+]1CCC[C@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228844340 432720109 /nfs/dbraw/zinc/72/01/09/432720109.db2.gz RLSJZASJDQCAJM-QMMMGPOBSA-N 1 1 304.177 3.408 10 5 DGBEMO C[N@H+]1CCC[C@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228844340 432720112 /nfs/dbraw/zinc/72/01/12/432720112.db2.gz RLSJZASJDQCAJM-QMMMGPOBSA-N 1 1 304.177 3.408 10 5 DGBEMO Cc1nccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000507254441 294291995 /nfs/dbraw/zinc/29/19/95/294291995.db2.gz VOOKBMQBSUEYLZ-UHFFFAOYSA-N 1 1 300.362 3.104 10 5 DGBEMO Cc1nccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)n1 ZINC000507254441 294291998 /nfs/dbraw/zinc/29/19/98/294291998.db2.gz VOOKBMQBSUEYLZ-UHFFFAOYSA-N 1 1 300.362 3.104 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000183363456 323335366 /nfs/dbraw/zinc/33/53/66/323335366.db2.gz AFMNMZZJOXJMQP-AEFFLSMTSA-N 1 1 317.433 3.350 10 5 DGBEMO COc1ccc(C[NH2+]Cc2cnc(Cl)s2)cc1[N+](=O)[O-] ZINC000718830839 662262301 /nfs/dbraw/zinc/26/23/01/662262301.db2.gz YLKJAQOPYSSMRU-UHFFFAOYSA-N 1 1 313.766 3.003 10 5 DGBEMO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000131793900 432038691 /nfs/dbraw/zinc/03/86/91/432038691.db2.gz JCCKBLYOVFDCOX-IICXIOTHSA-N 1 1 303.406 3.261 10 5 DGBEMO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000131793900 432038695 /nfs/dbraw/zinc/03/86/95/432038695.db2.gz JCCKBLYOVFDCOX-IICXIOTHSA-N 1 1 303.406 3.261 10 5 DGBEMO C[C@H](NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC000131793900 432038697 /nfs/dbraw/zinc/03/86/97/432038697.db2.gz JCCKBLYOVFDCOX-IICXIOTHSA-N 1 1 303.406 3.261 10 5 DGBEMO C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccc([N+](=O)[O-])cc1 ZINC000131793900 432038701 /nfs/dbraw/zinc/03/87/01/432038701.db2.gz JCCKBLYOVFDCOX-IICXIOTHSA-N 1 1 303.406 3.261 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCCC[C@H]1C ZINC000468637537 244055810 /nfs/dbraw/zinc/05/58/10/244055810.db2.gz JJZGEDSFZHBPNF-RTYFKUQISA-N 1 1 317.433 3.462 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCCC[C@H]1C ZINC000468637537 244055811 /nfs/dbraw/zinc/05/58/11/244055811.db2.gz JJZGEDSFZHBPNF-RTYFKUQISA-N 1 1 317.433 3.462 10 5 DGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000246352592 432121675 /nfs/dbraw/zinc/12/16/75/432121675.db2.gz WFRXJXUIGRLSET-SJLPKXTDSA-N 1 1 312.369 3.118 10 5 DGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000269055363 207204921 /nfs/dbraw/zinc/20/49/21/207204921.db2.gz SCHBZGAQHGMPPT-CKEIUWERSA-N 1 1 304.390 3.283 10 5 DGBEMO Cc1c[nH+]cn1C1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000588037851 400181866 /nfs/dbraw/zinc/18/18/66/400181866.db2.gz JTVMRTSIVLVTBT-UHFFFAOYSA-N 1 1 300.362 3.250 10 5 DGBEMO CCOc1cc(N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000092656916 400190263 /nfs/dbraw/zinc/19/02/63/400190263.db2.gz UUXHIBBOXDTIES-HIFRSBDPSA-N 1 1 321.421 3.160 10 5 DGBEMO CCOc1cc(N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000092656917 400190398 /nfs/dbraw/zinc/19/03/98/400190398.db2.gz UUXHIBBOXDTIES-UKRRQHHQSA-N 1 1 321.421 3.160 10 5 DGBEMO O=[N+]([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000114031924 400385700 /nfs/dbraw/zinc/38/57/00/400385700.db2.gz REGUWZVPUVLAMT-DLBZAZTESA-N 1 1 300.333 3.070 10 5 DGBEMO O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000114031924 400385705 /nfs/dbraw/zinc/38/57/05/400385705.db2.gz REGUWZVPUVLAMT-DLBZAZTESA-N 1 1 300.333 3.070 10 5 DGBEMO COC1=C(c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC[N@@H+](C)C1 ZINC000215975240 400948835 /nfs/dbraw/zinc/94/88/35/400948835.db2.gz HPBOIYVWGLCJBL-UHFFFAOYSA-N 1 1 306.362 3.075 10 5 DGBEMO CC(=O)c1ccc(NCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000079914507 400906448 /nfs/dbraw/zinc/90/64/48/400906448.db2.gz WWNAJLOCNHSEST-GFCCVEGCSA-N 1 1 305.378 3.084 10 5 DGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000128512471 227009325 /nfs/dbraw/zinc/00/93/25/227009325.db2.gz OERRFIXYULUQPN-CZUORRHYSA-N 1 1 324.808 3.375 10 5 DGBEMO Cc1cc(N[C@H]2CCC[NH2+][C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000262513602 274719862 /nfs/dbraw/zinc/71/98/62/274719862.db2.gz NEXPQNZKXLZZHS-RISCZKNCSA-N 1 1 300.362 3.004 10 5 DGBEMO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000302860451 275035881 /nfs/dbraw/zinc/03/58/81/275035881.db2.gz PAUJAMCKFHMNIO-UHFFFAOYSA-N 1 1 315.348 3.056 10 5 DGBEMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@@H]1CCCO1 ZINC000128025502 431986366 /nfs/dbraw/zinc/98/63/66/431986366.db2.gz DRBXKLKRMWBATI-HNNXBMFYSA-N 1 1 316.357 3.466 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000183317388 432281632 /nfs/dbraw/zinc/28/16/32/432281632.db2.gz ZWBYWHYXDRCUSB-UHFFFAOYSA-N 1 1 300.362 3.006 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000183349567 432285453 /nfs/dbraw/zinc/28/54/53/432285453.db2.gz LQDRJNVLDFBBAI-INIZCTEOSA-N 1 1 300.362 3.354 10 5 DGBEMO CCc1ccc([C@@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174874093 432375239 /nfs/dbraw/zinc/37/52/39/432375239.db2.gz BEQXODAWOYAHQL-HNNXBMFYSA-N 1 1 318.377 3.174 10 5 DGBEMO CCc1ccc([C@H]2CCCC[N@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176262387 432505852 /nfs/dbraw/zinc/50/58/52/432505852.db2.gz XERSWXNIEILRSJ-CQSZACIVSA-N 1 1 318.377 3.174 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000176835263 432556537 /nfs/dbraw/zinc/55/65/37/432556537.db2.gz JDLGNDDJLJPBSL-UHFFFAOYSA-N 1 1 322.368 3.317 10 5 DGBEMO CC[N@H+]1CCC[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000194380642 432546877 /nfs/dbraw/zinc/54/68/77/432546877.db2.gz USLJODVOBBXYOU-LBPRGKRZSA-N 1 1 300.362 3.039 10 5 DGBEMO Cc1c(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000178523323 432747520 /nfs/dbraw/zinc/74/75/20/432747520.db2.gz PDYVCPNPVQAPOP-CQSZACIVSA-N 1 1 320.389 3.067 10 5 DGBEMO O=C(CC[N@H+]1CCCC12CCC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000373102486 433092110 /nfs/dbraw/zinc/09/21/10/433092110.db2.gz AEZDTFUOKVNZEC-UHFFFAOYSA-N 1 1 321.352 3.081 10 5 DGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1Cl ZINC000301776653 433720417 /nfs/dbraw/zinc/72/04/17/433720417.db2.gz OPMBIPVRAFSBAN-LLVKDONJSA-N 1 1 312.801 3.176 10 5 DGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+]([C@@H]1CCCc3ccccc31)CC2 ZINC000580127191 435207340 /nfs/dbraw/zinc/20/73/40/435207340.db2.gz AQBYMBVCACRGGA-GOSISDBHSA-N 1 1 309.369 3.426 10 5 DGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@@H+]([C@@H]1CCCc3ccccc31)CC2 ZINC000580127191 435207343 /nfs/dbraw/zinc/20/73/43/435207343.db2.gz AQBYMBVCACRGGA-GOSISDBHSA-N 1 1 309.369 3.426 10 5 DGBEMO Cn1ccnc1[C@H]([NH2+]CCCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000578150691 323693315 /nfs/dbraw/zinc/69/33/15/323693315.db2.gz CYVVBVRAPLKYOB-MRXNPFEDSA-N 1 1 314.389 3.198 10 5 DGBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](c3nccs3)C2)cs1 ZINC000156987877 527329954 /nfs/dbraw/zinc/32/99/54/527329954.db2.gz NXCGKJPRCYUFGW-LLVKDONJSA-N 1 1 309.416 3.492 10 5 DGBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cs1 ZINC000156987877 527329956 /nfs/dbraw/zinc/32/99/56/527329956.db2.gz NXCGKJPRCYUFGW-LLVKDONJSA-N 1 1 309.416 3.492 10 5 DGBEMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](c3nccs3)C2)cs1 ZINC000156988025 527330090 /nfs/dbraw/zinc/33/00/90/527330090.db2.gz NXCGKJPRCYUFGW-NSHDSACASA-N 1 1 309.416 3.492 10 5 DGBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)cs1 ZINC000156988025 527330093 /nfs/dbraw/zinc/33/00/93/527330093.db2.gz NXCGKJPRCYUFGW-NSHDSACASA-N 1 1 309.416 3.492 10 5 DGBEMO CCC[N@H+]1CCC[C@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000443102372 528236947 /nfs/dbraw/zinc/23/69/47/528236947.db2.gz OOYCZPMVMKBREZ-ZDUSSCGKSA-N 1 1 302.334 3.192 10 5 DGBEMO C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128760623 625200180 /nfs/dbraw/zinc/20/01/80/625200180.db2.gz DMNZUSIAUQPOAI-NEPJUHHUSA-N 1 1 323.368 3.183 10 5 DGBEMO Cn1nccc1C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180093401 432078515 /nfs/dbraw/zinc/07/85/15/432078515.db2.gz OXRFHLGDQBNPJT-SFHVURJKSA-N 1 1 322.368 3.208 10 5 DGBEMO CC[C@@H]([NH2+][C@@H](C)c1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000188114445 200196230 /nfs/dbraw/zinc/19/62/30/200196230.db2.gz MDMJQSFWVTYBJY-SWLSCSKDSA-N 1 1 300.362 3.495 10 5 DGBEMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000435593232 238323389 /nfs/dbraw/zinc/32/33/89/238323389.db2.gz PMTVKXQGHWDJEL-OAHLLOKOSA-N 1 1 304.394 3.199 10 5 DGBEMO CC(C)(C)[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543468 241163594 /nfs/dbraw/zinc/16/35/94/241163594.db2.gz BWSSDQXSQIUCIO-GDBMZVCRSA-N 1 1 306.406 3.181 10 5 DGBEMO Cc1cnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000451547613 241168096 /nfs/dbraw/zinc/16/80/96/241168096.db2.gz LERKPUWHRDWOMR-HNNXBMFYSA-N 1 1 312.373 3.073 10 5 DGBEMO Cc1cnc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000451547613 241168100 /nfs/dbraw/zinc/16/81/00/241168100.db2.gz LERKPUWHRDWOMR-HNNXBMFYSA-N 1 1 312.373 3.073 10 5 DGBEMO CC[C@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000181260269 432120752 /nfs/dbraw/zinc/12/07/52/432120752.db2.gz IUUJRUUDEBWSHJ-GJZGRUSLSA-N 1 1 315.377 3.071 10 5 DGBEMO CC[N@@H+](CCc1nccs1)CCc1ccc([N+](=O)[O-])cc1 ZINC000159160195 197332231 /nfs/dbraw/zinc/33/22/31/197332231.db2.gz UCMWREXUASGLIP-UHFFFAOYSA-N 1 1 305.403 3.158 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000470173583 533383363 /nfs/dbraw/zinc/38/33/63/533383363.db2.gz CYYADEYOGJCEKM-BLSFAOBESA-N 1 1 315.417 3.167 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000470173583 533383366 /nfs/dbraw/zinc/38/33/66/533383366.db2.gz CYYADEYOGJCEKM-BLSFAOBESA-N 1 1 315.417 3.167 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000470173583 533383369 /nfs/dbraw/zinc/38/33/69/533383369.db2.gz CYYADEYOGJCEKM-BLSFAOBESA-N 1 1 315.417 3.167 10 5 DGBEMO Cc1ccc([C@@H](C)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000247250543 432214286 /nfs/dbraw/zinc/21/42/86/432214286.db2.gz ZQBHXCBOFSCMSY-HUUCEWRRSA-N 1 1 305.422 3.428 10 5 DGBEMO Cc1ccc([C@@H](C)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000247250543 432214290 /nfs/dbraw/zinc/21/42/90/432214290.db2.gz ZQBHXCBOFSCMSY-HUUCEWRRSA-N 1 1 305.422 3.428 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC[N@H+](C2CC2)CC1 ZINC000182716129 432220975 /nfs/dbraw/zinc/22/09/75/432220975.db2.gz MXNCINUTUJKQKG-CQSZACIVSA-N 1 1 303.406 3.134 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCN(C2CC2)CC1 ZINC000182716129 432220977 /nfs/dbraw/zinc/22/09/77/432220977.db2.gz MXNCINUTUJKQKG-CQSZACIVSA-N 1 1 303.406 3.134 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCCN(C2CC2)CC1 ZINC000182716129 432220980 /nfs/dbraw/zinc/22/09/80/432220980.db2.gz MXNCINUTUJKQKG-CQSZACIVSA-N 1 1 303.406 3.134 10 5 DGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247977812 432259707 /nfs/dbraw/zinc/25/97/07/432259707.db2.gz LNRQPIAFLUPQAO-BBRMVZONSA-N 1 1 324.808 3.375 10 5 DGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247977812 432259710 /nfs/dbraw/zinc/25/97/10/432259710.db2.gz LNRQPIAFLUPQAO-BBRMVZONSA-N 1 1 324.808 3.375 10 5 DGBEMO CC[N@@H+](C)[C@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302837508 276078711 /nfs/dbraw/zinc/07/87/11/276078711.db2.gz XPIXOJAZQQUKKO-VIFPVBQESA-N 1 1 318.204 3.432 10 5 DGBEMO C[C@H]1C[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123396892 431864367 /nfs/dbraw/zinc/86/43/67/431864367.db2.gz YXWUNAVUZAUUJP-SMDDNHRTSA-N 1 1 311.813 3.163 10 5 DGBEMO Cc1c(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000128406449 431993950 /nfs/dbraw/zinc/99/39/50/431993950.db2.gz XMIUFFWVESUOHI-WBVHZDCISA-N 1 1 304.390 3.030 10 5 DGBEMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174475326 432351052 /nfs/dbraw/zinc/35/10/52/432351052.db2.gz YQWSRZAAPDRBCY-VXGBXAGGSA-N 1 1 306.362 3.082 10 5 DGBEMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248630575 432308326 /nfs/dbraw/zinc/30/83/26/432308326.db2.gz PALBVRRYWHVXEW-WMLDXEAASA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248630575 432308344 /nfs/dbraw/zinc/30/83/44/432308344.db2.gz PALBVRRYWHVXEW-WMLDXEAASA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248630575 432308348 /nfs/dbraw/zinc/30/83/48/432308348.db2.gz PALBVRRYWHVXEW-WMLDXEAASA-N 1 1 305.422 3.065 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000174009522 432314017 /nfs/dbraw/zinc/31/40/17/432314017.db2.gz WIGXDYUHQKEJAE-JSGCOSHPSA-N 1 1 319.405 3.352 10 5 DGBEMO C[C@@H]1C[C@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000255162974 432407901 /nfs/dbraw/zinc/40/79/01/432407901.db2.gz FMDWXMXQVFURNA-CSVMTYNTSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000255162974 432407909 /nfs/dbraw/zinc/40/79/09/432407909.db2.gz FMDWXMXQVFURNA-CSVMTYNTSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000255162974 432407911 /nfs/dbraw/zinc/40/79/11/432407911.db2.gz FMDWXMXQVFURNA-CSVMTYNTSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000255162972 432408195 /nfs/dbraw/zinc/40/81/95/432408195.db2.gz FMDWXMXQVFURNA-CSVGXABCSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000255162972 432408200 /nfs/dbraw/zinc/40/82/00/432408200.db2.gz FMDWXMXQVFURNA-CSVGXABCSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CCN1C ZINC000255162972 432408205 /nfs/dbraw/zinc/40/82/05/432408205.db2.gz FMDWXMXQVFURNA-CSVGXABCSA-N 1 1 303.406 3.023 10 5 DGBEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000193642719 432487920 /nfs/dbraw/zinc/48/79/20/432487920.db2.gz QZQQEQSOAWTZBA-NWDGAFQWSA-N 1 1 317.345 3.174 10 5 DGBEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000193642703 432488199 /nfs/dbraw/zinc/48/81/99/432488199.db2.gz QZQQEQSOAWTZBA-VXGBXAGGSA-N 1 1 317.345 3.174 10 5 DGBEMO C[C@H]1C[C@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000154016335 432464698 /nfs/dbraw/zinc/46/46/98/432464698.db2.gz ATSNPRRHYOXJGS-WCQYABFASA-N 1 1 311.813 3.163 10 5 DGBEMO C[C@@H]1CCC[N@H+]1C1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000154896078 432527544 /nfs/dbraw/zinc/52/75/44/432527544.db2.gz AXWQPBQSDJYNSX-GFCCVEGCSA-N 1 1 307.369 3.187 10 5 DGBEMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000194381050 432546513 /nfs/dbraw/zinc/54/65/13/432546513.db2.gz KKIPFBOJVHBLKP-GFCCVEGCSA-N 1 1 300.362 3.039 10 5 DGBEMO Cc1cnc(CC[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000157698398 432626276 /nfs/dbraw/zinc/62/62/76/432626276.db2.gz PNRGDCHEMUJVOM-UHFFFAOYSA-N 1 1 305.403 3.077 10 5 DGBEMO C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)C1 ZINC000178959882 432792203 /nfs/dbraw/zinc/79/22/03/432792203.db2.gz GROMNASWMZYMFM-QWHCGFSZSA-N 1 1 320.389 3.329 10 5 DGBEMO C[C@@H]1C[C@@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000569877734 435569140 /nfs/dbraw/zinc/56/91/40/435569140.db2.gz SOMVOSFXQAPNFP-HIFRSBDPSA-N 1 1 304.390 3.374 10 5 DGBEMO C[C@H]1C[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000583556628 324369176 /nfs/dbraw/zinc/36/91/76/324369176.db2.gz MDLFVQLIMTWPPN-ZFWWWQNUSA-N 1 1 304.390 3.374 10 5 DGBEMO CCC[N@H+]1CCC[C@@H]1c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000443102369 528225612 /nfs/dbraw/zinc/22/56/12/528225612.db2.gz OOYCZPMVMKBREZ-CYBMUJFWSA-N 1 1 302.334 3.192 10 5 DGBEMO C[N@@H+](CCNc1cc(F)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000302789638 546437519 /nfs/dbraw/zinc/43/75/19/546437519.db2.gz FIWQFVCTPXOAED-UHFFFAOYSA-N 1 1 303.337 3.278 10 5 DGBEMO Cc1nn(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000114445198 621007468 /nfs/dbraw/zinc/00/74/68/621007468.db2.gz GNFHTXLLBCCTLI-MRXNPFEDSA-N 1 1 304.394 3.188 10 5 DGBEMO Cc1nn(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c(C)c1[N+](=O)[O-] ZINC000114445198 621007472 /nfs/dbraw/zinc/00/74/72/621007472.db2.gz GNFHTXLLBCCTLI-MRXNPFEDSA-N 1 1 304.394 3.188 10 5 DGBEMO CN(C)c1cccc(C[N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000089923254 662250905 /nfs/dbraw/zinc/25/09/05/662250905.db2.gz RELFOWSMNXCRBB-UHFFFAOYSA-N 1 1 317.364 3.432 10 5 DGBEMO CN(C)c1cccc(C[N@@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000089923254 662250907 /nfs/dbraw/zinc/25/09/07/662250907.db2.gz RELFOWSMNXCRBB-UHFFFAOYSA-N 1 1 317.364 3.432 10 5 DGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000246318682 662253938 /nfs/dbraw/zinc/25/39/38/662253938.db2.gz RKMPFMWFJYPLNS-QZTJIDSGSA-N 1 1 316.401 3.451 10 5 DGBEMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000077394240 283850366 /nfs/dbraw/zinc/85/03/66/283850366.db2.gz TYYXMGRRHXQDLJ-UHFFFAOYSA-N 1 1 322.405 3.240 10 5 DGBEMO CC[N@H+]1CC[C@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000093638785 284013762 /nfs/dbraw/zinc/01/37/62/284013762.db2.gz VJRRTZZSAQIOLF-FUZMGVLZSA-N 1 1 317.433 3.270 10 5 DGBEMO CCN1CC[C@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000093638785 284013776 /nfs/dbraw/zinc/01/37/76/284013776.db2.gz VJRRTZZSAQIOLF-FUZMGVLZSA-N 1 1 317.433 3.270 10 5 DGBEMO CCN1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000093638785 284013780 /nfs/dbraw/zinc/01/37/80/284013780.db2.gz VJRRTZZSAQIOLF-FUZMGVLZSA-N 1 1 317.433 3.270 10 5 DGBEMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000246313534 432118619 /nfs/dbraw/zinc/11/86/19/432118619.db2.gz QZQVFPQAYQJCAT-XWIAVFTESA-N 1 1 312.369 3.321 10 5 DGBEMO CCS[C@H]1CCCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246318860 432119006 /nfs/dbraw/zinc/11/90/06/432119006.db2.gz RLXFTLXNVFLJTD-JKSUJKDBSA-N 1 1 324.446 3.236 10 5 DGBEMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000093438100 193251176 /nfs/dbraw/zinc/25/11/76/193251176.db2.gz YIVWZRJCFAABMC-HNNXBMFYSA-N 1 1 300.362 3.354 10 5 DGBEMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000093438100 193251178 /nfs/dbraw/zinc/25/11/78/193251178.db2.gz YIVWZRJCFAABMC-HNNXBMFYSA-N 1 1 300.362 3.354 10 5 DGBEMO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1[N+](=O)[O-] ZINC000093615086 193275408 /nfs/dbraw/zinc/27/54/08/193275408.db2.gz VSXCRWRZULQCKT-SJORKVTESA-N 1 1 317.433 3.350 10 5 DGBEMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)C1 ZINC000609796759 400191804 /nfs/dbraw/zinc/19/18/04/400191804.db2.gz NSJGJZQWTLPZMV-BBRMVZONSA-N 1 1 312.373 3.237 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000245515129 292295920 /nfs/dbraw/zinc/29/59/20/292295920.db2.gz DADLMKPODSRQBQ-HOCLYGCPSA-N 1 1 303.406 3.134 10 5 DGBEMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185332309 165001027 /nfs/dbraw/zinc/00/10/27/165001027.db2.gz IZLYVUAIVZEKCB-CYBMUJFWSA-N 1 1 300.786 3.087 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195340128 165366966 /nfs/dbraw/zinc/36/69/66/165366966.db2.gz JQQLFQQHXJUXJP-AWEZNQCLSA-N 1 1 317.414 3.473 10 5 DGBEMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000188031856 274319043 /nfs/dbraw/zinc/31/90/43/274319043.db2.gz NURSXPGDEXKWLL-ABAIWWIYSA-N 1 1 312.797 3.231 10 5 DGBEMO Cc1cn2c([nH+]1)CC[C@@H](Nc1c(C)cc([N+](=O)[O-])cc1Cl)C2 ZINC000302815325 274823385 /nfs/dbraw/zinc/82/33/85/274823385.db2.gz IBWCNRHRFYHOQQ-LLVKDONJSA-N 1 1 320.780 3.488 10 5 DGBEMO CC[C@@H]([NH2+][C@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000181260285 276534690 /nfs/dbraw/zinc/53/46/90/276534690.db2.gz IUUJRUUDEBWSHJ-CABCVRRESA-N 1 1 315.377 3.071 10 5 DGBEMO C[C@@H]1C[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123397188 431863885 /nfs/dbraw/zinc/86/38/85/431863885.db2.gz YXWUNAVUZAUUJP-RISCZKNCSA-N 1 1 311.813 3.163 10 5 DGBEMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000123576244 431868967 /nfs/dbraw/zinc/86/89/67/431868967.db2.gz LSCRTQTYMICRCO-HUUCEWRRSA-N 1 1 322.430 3.081 10 5 DGBEMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000249068208 432336434 /nfs/dbraw/zinc/33/64/34/432336434.db2.gz KLLYXFDKUNKETO-VNHYZAJKSA-N 1 1 320.389 3.095 10 5 DGBEMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176204274 432499941 /nfs/dbraw/zinc/49/99/41/432499941.db2.gz WSUXQOKTYZXIDV-NSHDSACASA-N 1 1 308.769 3.138 10 5 DGBEMO CC[N@H+]1CCC[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000194380766 432546352 /nfs/dbraw/zinc/54/63/52/432546352.db2.gz PSKADNPGGVUUPH-CYBMUJFWSA-N 1 1 300.362 3.039 10 5 DGBEMO C[N@@H+]1CCC[C@@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228844330 432720304 /nfs/dbraw/zinc/72/03/04/432720304.db2.gz RLSJZASJDQCAJM-MRVPVSSYSA-N 1 1 304.177 3.408 10 5 DGBEMO C[N@H+]1CCC[C@@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228844330 432720310 /nfs/dbraw/zinc/72/03/10/432720310.db2.gz RLSJZASJDQCAJM-MRVPVSSYSA-N 1 1 304.177 3.408 10 5 DGBEMO CC(=O)c1ccc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000341135802 432972048 /nfs/dbraw/zinc/97/20/48/432972048.db2.gz YUVKCDFITLIAFH-BETUJISGSA-N 1 1 319.405 3.472 10 5 DGBEMO O=[N+]([O-])c1ccc(-c2nnc(C[N@H+]3CCCC34CCC4)o2)cc1 ZINC000373100237 433089712 /nfs/dbraw/zinc/08/97/12/433089712.db2.gz QVOASCQTDNXIMW-UHFFFAOYSA-N 1 1 314.345 3.163 10 5 DGBEMO CC(=O)c1ccc(Nc2ccc3[nH+]c(C)cn3c2)c([N+](=O)[O-])c1 ZINC000351770524 433715842 /nfs/dbraw/zinc/71/58/42/433715842.db2.gz PJSAYIBGNJXIMH-UHFFFAOYSA-N 1 1 310.313 3.497 10 5 DGBEMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])nc2)C[N@H+]1Cc1ccccc1 ZINC000398001424 434450687 /nfs/dbraw/zinc/45/06/87/434450687.db2.gz WLPJQIABSYNJLH-CZUORRHYSA-N 1 1 312.373 3.065 10 5 DGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000544106726 314173350 /nfs/dbraw/zinc/17/33/50/314173350.db2.gz YLTKHJJKZYSJSB-AWEZNQCLSA-N 1 1 317.389 3.130 10 5 DGBEMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000470952177 244196833 /nfs/dbraw/zinc/19/68/33/244196833.db2.gz BFMJJXWEQPFQGV-GXFFZTMASA-N 1 1 302.296 3.410 10 5 DGBEMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000470954857 244199893 /nfs/dbraw/zinc/19/98/93/244199893.db2.gz CWOJUDGWRLVUBD-WDEREUQCSA-N 1 1 318.295 3.246 10 5 DGBEMO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000105894928 194160215 /nfs/dbraw/zinc/16/02/15/194160215.db2.gz XHFZVWNYMALQHI-MRXNPFEDSA-N 1 1 314.389 3.282 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000470217371 533383203 /nfs/dbraw/zinc/38/32/03/533383203.db2.gz YYTKPLGRRAIEAP-HOFZKYPUSA-N 1 1 302.374 3.109 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000470217371 533383205 /nfs/dbraw/zinc/38/32/05/533383205.db2.gz YYTKPLGRRAIEAP-HOFZKYPUSA-N 1 1 302.374 3.109 10 5 DGBEMO C[N@H+]1CC[C@@]2(OC(=O)c3ccc([N+](=O)[O-])cc3)CCCC[C@H]2C1 ZINC000001036775 400080126 /nfs/dbraw/zinc/08/01/26/400080126.db2.gz KCSJHKGWIDSOMK-YOEHRIQHSA-N 1 1 318.373 3.016 10 5 DGBEMO Cn1cc([C@@H]2CCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000255324333 401103597 /nfs/dbraw/zinc/10/35/97/401103597.db2.gz DNOXMRDQTXQDOC-OUOZUETKSA-N 1 1 312.373 3.179 10 5 DGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194734152 165354403 /nfs/dbraw/zinc/35/44/03/165354403.db2.gz UPPDBTLGHOKTOW-HNNXBMFYSA-N 1 1 317.433 3.464 10 5 DGBEMO CCCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101564392 431986288 /nfs/dbraw/zinc/98/62/88/431986288.db2.gz PWJVHMJNFXCKKB-ZFWWWQNUSA-N 1 1 319.405 3.037 10 5 DGBEMO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000101564392 431986289 /nfs/dbraw/zinc/98/62/89/431986289.db2.gz PWJVHMJNFXCKKB-ZFWWWQNUSA-N 1 1 319.405 3.037 10 5 DGBEMO Cc1ccc(C[N@@H+](CCO)Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000183696026 432317518 /nfs/dbraw/zinc/31/75/18/432317518.db2.gz ULQWLECKBNYBIL-UHFFFAOYSA-N 1 1 314.385 3.206 10 5 DGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249379338 432346503 /nfs/dbraw/zinc/34/65/03/432346503.db2.gz OOMYVOWGDPYMLZ-GXTWGEPZSA-N 1 1 300.362 3.259 10 5 DGBEMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000174475336 432350319 /nfs/dbraw/zinc/35/03/19/432350319.db2.gz YQWSRZAAPDRBCY-NWDGAFQWSA-N 1 1 306.362 3.082 10 5 DGBEMO Cc1ccc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000154942517 432529646 /nfs/dbraw/zinc/52/96/46/432529646.db2.gz VKTVKZYZQKLLLT-CQSZACIVSA-N 1 1 303.406 3.356 10 5 DGBEMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000188031832 432700374 /nfs/dbraw/zinc/70/03/74/432700374.db2.gz NURSXPGDEXKWLL-XHDPSFHLSA-N 1 1 312.797 3.231 10 5 DGBEMO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000266728815 432782625 /nfs/dbraw/zinc/78/26/25/432782625.db2.gz NLSXZQLIASIFPT-KGLIPLIRSA-N 1 1 319.405 3.055 10 5 DGBEMO C[C@H](NCC[N@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000343918247 433837955 /nfs/dbraw/zinc/83/79/55/433837955.db2.gz VPCFRRSKPITPCG-HNNXBMFYSA-N 1 1 313.401 3.377 10 5 DGBEMO C[C@H](NCC[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000343918247 433837966 /nfs/dbraw/zinc/83/79/66/433837966.db2.gz VPCFRRSKPITPCG-HNNXBMFYSA-N 1 1 313.401 3.377 10 5 DGBEMO CC(=O)c1ccc2c(c1)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000378270146 434126697 /nfs/dbraw/zinc/12/66/97/434126697.db2.gz ZGUNVZVBDUITEV-UHFFFAOYSA-N 1 1 324.380 3.398 10 5 DGBEMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000537962984 435476350 /nfs/dbraw/zinc/47/63/50/435476350.db2.gz TUHWNLGYGVSSED-WCQYABFASA-N 1 1 302.378 3.217 10 5 DGBEMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000156988896 527385800 /nfs/dbraw/zinc/38/58/00/527385800.db2.gz BBVVEZOZAJGWCR-ZDUSSCGKSA-N 1 1 303.387 3.431 10 5 DGBEMO O=[N+]([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000203559877 574805503 /nfs/dbraw/zinc/80/55/03/574805503.db2.gz JGEJNSUYFKBRNM-DOTOQJQBSA-N 1 1 300.333 3.070 10 5 DGBEMO O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1F ZINC000203559877 574805504 /nfs/dbraw/zinc/80/55/04/574805504.db2.gz JGEJNSUYFKBRNM-DOTOQJQBSA-N 1 1 300.333 3.070 10 5 DGBEMO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)c1 ZINC000171622746 659291775 /nfs/dbraw/zinc/29/17/75/659291775.db2.gz HGSXPSSCGNHNKR-HNNXBMFYSA-N 1 1 318.352 3.076 10 5 DGBEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)c1 ZINC000171622746 659291782 /nfs/dbraw/zinc/29/17/82/659291782.db2.gz HGSXPSSCGNHNKR-HNNXBMFYSA-N 1 1 318.352 3.076 10 5 DGBEMO C[C@@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000172847807 659360052 /nfs/dbraw/zinc/36/00/52/659360052.db2.gz FSUFOJQAEKQXDY-YPMHNXCESA-N 1 1 311.813 3.163 10 5 DGBEMO CC1(C)CCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000077382805 662024165 /nfs/dbraw/zinc/02/41/65/662024165.db2.gz RNOIAZJQBDNEOC-UHFFFAOYSA-N 1 1 311.769 3.061 10 5 DGBEMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1cccnc1 ZINC000162121725 1176612737 /nfs/dbraw/zinc/61/27/37/1176612737.db2.gz XURLAAJEBXHGNN-UHFFFAOYSA-N 1 1 322.162 3.042 10 5 DGBEMO CCC(C)(C)NC(=O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350253 432008584 /nfs/dbraw/zinc/00/85/84/432008584.db2.gz NSQASKBDZMBRSS-UHFFFAOYSA-N 1 1 321.421 3.110 10 5 DGBEMO CCC(C)(C)NC(=O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350253 432008587 /nfs/dbraw/zinc/00/85/87/432008587.db2.gz NSQASKBDZMBRSS-UHFFFAOYSA-N 1 1 321.421 3.110 10 5 DGBEMO CCC[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164730212 432050745 /nfs/dbraw/zinc/05/07/45/432050745.db2.gz JTJFVEPACYAELZ-CABCVRRESA-N 1 1 315.377 3.152 10 5 DGBEMO COc1ccc(F)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000189199248 200363198 /nfs/dbraw/zinc/36/31/98/200363198.db2.gz PKQQWWGYRCZFAJ-UHFFFAOYSA-N 1 1 304.321 3.341 10 5 DGBEMO C[C@@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H](C)O1 ZINC000127064519 284326071 /nfs/dbraw/zinc/32/60/71/284326071.db2.gz LBJPYUZQMIQSNG-CHWSQXEVSA-N 1 1 316.357 3.464 10 5 DGBEMO CC(C)C[C@H](C[NH+](C)C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105436519 194104395 /nfs/dbraw/zinc/10/43/95/194104395.db2.gz OPPCOVIFBOFNQT-CYBMUJFWSA-N 1 1 313.829 3.314 10 5 DGBEMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COc3ccccc32)ccc1Cl ZINC000105468606 194105546 /nfs/dbraw/zinc/10/55/46/194105546.db2.gz RYGGYJZAMAOSFM-CYBMUJFWSA-N 1 1 304.733 3.472 10 5 DGBEMO CC[N@@H+](CCc1nccs1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000159187864 197334195 /nfs/dbraw/zinc/33/41/95/197334195.db2.gz RGLZTTSWKXTZSS-UHFFFAOYSA-N 1 1 321.402 3.125 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000470182597 533407924 /nfs/dbraw/zinc/40/79/24/533407924.db2.gz MEKFYCCQDOHABD-NQKFPNJCSA-N 1 1 316.401 3.499 10 5 DGBEMO Cn1cc[nH+]c1C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1 ZINC000610282335 400234284 /nfs/dbraw/zinc/23/42/84/400234284.db2.gz LAXFZGBVKLJRGX-OAHLLOKOSA-N 1 1 323.356 3.119 10 5 DGBEMO Cc1[nH+]ccn1C[C@@H]1CCCN1c1ccc(C)cc1[N+](=O)[O-] ZINC000269935492 432223861 /nfs/dbraw/zinc/22/38/61/432223861.db2.gz NYFUKZLBHCNEFJ-AWEZNQCLSA-N 1 1 300.362 3.077 10 5 DGBEMO C[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000194701060 277081258 /nfs/dbraw/zinc/08/12/58/277081258.db2.gz ZBVCQGQNZBSGNQ-HNNXBMFYSA-N 1 1 319.408 3.212 10 5 DGBEMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000119407054 431690141 /nfs/dbraw/zinc/69/01/41/431690141.db2.gz ULSGUXUBCTXWJM-NSHDSACASA-N 1 1 306.387 3.425 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126561847 431953372 /nfs/dbraw/zinc/95/33/72/431953372.db2.gz MPUKLWVOEWCMGT-INIZCTEOSA-N 1 1 318.398 3.272 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000126561847 431953374 /nfs/dbraw/zinc/95/33/74/431953374.db2.gz MPUKLWVOEWCMGT-INIZCTEOSA-N 1 1 318.398 3.272 10 5 DGBEMO COc1cnccc1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000189555244 432799571 /nfs/dbraw/zinc/79/95/71/432799571.db2.gz FZBAORZNIDEWAX-GFCCVEGCSA-N 1 1 301.346 3.158 10 5 DGBEMO CC[N@@H+](C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000302775383 433860858 /nfs/dbraw/zinc/86/08/58/433860858.db2.gz OIXQXAAHBCGWEY-NSHDSACASA-N 1 1 317.311 3.144 10 5 DGBEMO C[C@@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCC12CCOCC2 ZINC000408204614 434551111 /nfs/dbraw/zinc/55/11/11/434551111.db2.gz OGXRYYVVWZWZNY-LBPRGKRZSA-N 1 1 308.353 3.125 10 5 DGBEMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](CC3CCCCC3)CC2)cn1 ZINC000558201246 435079837 /nfs/dbraw/zinc/07/98/37/435079837.db2.gz QGAXNDBJOIFNOK-UHFFFAOYSA-N 1 1 318.421 3.082 10 5 DGBEMO C[C@H](C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000491053596 435698140 /nfs/dbraw/zinc/69/81/40/435698140.db2.gz OITPCFMKZYJOLU-RDTXWAMCSA-N 1 1 313.401 3.224 10 5 DGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000156992519 527349258 /nfs/dbraw/zinc/34/92/58/527349258.db2.gz HGXFYEWWCMHVSK-CYBMUJFWSA-N 1 1 303.387 3.431 10 5 DGBEMO CCOc1cc(N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301965452 528308735 /nfs/dbraw/zinc/30/87/35/528308735.db2.gz UUXHIBBOXDTIES-ZFWWWQNUSA-N 1 1 321.421 3.160 10 5 DGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000177984959 655952088 /nfs/dbraw/zinc/95/20/88/655952088.db2.gz PAZSJIOIOWOFJF-CZUORRHYSA-N 1 1 324.808 3.375 10 5 DGBEMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1ccncc1 ZINC000162121869 1176613032 /nfs/dbraw/zinc/61/30/32/1176613032.db2.gz QODGVCSOUJXXDU-UHFFFAOYSA-N 1 1 322.162 3.042 10 5 DGBEMO Cc1cnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000451547616 241169574 /nfs/dbraw/zinc/16/95/74/241169574.db2.gz LERKPUWHRDWOMR-OAHLLOKOSA-N 1 1 312.373 3.073 10 5 DGBEMO Cc1cnc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)nc1 ZINC000451547616 241169581 /nfs/dbraw/zinc/16/95/81/241169581.db2.gz LERKPUWHRDWOMR-OAHLLOKOSA-N 1 1 312.373 3.073 10 5 DGBEMO C[C@@H]1C[C@@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000093643893 193281280 /nfs/dbraw/zinc/28/12/80/193281280.db2.gz FMDWXMXQVFURNA-BIYNOUFRSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000093643893 193281282 /nfs/dbraw/zinc/28/12/82/193281282.db2.gz FMDWXMXQVFURNA-BIYNOUFRSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000093643893 193281283 /nfs/dbraw/zinc/28/12/83/193281283.db2.gz FMDWXMXQVFURNA-BIYNOUFRSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])CC[N@H+]1C ZINC000093643891 193281740 /nfs/dbraw/zinc/28/17/40/193281740.db2.gz FMDWXMXQVFURNA-UVMHCMFPSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000093643891 193281741 /nfs/dbraw/zinc/28/17/41/193281741.db2.gz FMDWXMXQVFURNA-UVMHCMFPSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CCN1C ZINC000093643891 193281742 /nfs/dbraw/zinc/28/17/42/193281742.db2.gz FMDWXMXQVFURNA-UVMHCMFPSA-N 1 1 303.406 3.023 10 5 DGBEMO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC[N@H+]1C ZINC000266239354 205206726 /nfs/dbraw/zinc/20/67/26/205206726.db2.gz KYHZLIAIZDVQSD-OLZOCXBDSA-N 1 1 314.389 3.062 10 5 DGBEMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000246611729 432149144 /nfs/dbraw/zinc/14/91/44/432149144.db2.gz NEIIVNYPBMWVPH-GDBMZVCRSA-N 1 1 316.357 3.276 10 5 DGBEMO O=[N+]([O-])c1cc(C[NH2+][C@H]2COc3ccccc32)ccc1Cl ZINC000105468608 194106433 /nfs/dbraw/zinc/10/64/33/194106433.db2.gz RYGGYJZAMAOSFM-ZDUSSCGKSA-N 1 1 304.733 3.472 10 5 DGBEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000105896670 194162271 /nfs/dbraw/zinc/16/22/71/194162271.db2.gz NLLNXUACUUHBIW-HNNXBMFYSA-N 1 1 314.389 3.191 10 5 DGBEMO CO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1C ZINC000251985779 285100767 /nfs/dbraw/zinc/10/07/67/285100767.db2.gz VRECYKDYMWPNBZ-CXAGYDPISA-N 1 1 322.405 3.239 10 5 DGBEMO CO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1C ZINC000251985779 285100769 /nfs/dbraw/zinc/10/07/69/285100769.db2.gz VRECYKDYMWPNBZ-CXAGYDPISA-N 1 1 322.405 3.239 10 5 DGBEMO CC[N@H+]1CC[C@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000255375627 285151151 /nfs/dbraw/zinc/15/11/51/285151151.db2.gz VJRRTZZSAQIOLF-OWWQLCIYSA-N 1 1 317.433 3.270 10 5 DGBEMO CCN1CC[C@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000255375627 285151164 /nfs/dbraw/zinc/15/11/64/285151164.db2.gz VJRRTZZSAQIOLF-OWWQLCIYSA-N 1 1 317.433 3.270 10 5 DGBEMO CCN1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000255375627 285151167 /nfs/dbraw/zinc/15/11/67/285151167.db2.gz VJRRTZZSAQIOLF-OWWQLCIYSA-N 1 1 317.433 3.270 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600208275 401221926 /nfs/dbraw/zinc/22/19/26/401221926.db2.gz PNOJNJYPFKQZMT-ANVZNTJQSA-N 1 1 316.401 3.093 10 5 DGBEMO CC[C@H](N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247076232 432200278 /nfs/dbraw/zinc/20/02/78/432200278.db2.gz NHSLSPWJJUZHFI-COXVUDFISA-N 1 1 305.422 3.364 10 5 DGBEMO CC[C@H](N[C@H]1C[N@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247076232 432200281 /nfs/dbraw/zinc/20/02/81/432200281.db2.gz NHSLSPWJJUZHFI-COXVUDFISA-N 1 1 305.422 3.364 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC[N@H+](C2CC2)CC1 ZINC000182716147 432221196 /nfs/dbraw/zinc/22/11/96/432221196.db2.gz MXNCINUTUJKQKG-AWEZNQCLSA-N 1 1 303.406 3.134 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCN(C2CC2)CC1 ZINC000182716147 432221200 /nfs/dbraw/zinc/22/12/00/432221200.db2.gz MXNCINUTUJKQKG-AWEZNQCLSA-N 1 1 303.406 3.134 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCCN(C2CC2)CC1 ZINC000182716147 432221203 /nfs/dbraw/zinc/22/12/03/432221203.db2.gz MXNCINUTUJKQKG-AWEZNQCLSA-N 1 1 303.406 3.134 10 5 DGBEMO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963691 431945507 /nfs/dbraw/zinc/94/55/07/431945507.db2.gz KHABQXMBTJKSCY-ZDUSSCGKSA-N 1 1 313.829 3.314 10 5 DGBEMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C[C@H]1CCCO1 ZINC000128025765 431986224 /nfs/dbraw/zinc/98/62/24/431986224.db2.gz DRBXKLKRMWBATI-OAHLLOKOSA-N 1 1 316.357 3.466 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000183389494 432287796 /nfs/dbraw/zinc/28/77/96/432287796.db2.gz LLJIVLKHXMIBHF-MRXNPFEDSA-N 1 1 314.389 3.146 10 5 DGBEMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c1NCC2 ZINC000261679722 432440858 /nfs/dbraw/zinc/44/08/58/432440858.db2.gz GUDKUZDOMKSJPD-UHFFFAOYSA-N 1 1 311.385 3.237 10 5 DGBEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000193642671 432488478 /nfs/dbraw/zinc/48/84/78/432488478.db2.gz QZQQEQSOAWTZBA-NEPJUHHUSA-N 1 1 317.345 3.174 10 5 DGBEMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245724953 432858952 /nfs/dbraw/zinc/85/89/52/432858952.db2.gz IPYSIQWIIJLGJM-HOCLYGCPSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245724953 432858954 /nfs/dbraw/zinc/85/89/54/432858954.db2.gz IPYSIQWIIJLGJM-HOCLYGCPSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245724953 432858955 /nfs/dbraw/zinc/85/89/55/432858955.db2.gz IPYSIQWIIJLGJM-HOCLYGCPSA-N 1 1 305.422 3.065 10 5 DGBEMO COc1cc(NCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000301616854 433643928 /nfs/dbraw/zinc/64/39/28/433643928.db2.gz KAWAUBYGAPSGID-NSHDSACASA-N 1 1 311.357 3.029 10 5 DGBEMO Cc1ccnc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000302004602 433806785 /nfs/dbraw/zinc/80/67/85/433806785.db2.gz KJMTYTUGZWAALY-AWEZNQCLSA-N 1 1 314.389 3.231 10 5 DGBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000302680316 433830237 /nfs/dbraw/zinc/83/02/37/433830237.db2.gz OPXYRSAFDJEFPK-GFCCVEGCSA-N 1 1 309.797 3.231 10 5 DGBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000302680316 433830244 /nfs/dbraw/zinc/83/02/44/433830244.db2.gz OPXYRSAFDJEFPK-GFCCVEGCSA-N 1 1 309.797 3.231 10 5 DGBEMO Cn1ccnc1[C@H]([NH2+]CCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000570150315 315628079 /nfs/dbraw/zinc/62/80/79/315628079.db2.gz XGSQPKXXBQSPMB-MRXNPFEDSA-N 1 1 314.389 3.198 10 5 DGBEMO Cc1ccc(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179960663 323218736 /nfs/dbraw/zinc/21/87/36/323218736.db2.gz JSWXYUOGPRYXCQ-AWEZNQCLSA-N 1 1 320.389 3.067 10 5 DGBEMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185343712 323387865 /nfs/dbraw/zinc/38/78/65/323387865.db2.gz PVZABFCUWUFMIP-CYBMUJFWSA-N 1 1 300.786 3.087 10 5 DGBEMO Cn1ccnc1[C@@H]([NH2+]CCCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000578150690 323692927 /nfs/dbraw/zinc/69/29/27/323692927.db2.gz CYVVBVRAPLKYOB-INIZCTEOSA-N 1 1 314.389 3.198 10 5 DGBEMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000090359680 662260565 /nfs/dbraw/zinc/26/05/65/662260565.db2.gz DNALESDJWUAISV-SECBINFHSA-N 1 1 307.331 3.415 10 5 DGBEMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]Cc1ccoc1 ZINC000162236640 1203437762 /nfs/dbraw/zinc/43/77/62/1203437762.db2.gz GEDWQDKIQQNQLK-UHFFFAOYSA-N 1 1 311.135 3.240 10 5 DGBEMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000072897158 191249954 /nfs/dbraw/zinc/24/99/54/191249954.db2.gz CEWYYWYRDBXMBJ-OLZOCXBDSA-N 1 1 319.405 3.352 10 5 DGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000072981245 191263915 /nfs/dbraw/zinc/26/39/15/191263915.db2.gz MZODIGWTAHCBTL-HOCLYGCPSA-N 1 1 305.422 3.462 10 5 DGBEMO CCC[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164729870 432051428 /nfs/dbraw/zinc/05/14/28/432051428.db2.gz JTJFVEPACYAELZ-LSDHHAIUSA-N 1 1 315.377 3.152 10 5 DGBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000180124483 199120442 /nfs/dbraw/zinc/12/04/42/199120442.db2.gz MMXDQGIUVROZHV-INIZCTEOSA-N 1 1 314.389 3.073 10 5 DGBEMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1(CO)CC1 ZINC000188954740 200327043 /nfs/dbraw/zinc/32/70/43/200327043.db2.gz ICXRIJUHSJXRPS-UHFFFAOYSA-N 1 1 316.357 3.059 10 5 DGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246217376 432109380 /nfs/dbraw/zinc/10/93/80/432109380.db2.gz CZRUQDLOMYHWFR-LSDHHAIUSA-N 1 1 302.330 3.058 10 5 DGBEMO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000105894948 194161119 /nfs/dbraw/zinc/16/11/19/194161119.db2.gz XTTCYKXZIFEQIE-INIZCTEOSA-N 1 1 314.389 3.282 10 5 DGBEMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000468738304 533410458 /nfs/dbraw/zinc/41/04/58/533410458.db2.gz HAEUOKOQGMIJLP-BWODNOAJSA-N 1 1 314.389 3.250 10 5 DGBEMO O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC000115490382 400397809 /nfs/dbraw/zinc/39/78/09/400397809.db2.gz YCDZWQNDXSITIX-DLBZAZTESA-N 1 1 300.333 3.070 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000182878805 292295943 /nfs/dbraw/zinc/29/59/43/292295943.db2.gz DADLMKPODSRQBQ-GOEBONIOSA-N 1 1 303.406 3.134 10 5 DGBEMO Cc1ccc([C@H](C)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000247250524 432215806 /nfs/dbraw/zinc/21/58/06/432215806.db2.gz ZQBHXCBOFSCMSY-CABCVRRESA-N 1 1 305.422 3.428 10 5 DGBEMO Cc1ccc([C@H](C)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000247250524 432215809 /nfs/dbraw/zinc/21/58/09/432215809.db2.gz ZQBHXCBOFSCMSY-CABCVRRESA-N 1 1 305.422 3.428 10 5 DGBEMO C[C@@H]1CCC[N@H+]1C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000154945486 274292799 /nfs/dbraw/zinc/29/27/99/274292799.db2.gz OBCAWGWAQQRVHN-GFCCVEGCSA-N 1 1 307.369 3.187 10 5 DGBEMO CCC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164729985 278872737 /nfs/dbraw/zinc/87/27/37/278872737.db2.gz JTJFVEPACYAELZ-HUUCEWRRSA-N 1 1 315.377 3.152 10 5 DGBEMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072897666 431357090 /nfs/dbraw/zinc/35/70/90/431357090.db2.gz XIAASLOYXKCVSU-VXGBXAGGSA-N 1 1 316.361 3.265 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000183289039 432277458 /nfs/dbraw/zinc/27/74/58/432277458.db2.gz XOWWGHNRAAYJKE-AWEZNQCLSA-N 1 1 300.362 3.006 10 5 DGBEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176204293 432500172 /nfs/dbraw/zinc/50/01/72/432500172.db2.gz WSUXQOKTYZXIDV-LLVKDONJSA-N 1 1 308.769 3.138 10 5 DGBEMO CC[N@H+]1CCC[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000194380749 432546179 /nfs/dbraw/zinc/54/61/79/432546179.db2.gz PSKADNPGGVUUPH-ZDUSSCGKSA-N 1 1 300.362 3.039 10 5 DGBEMO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000187050379 432642527 /nfs/dbraw/zinc/64/25/27/432642527.db2.gz FIXGYPNJPMIVPX-NWDGAFQWSA-N 1 1 301.346 3.410 10 5 DGBEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000178323283 432720351 /nfs/dbraw/zinc/72/03/51/432720351.db2.gz AOIOQJLQIDMPOY-MRXNPFEDSA-N 1 1 314.389 3.073 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cnn(C)c1C ZINC000518685381 435649777 /nfs/dbraw/zinc/64/97/77/435649777.db2.gz FZLYRKDKHTUFBE-JYRVWZFOSA-N 1 1 314.389 3.172 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000183310895 323333785 /nfs/dbraw/zinc/33/37/85/323333785.db2.gz BLACPICAQPZERP-UHFFFAOYSA-N 1 1 317.433 3.354 10 5 DGBEMO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183372975 323335721 /nfs/dbraw/zinc/33/57/21/323335721.db2.gz TZCCYPNDNAUIRZ-UHFFFAOYSA-N 1 1 318.373 3.453 10 5 DGBEMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183372975 323335724 /nfs/dbraw/zinc/33/57/24/323335724.db2.gz TZCCYPNDNAUIRZ-UHFFFAOYSA-N 1 1 318.373 3.453 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000583097227 324313425 /nfs/dbraw/zinc/31/34/25/324313425.db2.gz XZJMNILVHKMEPU-JOHMGYAOSA-N 1 1 312.316 3.312 10 5 DGBEMO C[C@H]1C[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000172847801 659359849 /nfs/dbraw/zinc/35/98/49/659359849.db2.gz FSUFOJQAEKQXDY-WCQYABFASA-N 1 1 311.813 3.163 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183880850 186227223 /nfs/dbraw/zinc/22/72/23/186227223.db2.gz PJOPRMTZLNENAP-HIFRSBDPSA-N 1 1 320.389 3.131 10 5 DGBEMO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)c2ccccc2)c(Cl)c1 ZINC000063001909 184265424 /nfs/dbraw/zinc/26/54/24/184265424.db2.gz KHHBEELOMIIDCO-OAHLLOKOSA-N 1 1 306.749 3.071 10 5 DGBEMO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCc1ncc(C)s1 ZINC000157532141 197193686 /nfs/dbraw/zinc/19/36/86/197193686.db2.gz UVNWWDUMHVTTBD-UHFFFAOYSA-N 1 1 321.402 3.043 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000470181808 533383271 /nfs/dbraw/zinc/38/32/71/533383271.db2.gz HDHZTLGEYDYRCA-PVLDGPILSA-N 1 1 317.433 3.413 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000470181808 533383292 /nfs/dbraw/zinc/38/32/92/533383292.db2.gz HDHZTLGEYDYRCA-PVLDGPILSA-N 1 1 317.433 3.413 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000470181808 533383294 /nfs/dbraw/zinc/38/32/94/533383294.db2.gz HDHZTLGEYDYRCA-PVLDGPILSA-N 1 1 317.433 3.413 10 5 DGBEMO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000468738313 533384223 /nfs/dbraw/zinc/38/42/23/533384223.db2.gz HAEUOKOQGMIJLP-FFXRNRBCSA-N 1 1 314.389 3.250 10 5 DGBEMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000185332296 165000417 /nfs/dbraw/zinc/00/04/17/165000417.db2.gz IZLYVUAIVZEKCB-ZDUSSCGKSA-N 1 1 300.786 3.087 10 5 DGBEMO O=[N+]([O-])c1cccc(C[NH+]2CCC(Nc3nccs3)CC2)c1 ZINC000189951544 165184811 /nfs/dbraw/zinc/18/48/11/165184811.db2.gz DYMIMCLOLHYNBX-UHFFFAOYSA-N 1 1 318.402 3.128 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193858036 165333846 /nfs/dbraw/zinc/33/38/46/165333846.db2.gz OOMYVOWGDPYMLZ-OCCSQVGLSA-N 1 1 300.362 3.259 10 5 DGBEMO Cn1cc([C@@H]2CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000131832703 196202680 /nfs/dbraw/zinc/20/26/80/196202680.db2.gz DNOXMRDQTXQDOC-RRGWEWPQSA-N 1 1 312.373 3.179 10 5 DGBEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000193642950 263797979 /nfs/dbraw/zinc/79/79/79/263797979.db2.gz WRYUYRGGYBWIOL-VXGBXAGGSA-N 1 1 317.345 3.174 10 5 DGBEMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000072897667 431355205 /nfs/dbraw/zinc/35/52/05/431355205.db2.gz XIAASLOYXKCVSU-NWDGAFQWSA-N 1 1 316.361 3.265 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114202538 431378120 /nfs/dbraw/zinc/37/81/20/431378120.db2.gz XTRWUKYKAZUBFF-MRXNPFEDSA-N 1 1 300.362 3.088 10 5 DGBEMO CC1(C)CCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000077382829 431590278 /nfs/dbraw/zinc/59/02/78/431590278.db2.gz HRTWXIJKMGUOEE-UHFFFAOYSA-N 1 1 302.334 3.019 10 5 DGBEMO Cc1ccc([C@H](C)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000090217382 431890031 /nfs/dbraw/zinc/89/00/31/431890031.db2.gz PFJDEBPVEFPYHZ-OFQRWUPVSA-N 1 1 305.422 3.283 10 5 DGBEMO Cc1ccc([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000090217382 431890033 /nfs/dbraw/zinc/89/00/33/431890033.db2.gz PFJDEBPVEFPYHZ-OFQRWUPVSA-N 1 1 305.422 3.283 10 5 DGBEMO CC(C)C[C@H](CN(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963692 431945365 /nfs/dbraw/zinc/94/53/65/431945365.db2.gz KHABQXMBTJKSCY-CYBMUJFWSA-N 1 1 313.829 3.314 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248666316 432311549 /nfs/dbraw/zinc/31/15/49/432311549.db2.gz WNZQKYDUOOSPFD-DOTOQJQBSA-N 1 1 304.390 3.030 10 5 DGBEMO CC[N@H+]1CCC[C@H]1CN(C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254970078 432406511 /nfs/dbraw/zinc/40/65/11/432406511.db2.gz LBEIPCIPWKNQPM-HWYHOQROSA-N 1 1 303.406 3.024 10 5 DGBEMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000154942027 432530186 /nfs/dbraw/zinc/53/01/86/432530186.db2.gz XPRQQTAYDPUSKC-LBPRGKRZSA-N 1 1 307.369 3.187 10 5 DGBEMO C[C@H]1CCC[N@H+]1C1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000154945573 432530587 /nfs/dbraw/zinc/53/05/87/432530587.db2.gz OBCAWGWAQQRVHN-LBPRGKRZSA-N 1 1 307.369 3.187 10 5 DGBEMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000177054402 432580198 /nfs/dbraw/zinc/58/01/98/432580198.db2.gz SSJORMJBRZAGMM-NWDGAFQWSA-N 1 1 311.345 3.049 10 5 DGBEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178292159 432717300 /nfs/dbraw/zinc/71/73/00/432717300.db2.gz WQJBPLXMJGRTAZ-GUYCJALGSA-N 1 1 314.389 3.325 10 5 DGBEMO CO[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@@H]1C ZINC000189334186 432777072 /nfs/dbraw/zinc/77/70/72/432777072.db2.gz VRECYKDYMWPNBZ-GUYCJALGSA-N 1 1 322.405 3.239 10 5 DGBEMO CO[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@@H]1C ZINC000189334186 432777075 /nfs/dbraw/zinc/77/70/75/432777075.db2.gz VRECYKDYMWPNBZ-GUYCJALGSA-N 1 1 322.405 3.239 10 5 DGBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[N@H+](C2CC2)CC1 ZINC000302823248 433872847 /nfs/dbraw/zinc/87/28/47/433872847.db2.gz LBQJZXNFABOFHX-UHFFFAOYSA-N 1 1 309.797 3.231 10 5 DGBEMO C[C@H]1[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CCC12CCOCC2 ZINC000408204612 434552102 /nfs/dbraw/zinc/55/21/02/434552102.db2.gz OGXRYYVVWZWZNY-GFCCVEGCSA-N 1 1 308.353 3.125 10 5 DGBEMO Cn1ccnc1[C@@H]([NH2+]CCCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000570150314 315628200 /nfs/dbraw/zinc/62/82/00/315628200.db2.gz XGSQPKXXBQSPMB-INIZCTEOSA-N 1 1 314.389 3.198 10 5 DGBEMO C[N@H+](CCOc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193647003 659711232 /nfs/dbraw/zinc/71/12/32/659711232.db2.gz FOHWZHYNFCIPKC-UHFFFAOYSA-N 1 1 304.321 3.245 10 5 DGBEMO C[N@@H+](CCOc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193647003 659711234 /nfs/dbraw/zinc/71/12/34/659711234.db2.gz FOHWZHYNFCIPKC-UHFFFAOYSA-N 1 1 304.321 3.245 10 5 DGBEMO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@H+]1Cc1ccccc1 ZINC000066347935 432015215 /nfs/dbraw/zinc/01/52/15/432015215.db2.gz KVVHLVWUCHNLKS-OAHLLOKOSA-N 1 1 311.385 3.306 10 5 DGBEMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174475298 198339824 /nfs/dbraw/zinc/33/98/24/198339824.db2.gz YQWSRZAAPDRBCY-NEPJUHHUSA-N 1 1 306.362 3.082 10 5 DGBEMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093638945 193278075 /nfs/dbraw/zinc/27/80/75/193278075.db2.gz IPYSIQWIIJLGJM-GDBMZVCRSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093638945 193278083 /nfs/dbraw/zinc/27/80/83/193278083.db2.gz IPYSIQWIIJLGJM-GDBMZVCRSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000093638945 193278085 /nfs/dbraw/zinc/27/80/85/193278085.db2.gz IPYSIQWIIJLGJM-GDBMZVCRSA-N 1 1 305.422 3.065 10 5 DGBEMO C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H](C)C1 ZINC000246590962 432147688 /nfs/dbraw/zinc/14/76/88/432147688.db2.gz GROMNASWMZYMFM-OLZOCXBDSA-N 1 1 320.389 3.329 10 5 DGBEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000106221101 194191353 /nfs/dbraw/zinc/19/13/53/194191353.db2.gz REQODQSZQBNTEA-MRXNPFEDSA-N 1 1 314.389 3.245 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000470207511 533383474 /nfs/dbraw/zinc/38/34/74/533383474.db2.gz ORIZHGLUZBHDCG-GBHLFSRUSA-N 1 1 304.390 3.233 10 5 DGBEMO CC[N@@H+](CCO)[C@@H]1C=CC(/C=C/c2ccc([N+](=O)[O-])cc2)=CC1 ZINC000096346905 400275417 /nfs/dbraw/zinc/27/54/17/400275417.db2.gz JBXMOMCJZXCJFP-REMYHPOOSA-N 1 1 314.385 3.177 10 5 DGBEMO COc1ccccc1CC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000104708910 400315765 /nfs/dbraw/zinc/31/57/65/400315765.db2.gz CEJNWYQYFXOUPX-UHFFFAOYSA-N 1 1 314.385 3.320 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194734168 165354447 /nfs/dbraw/zinc/35/44/47/165354447.db2.gz UPPDBTLGHOKTOW-OAHLLOKOSA-N 1 1 317.433 3.464 10 5 DGBEMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076150423 431532471 /nfs/dbraw/zinc/53/24/71/431532471.db2.gz DYTABXKOOGZTOM-NEPJUHHUSA-N 1 1 316.361 3.265 10 5 DGBEMO CC[C@@H]([NH2+][C@H](C)c1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000188114490 280196436 /nfs/dbraw/zinc/19/64/36/280196436.db2.gz MDMJQSFWVTYBJY-IUODEOHRSA-N 1 1 300.362 3.495 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000055058554 431975641 /nfs/dbraw/zinc/97/56/41/431975641.db2.gz QIHSUZNSXDAQJT-GFCCVEGCSA-N 1 1 308.378 3.319 10 5 DGBEMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183375858 432286136 /nfs/dbraw/zinc/28/61/36/432286136.db2.gz RGAZJPSVZWKCOI-OAHLLOKOSA-N 1 1 305.422 3.067 10 5 DGBEMO C[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccc(F)c1 ZINC000176288042 432507697 /nfs/dbraw/zinc/50/76/97/432507697.db2.gz XOHXFHQNNPHPAQ-LRDDRELGSA-N 1 1 318.352 3.014 10 5 DGBEMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187952795 432695301 /nfs/dbraw/zinc/69/53/01/432695301.db2.gz UORSZWWMUBSBOP-XHDPSFHLSA-N 1 1 312.797 3.231 10 5 DGBEMO Cc1c(NC(=O)CC[N@H+]2CCCC23CCC3)cccc1[N+](=O)[O-] ZINC000373097798 433090935 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10 5 DGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000156992366 527349244 /nfs/dbraw/zinc/34/92/44/527349244.db2.gz HGXFYEWWCMHVSK-ZDUSSCGKSA-N 1 1 303.387 3.431 10 5 DGBEMO CCOc1cc(N2C[C@H]3CCC[N@H+]3C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000301968558 528314060 /nfs/dbraw/zinc/31/40/60/528314060.db2.gz YQFBLZJOIOLMLI-DZGCQCFKSA-N 1 1 319.405 3.057 10 5 DGBEMO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037166928 661217396 /nfs/dbraw/zinc/21/73/96/661217396.db2.gz GDZFHCUDRDOPCY-CYBMUJFWSA-N 1 1 313.829 3.314 10 5 DGBEMO COc1ccccc1CC[N@@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170920901 659247738 /nfs/dbraw/zinc/24/77/38/659247738.db2.gz CLPWPZBANGWLPI-UHFFFAOYSA-N 1 1 318.348 3.417 10 5 DGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000248025909 662332550 /nfs/dbraw/zinc/33/25/50/662332550.db2.gz PAZSJIOIOWOFJF-BBRMVZONSA-N 1 1 324.808 3.375 10 5 DGBEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000092628259 662333587 /nfs/dbraw/zinc/33/35/87/662333587.db2.gz IIYNFMXRWSRJON-AWEZNQCLSA-N 1 1 311.813 3.164 10 5 DGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000065208702 432011065 /nfs/dbraw/zinc/01/10/65/432011065.db2.gz QIGSDRDTOCHIRP-NSHDSACASA-N 1 1 318.295 3.248 10 5 DGBEMO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[C@H]1CC=CCC1 ZINC000444681260 530023441 /nfs/dbraw/zinc/02/34/41/530023441.db2.gz TUBPQFZTAMNWJD-LBPRGKRZSA-N 1 1 300.362 3.259 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000072981248 191264016 /nfs/dbraw/zinc/26/40/16/191264016.db2.gz MZODIGWTAHCBTL-ZBFHGGJFSA-N 1 1 305.422 3.462 10 5 DGBEMO C[N@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000081598285 192298307 /nfs/dbraw/zinc/29/83/07/192298307.db2.gz QQRJUJMVKGKBRG-UHFFFAOYSA-N 1 1 309.435 3.107 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000470217374 244159576 /nfs/dbraw/zinc/15/95/76/244159576.db2.gz YYTKPLGRRAIEAP-VEMDQMBVSA-N 1 1 302.374 3.109 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000470217374 244159580 /nfs/dbraw/zinc/15/95/80/244159580.db2.gz YYTKPLGRRAIEAP-VEMDQMBVSA-N 1 1 302.374 3.109 10 5 DGBEMO C[C@H]1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H](C)O1 ZINC000127036213 284325311 /nfs/dbraw/zinc/32/53/11/284325311.db2.gz HKNPKZAZBMZJGY-STQMWFEESA-N 1 1 316.357 3.464 10 5 DGBEMO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000246423655 432128814 /nfs/dbraw/zinc/12/88/14/432128814.db2.gz CGSGRTWAFHLXHU-DZGCQCFKSA-N 1 1 321.446 3.105 10 5 DGBEMO CC[N@H+]1CCC[C@@H]1CN(C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000175167942 252688243 /nfs/dbraw/zinc/68/82/43/252688243.db2.gz CIZFFFLUOBVBDO-CYBMUJFWSA-N 1 1 314.389 3.064 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000470182601 533406921 /nfs/dbraw/zinc/40/69/21/533406921.db2.gz MEKFYCCQDOHABD-YHWWFLPASA-N 1 1 316.401 3.499 10 5 DGBEMO CC(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000069000795 400303949 /nfs/dbraw/zinc/30/39/49/400303949.db2.gz JRSVIRKDNCHYLW-LBPRGKRZSA-N 1 1 300.362 3.038 10 5 DGBEMO C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000611518052 400414078 /nfs/dbraw/zinc/41/40/78/400414078.db2.gz FDITVEIGXRUBFP-KGLIPLIRSA-N 1 1 304.390 3.374 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000612144575 400499261 /nfs/dbraw/zinc/49/92/61/400499261.db2.gz HRYIFNNTRCTSEI-AWEZNQCLSA-N 1 1 317.389 3.130 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000612144576 400499337 /nfs/dbraw/zinc/49/93/37/400499337.db2.gz HRYIFNNTRCTSEI-CQSZACIVSA-N 1 1 317.389 3.130 10 5 DGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193858022 165333029 /nfs/dbraw/zinc/33/30/29/165333029.db2.gz OOMYVOWGDPYMLZ-JSGCOSHPSA-N 1 1 300.362 3.259 10 5 DGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000191271062 432242406 /nfs/dbraw/zinc/24/24/06/432242406.db2.gz JVXGBSFHSYSRPU-CHWSQXEVSA-N 1 1 322.405 3.116 10 5 DGBEMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000123476595 431866408 /nfs/dbraw/zinc/86/64/08/431866408.db2.gz ZQUFCFJDIFKUON-JTQLQIEISA-N 1 1 320.370 3.278 10 5 DGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152503688 432337136 /nfs/dbraw/zinc/33/71/36/432337136.db2.gz UBEBNUSDLHJSBW-GUYCJALGSA-N 1 1 313.357 3.204 10 5 DGBEMO CCc1ccc([C@H]2CCCC[N@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174874107 432375639 /nfs/dbraw/zinc/37/56/39/432375639.db2.gz BEQXODAWOYAHQL-OAHLLOKOSA-N 1 1 318.377 3.174 10 5 DGBEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000193642688 432487981 /nfs/dbraw/zinc/48/79/81/432487981.db2.gz QZQQEQSOAWTZBA-RYUDHWBXSA-N 1 1 317.345 3.174 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000154892130 432527617 /nfs/dbraw/zinc/52/76/17/432527617.db2.gz LDDNWKJCNPOQMV-CQSZACIVSA-N 1 1 303.406 3.356 10 5 DGBEMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000187952820 432695746 /nfs/dbraw/zinc/69/57/46/432695746.db2.gz UORSZWWMUBSBOP-ABAIWWIYSA-N 1 1 312.797 3.231 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178508607 432745395 /nfs/dbraw/zinc/74/53/95/432745395.db2.gz SVSOTLWMVGXBDU-OCCSQVGLSA-N 1 1 320.389 3.319 10 5 DGBEMO CCCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245201309 432824647 /nfs/dbraw/zinc/82/46/47/432824647.db2.gz PWJVHMJNFXCKKB-HIFRSBDPSA-N 1 1 319.405 3.037 10 5 DGBEMO CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245201309 432824650 /nfs/dbraw/zinc/82/46/50/432824650.db2.gz PWJVHMJNFXCKKB-HIFRSBDPSA-N 1 1 319.405 3.037 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000301485600 433574485 /nfs/dbraw/zinc/57/44/85/433574485.db2.gz WQOJXRKBCSZCJR-ZBFHGGJFSA-N 1 1 303.406 3.355 10 5 DGBEMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000537962983 435475943 /nfs/dbraw/zinc/47/59/43/435475943.db2.gz TUHWNLGYGVSSED-DGCLKSJQSA-N 1 1 302.378 3.217 10 5 DGBEMO C[C@@H]1C[C@H](C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCO1 ZINC000569877735 435569715 /nfs/dbraw/zinc/56/97/15/435569715.db2.gz SOMVOSFXQAPNFP-UKRRQHHQSA-N 1 1 304.390 3.374 10 5 DGBEMO C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000491053595 435699315 /nfs/dbraw/zinc/69/93/15/435699315.db2.gz OITPCFMKZYJOLU-KSSFIOAISA-N 1 1 313.401 3.224 10 5 DGBEMO C[C@H](C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000491053594 435699636 /nfs/dbraw/zinc/69/96/36/435699636.db2.gz OITPCFMKZYJOLU-KDOFPFPSSA-N 1 1 313.401 3.224 10 5 DGBEMO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000157011747 527400995 /nfs/dbraw/zinc/40/09/95/527400995.db2.gz DJDSVZRUNDOSJT-ZDUSSCGKSA-N 1 1 303.387 3.431 10 5 DGBEMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(O)CCCCC1 ZINC000098144216 657939036 /nfs/dbraw/zinc/93/90/36/657939036.db2.gz DSQIWSLIZZPOSY-UHFFFAOYSA-N 1 1 312.797 3.375 10 5 DGBEMO CC[C@H]([NH2+][C@H](C)c1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000188114464 200195641 /nfs/dbraw/zinc/19/56/41/200195641.db2.gz MDMJQSFWVTYBJY-DOMZBBRYSA-N 1 1 300.362 3.495 10 5 DGBEMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000470942585 244195177 /nfs/dbraw/zinc/19/51/77/244195177.db2.gz CRYJEJYHQFVUMX-GXFFZTMASA-N 1 1 318.295 3.246 10 5 DGBEMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000470954856 244198264 /nfs/dbraw/zinc/19/82/64/244198264.db2.gz CWOJUDGWRLVUBD-QWRGUYRKSA-N 1 1 318.295 3.246 10 5 DGBEMO C[C@H]1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H](C)O1 ZINC000127064282 284326008 /nfs/dbraw/zinc/32/60/08/284326008.db2.gz LBJPYUZQMIQSNG-STQMWFEESA-N 1 1 316.357 3.464 10 5 DGBEMO Cn1cc[nH+]c1C[C@@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000610282367 400234378 /nfs/dbraw/zinc/23/43/78/400234378.db2.gz OWCKCTVWROZTRR-CQSZACIVSA-N 1 1 323.356 3.119 10 5 DGBEMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@@H]1CC=CCC1 ZINC000612404386 400540604 /nfs/dbraw/zinc/54/06/04/400540604.db2.gz UVWAIAGLFVAYHV-CYBMUJFWSA-N 1 1 318.373 3.154 10 5 DGBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116294888 431499559 /nfs/dbraw/zinc/49/95/59/431499559.db2.gz ZMXXBASOFJQVMJ-CYBMUJFWSA-N 1 1 302.330 3.404 10 5 DGBEMO Cc1cccc(NC2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH+]1 ZINC000301289522 281243771 /nfs/dbraw/zinc/24/37/71/281243771.db2.gz NDBISWNGCVWXJC-UHFFFAOYSA-N 1 1 312.373 3.379 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000183349539 432285124 /nfs/dbraw/zinc/28/51/24/432285124.db2.gz LQDRJNVLDFBBAI-MRXNPFEDSA-N 1 1 300.362 3.354 10 5 DGBEMO CC[N@@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1C ZINC000183378883 432287908 /nfs/dbraw/zinc/28/79/08/432287908.db2.gz LQJJSHXWYDNCJP-UHFFFAOYSA-N 1 1 305.403 3.424 10 5 DGBEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183385517 432288101 /nfs/dbraw/zinc/28/81/01/432288101.db2.gz HRDIFMTZSLTKFP-KRWDZBQOSA-N 1 1 314.389 3.073 10 5 DGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000249019362 432334663 /nfs/dbraw/zinc/33/46/63/432334663.db2.gz JVXGBSFHSYSRPU-YWVIFJGQSA-N 1 1 322.405 3.116 10 5 DGBEMO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000249019362 432334666 /nfs/dbraw/zinc/33/46/66/432334666.db2.gz JVXGBSFHSYSRPU-YWVIFJGQSA-N 1 1 322.405 3.116 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249379342 432345978 /nfs/dbraw/zinc/34/59/78/432345978.db2.gz OOMYVOWGDPYMLZ-TZMCWYRMSA-N 1 1 300.362 3.259 10 5 DGBEMO Cc1c([C@@H](C)NCC[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000156621451 432602182 /nfs/dbraw/zinc/60/21/82/432602182.db2.gz NYUMCVGJQVBYQU-DZGCQCFKSA-N 1 1 305.422 3.428 10 5 DGBEMO Cc1c([C@@H](C)NCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000156621451 432602188 /nfs/dbraw/zinc/60/21/88/432602188.db2.gz NYUMCVGJQVBYQU-DZGCQCFKSA-N 1 1 305.422 3.428 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157392498 432618868 /nfs/dbraw/zinc/61/88/68/432618868.db2.gz RFRAOCSVOITXAB-OAHLLOKOSA-N 1 1 318.398 3.272 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000157392498 432618872 /nfs/dbraw/zinc/61/88/72/432618872.db2.gz RFRAOCSVOITXAB-OAHLLOKOSA-N 1 1 318.398 3.272 10 5 DGBEMO O=C(C[N@@H+]1CCCC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000373101556 433091702 /nfs/dbraw/zinc/09/17/02/433091702.db2.gz WLKOCURWFVEBCY-UHFFFAOYSA-N 1 1 323.780 3.205 10 5 DGBEMO O=C(C[N@H+]1CCCC12CCC2)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000373101556 433091709 /nfs/dbraw/zinc/09/17/09/433091709.db2.gz WLKOCURWFVEBCY-UHFFFAOYSA-N 1 1 323.780 3.205 10 5 DGBEMO Cc1cnc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000309910023 434101169 /nfs/dbraw/zinc/10/11/69/434101169.db2.gz ROFFNCHYQPBHNC-AWEZNQCLSA-N 1 1 314.389 3.231 10 5 DGBEMO C[C@H](Nc1ccc([N+](=O)[O-])nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450435235 434178416 /nfs/dbraw/zinc/17/84/16/434178416.db2.gz OUTBXPXGOYYIED-QWHCGFSZSA-N 1 1 304.394 3.055 10 5 DGBEMO CC(=O)c1cc(NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000286303281 434226551 /nfs/dbraw/zinc/22/65/51/434226551.db2.gz YNHAMJKJUYHOFN-GFCCVEGCSA-N 1 1 305.378 3.084 10 5 DGBEMO CCOc1cc(N2C[C@@H]3CCC[N@H+]3C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000301968561 528313732 /nfs/dbraw/zinc/31/37/32/528313732.db2.gz YQFBLZJOIOLMLI-ZFWWWQNUSA-N 1 1 319.405 3.057 10 5 DGBEMO Cc1cc(C)cc([C@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000174724945 659541186 /nfs/dbraw/zinc/54/11/86/659541186.db2.gz LUFVAGYZVLTLJZ-GOSISDBHSA-N 1 1 314.385 3.377 10 5 DGBEMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182278433 660040051 /nfs/dbraw/zinc/04/00/51/660040051.db2.gz OIGWHLPDNQPQOG-SNVBAGLBSA-N 1 1 318.304 3.313 10 5 DGBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000092628270 662333513 /nfs/dbraw/zinc/33/35/13/662333513.db2.gz HPQHCLXSXOAXGT-CYBMUJFWSA-N 1 1 311.813 3.164 10 5 DGBEMO C[C@@H]1[C@H](Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309883243 231107328 /nfs/dbraw/zinc/10/73/28/231107328.db2.gz KGDBLVORHUVZRX-UKRRQHHQSA-N 1 1 312.373 3.065 10 5 DGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000246217372 432109460 /nfs/dbraw/zinc/10/94/60/432109460.db2.gz CZRUQDLOMYHWFR-GJZGRUSLSA-N 1 1 302.330 3.058 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246278911 432115714 /nfs/dbraw/zinc/11/57/14/432115714.db2.gz UBEBNUSDLHJSBW-CXAGYDPISA-N 1 1 313.357 3.204 10 5 DGBEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000470942588 244197154 /nfs/dbraw/zinc/19/71/54/244197154.db2.gz CRYJEJYHQFVUMX-ZWNOBZJWSA-N 1 1 318.295 3.246 10 5 DGBEMO C[C@@H]1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H](C)O1 ZINC000127036483 284325317 /nfs/dbraw/zinc/32/53/17/284325317.db2.gz HKNPKZAZBMZJGY-CHWSQXEVSA-N 1 1 316.357 3.464 10 5 DGBEMO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000056494636 184013886 /nfs/dbraw/zinc/01/38/86/184013886.db2.gz XOOWINUPVVITSH-DLBZAZTESA-N 1 1 320.389 3.007 10 5 DGBEMO Cc1cnc(CC[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000157512137 197192778 /nfs/dbraw/zinc/19/27/78/197192778.db2.gz IWWPXFXIOWOSNH-UHFFFAOYSA-N 1 1 305.403 3.343 10 5 DGBEMO CC(C)(C)Oc1cc(N2CC[N@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000611203257 400358386 /nfs/dbraw/zinc/35/83/86/400358386.db2.gz KHVGXVIJSDTJRR-CQSZACIVSA-N 1 1 319.405 3.057 10 5 DGBEMO C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000611518054 400413716 /nfs/dbraw/zinc/41/37/16/400413716.db2.gz FDITVEIGXRUBFP-ZIAGYGMSSA-N 1 1 304.390 3.374 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000600208276 401222447 /nfs/dbraw/zinc/22/24/47/401222447.db2.gz PNOJNJYPFKQZMT-ZAWBGVFASA-N 1 1 316.401 3.093 10 5 DGBEMO Cc1c([C@H](C)NCC[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000247063955 432198923 /nfs/dbraw/zinc/19/89/23/432198923.db2.gz NYUMCVGJQVBYQU-HIFRSBDPSA-N 1 1 305.422 3.428 10 5 DGBEMO Cc1c([C@H](C)NCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000247063955 432198926 /nfs/dbraw/zinc/19/89/26/432198926.db2.gz NYUMCVGJQVBYQU-HIFRSBDPSA-N 1 1 305.422 3.428 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOCC2(CC2)C1 ZINC000347370625 264209281 /nfs/dbraw/zinc/20/92/81/264209281.db2.gz BEBMARKGHNCQKF-ZROIWOOFSA-N 1 1 302.374 3.111 10 5 DGBEMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC000245916383 275035326 /nfs/dbraw/zinc/03/53/26/275035326.db2.gz RXPPQZKSTOLVQV-HOTGVXAUSA-N 1 1 322.430 3.081 10 5 DGBEMO O=[N+]([O-])c1cccc2c1ccnc2N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000450294610 275039645 /nfs/dbraw/zinc/03/96/45/275039645.db2.gz PNUKPMSVNDOJGA-UHFFFAOYSA-N 1 1 323.356 3.250 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114202542 431379142 /nfs/dbraw/zinc/37/91/42/431379142.db2.gz XTRWUKYKAZUBFF-INIZCTEOSA-N 1 1 300.362 3.088 10 5 DGBEMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000119407202 431688435 /nfs/dbraw/zinc/68/84/35/431688435.db2.gz ULSGUXUBCTXWJM-LLVKDONJSA-N 1 1 306.387 3.425 10 5 DGBEMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183375833 432286588 /nfs/dbraw/zinc/28/65/88/432286588.db2.gz RGAZJPSVZWKCOI-HNNXBMFYSA-N 1 1 305.422 3.067 10 5 DGBEMO Cc1c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cccc1[N+](=O)[O-] ZINC000173932045 432308634 /nfs/dbraw/zinc/30/86/34/432308634.db2.gz IWFMQRNFTBWJPX-SJORKVTESA-N 1 1 317.433 3.350 10 5 DGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000154318830 432491173 /nfs/dbraw/zinc/49/11/73/432491173.db2.gz CZRUQDLOMYHWFR-HUUCEWRRSA-N 1 1 302.330 3.058 10 5 DGBEMO CC[N@H+]1CCC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000194380656 432545976 /nfs/dbraw/zinc/54/59/76/432545976.db2.gz USLJODVOBBXYOU-GFCCVEGCSA-N 1 1 300.362 3.039 10 5 DGBEMO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000177054413 432579402 /nfs/dbraw/zinc/57/94/02/432579402.db2.gz SSJORMJBRZAGMM-VXGBXAGGSA-N 1 1 311.345 3.049 10 5 DGBEMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000188031802 432700930 /nfs/dbraw/zinc/70/09/30/432700930.db2.gz NURSXPGDEXKWLL-IAQYHMDHSA-N 1 1 312.797 3.231 10 5 DGBEMO COc1cc(NCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000301616853 433641076 /nfs/dbraw/zinc/64/10/76/433641076.db2.gz KAWAUBYGAPSGID-LLVKDONJSA-N 1 1 311.357 3.029 10 5 DGBEMO COc1cc(NC[C@H]2CCC[N@H+]2CC(C)C)ccc1[N+](=O)[O-] ZINC000301780886 433719004 /nfs/dbraw/zinc/71/90/04/433719004.db2.gz RUGPCJGHPYNYHV-CQSZACIVSA-N 1 1 307.394 3.136 10 5 DGBEMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000178959865 533782023 /nfs/dbraw/zinc/78/20/23/533782023.db2.gz GROMNASWMZYMFM-CHWSQXEVSA-N 1 1 320.389 3.329 10 5 DGBEMO CC[N@@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000302790466 546438503 /nfs/dbraw/zinc/43/85/03/546438503.db2.gz YFABBPQDGRMKHY-NSHDSACASA-N 1 1 317.311 3.144 10 5 DGBEMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182278413 660039947 /nfs/dbraw/zinc/03/99/47/660039947.db2.gz OIGWHLPDNQPQOG-JTQLQIEISA-N 1 1 318.304 3.313 10 5 DGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000246318696 662253994 /nfs/dbraw/zinc/25/39/94/662253994.db2.gz RKMPFMWFJYPLNS-ZWKOTPCHSA-N 1 1 316.401 3.451 10 5 DGBEMO C[C@H]1[C@@H](Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309883244 231108501 /nfs/dbraw/zinc/10/85/01/231108501.db2.gz KGDBLVORHUVZRX-ZFWWWQNUSA-N 1 1 312.373 3.065 10 5 DGBEMO Cc1ccc([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000090217384 185287017 /nfs/dbraw/zinc/28/70/17/185287017.db2.gz PFJDEBPVEFPYHZ-DZKIICNBSA-N 1 1 305.422 3.283 10 5 DGBEMO Cc1ccc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000090217384 185287018 /nfs/dbraw/zinc/28/70/18/185287018.db2.gz PFJDEBPVEFPYHZ-DZKIICNBSA-N 1 1 305.422 3.283 10 5 DGBEMO CC[N@H+]1CC[C@H](N(C)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000174771543 198382792 /nfs/dbraw/zinc/38/27/92/198382792.db2.gz IIJPSWOQHYXWQY-CJNGLKHVSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000174771543 198382799 /nfs/dbraw/zinc/38/27/99/198382799.db2.gz IIJPSWOQHYXWQY-CJNGLKHVSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000174771543 198382800 /nfs/dbraw/zinc/38/28/00/198382800.db2.gz IIJPSWOQHYXWQY-CJNGLKHVSA-N 1 1 305.422 3.065 10 5 DGBEMO CC[C@H]([NH2+][C@@H](C)c1nccnc1C)c1cccc([N+](=O)[O-])c1 ZINC000188114417 200195573 /nfs/dbraw/zinc/19/55/73/200195573.db2.gz MDMJQSFWVTYBJY-WFASDCNBSA-N 1 1 300.362 3.495 10 5 DGBEMO C[C@@H]1C[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000246313509 432118383 /nfs/dbraw/zinc/11/83/83/432118383.db2.gz QZQVFPQAYQJCAT-FSPWUOQZSA-N 1 1 312.369 3.321 10 5 DGBEMO CC[N@@H+](CCc1nccs1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093764506 193302036 /nfs/dbraw/zinc/30/20/36/193302036.db2.gz OXEBMENOXFAQTB-UHFFFAOYSA-N 1 1 305.403 3.424 10 5 DGBEMO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])c3cnccc32)CC[N@H+]1C ZINC000266239352 205208060 /nfs/dbraw/zinc/20/80/60/205208060.db2.gz KYHZLIAIZDVQSD-CHWSQXEVSA-N 1 1 314.389 3.062 10 5 DGBEMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1)C(C)C ZINC000610664855 400286989 /nfs/dbraw/zinc/28/69/89/400286989.db2.gz CKUVALYJIGBOPC-UHFFFAOYSA-N 1 1 302.378 3.010 10 5 DGBEMO O=[N+]([O-])c1cnccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000060375303 401113173 /nfs/dbraw/zinc/11/31/73/401113173.db2.gz VTMQGVFXBWQXID-OAHLLOKOSA-N 1 1 312.373 3.066 10 5 DGBEMO Cc1cc(NC[C@@H]2CCC[N@@H+]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000359913035 286386971 /nfs/dbraw/zinc/38/69/71/286386971.db2.gz PTRFFXTXWMUKSS-JTQLQIEISA-N 1 1 317.311 3.428 10 5 DGBEMO O=[N+]([O-])c1ccc(C[NH+]2CCC(Nc3nccs3)CC2)cc1 ZINC000189951572 165183888 /nfs/dbraw/zinc/18/38/88/165183888.db2.gz VDPOYYFZTOBFAD-UHFFFAOYSA-N 1 1 318.402 3.128 10 5 DGBEMO Cn1cc([C@H]2CCC[N@H+]2C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000131832869 196203178 /nfs/dbraw/zinc/20/31/78/196203178.db2.gz DNOXMRDQTXQDOC-IEXSPKMKSA-N 1 1 312.373 3.179 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCOCC2(CC2)C1 ZINC000347370623 264208592 /nfs/dbraw/zinc/20/85/92/264208592.db2.gz BEBMARKGHNCQKF-NTEUORMPSA-N 1 1 302.374 3.111 10 5 DGBEMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000175152825 432404109 /nfs/dbraw/zinc/40/41/09/432404109.db2.gz XYOTUOBRPSZROO-LRDDRELGSA-N 1 1 318.352 3.014 10 5 DGBEMO CC[N@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000194381033 432546421 /nfs/dbraw/zinc/54/64/21/432546421.db2.gz KKIPFBOJVHBLKP-LBPRGKRZSA-N 1 1 300.362 3.039 10 5 DGBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000302680317 433828047 /nfs/dbraw/zinc/82/80/47/433828047.db2.gz OPXYRSAFDJEFPK-LBPRGKRZSA-N 1 1 309.797 3.231 10 5 DGBEMO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CC[N@H+]2CCCC[C@H]2C1 ZINC000302680317 433828058 /nfs/dbraw/zinc/82/80/58/433828058.db2.gz OPXYRSAFDJEFPK-LBPRGKRZSA-N 1 1 309.797 3.231 10 5 DGBEMO Cn1c2ccc(Nc3ccc([N+](=O)[O-])nc3)cc2[nH+]c1C1CC1 ZINC000450414297 434160698 /nfs/dbraw/zinc/16/06/98/434160698.db2.gz XPZGGVFCOWIVIE-UHFFFAOYSA-N 1 1 309.329 3.498 10 5 DGBEMO C[N@@H+](CCOc1ccc(F)cc1)CCc1cccc([N+](=O)[O-])c1 ZINC000554846162 434948728 /nfs/dbraw/zinc/94/87/28/434948728.db2.gz LQTXEIYDUXOZRM-UHFFFAOYSA-N 1 1 318.348 3.287 10 5 DGBEMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCOCC1 ZINC000535804313 435353565 /nfs/dbraw/zinc/35/35/65/435353565.db2.gz MODFNIGSOPBDDZ-UHFFFAOYSA-N 1 1 316.357 3.466 10 5 DGBEMO Cc1ccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000179960678 323218484 /nfs/dbraw/zinc/21/84/84/323218484.db2.gz JSWXYUOGPRYXCQ-CQSZACIVSA-N 1 1 320.389 3.067 10 5 DGBEMO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000183295098 323332291 /nfs/dbraw/zinc/33/22/91/323332291.db2.gz LXYKUKFMIDVDSM-UHFFFAOYSA-N 1 1 316.357 3.249 10 5 DGBEMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000183295098 323332294 /nfs/dbraw/zinc/33/22/94/323332294.db2.gz LXYKUKFMIDVDSM-UHFFFAOYSA-N 1 1 316.357 3.249 10 5 DGBEMO Cc1cnc(CC[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)s1 ZINC000183381943 323336141 /nfs/dbraw/zinc/33/61/41/323336141.db2.gz YQGWLDPAGZBXHI-UHFFFAOYSA-N 1 1 305.403 3.343 10 5 DGBEMO CCC[N@H+]1CCC[C@H]1c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000443085035 528237504 /nfs/dbraw/zinc/23/75/04/528237504.db2.gz IULALXCVZODVRH-ZDUSSCGKSA-N 1 1 302.334 3.192 10 5 DGBEMO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)n2C ZINC000187591576 200131945 /nfs/dbraw/zinc/13/19/45/200131945.db2.gz IGJOGUNSVFHDAD-UHFFFAOYSA-N 1 1 324.384 3.388 10 5 DGBEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000470954855 244198368 /nfs/dbraw/zinc/19/83/68/244198368.db2.gz CWOJUDGWRLVUBD-MNOVXSKESA-N 1 1 318.295 3.246 10 5 DGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000246352588 432122182 /nfs/dbraw/zinc/12/21/82/432122182.db2.gz WFRXJXUIGRLSET-FUHWJXTLSA-N 1 1 312.369 3.118 10 5 DGBEMO Cc1c([C@H](C)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000246398409 432126767 /nfs/dbraw/zinc/12/67/67/432126767.db2.gz LNLBKCSAPGHWJF-IVMMDQJWSA-N 1 1 305.422 3.283 10 5 DGBEMO Cc1c([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000246398409 432126773 /nfs/dbraw/zinc/12/67/73/432126773.db2.gz LNLBKCSAPGHWJF-IVMMDQJWSA-N 1 1 305.422 3.283 10 5 DGBEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000105896463 194161385 /nfs/dbraw/zinc/16/13/85/194161385.db2.gz KEIYHVHDXWHPOD-MRXNPFEDSA-N 1 1 314.389 3.191 10 5 DGBEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000105896455 194162780 /nfs/dbraw/zinc/16/27/80/194162780.db2.gz KDDNDPHHZIJRFO-INIZCTEOSA-N 1 1 314.389 3.191 10 5 DGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000269055369 207204602 /nfs/dbraw/zinc/20/46/02/207204602.db2.gz SCHBZGAQHGMPPT-KEYYUXOJSA-N 1 1 304.390 3.283 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000470173586 533383691 /nfs/dbraw/zinc/38/36/91/533383691.db2.gz CYYADEYOGJCEKM-RXEWJAMOSA-N 1 1 315.417 3.167 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000470173586 533383697 /nfs/dbraw/zinc/38/36/97/533383697.db2.gz CYYADEYOGJCEKM-RXEWJAMOSA-N 1 1 315.417 3.167 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000470173586 533383701 /nfs/dbraw/zinc/38/37/01/533383701.db2.gz CYYADEYOGJCEKM-RXEWJAMOSA-N 1 1 315.417 3.167 10 5 DGBEMO O=[N+]([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000113877274 400382180 /nfs/dbraw/zinc/38/21/80/400382180.db2.gz JGEJNSUYFKBRNM-WBVHZDCISA-N 1 1 300.333 3.070 10 5 DGBEMO O=[N+]([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000113877274 400382184 /nfs/dbraw/zinc/38/21/84/400382184.db2.gz JGEJNSUYFKBRNM-WBVHZDCISA-N 1 1 300.333 3.070 10 5 DGBEMO C[C@H]1C[C@@H](C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CCO1 ZINC000611518049 400414289 /nfs/dbraw/zinc/41/42/89/400414289.db2.gz FDITVEIGXRUBFP-KBPBESRZSA-N 1 1 304.390 3.374 10 5 DGBEMO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C[C@H]1CC=CCC1 ZINC000612404387 400540899 /nfs/dbraw/zinc/54/08/99/400540899.db2.gz UVWAIAGLFVAYHV-ZDUSSCGKSA-N 1 1 318.373 3.154 10 5 DGBEMO Cc1cnc(CC[N@@H+](C)Cc2c(F)cccc2[N+](=O)[O-])s1 ZINC000157788696 400719876 /nfs/dbraw/zinc/71/98/76/400719876.db2.gz JMDOXQXDDPGNEC-UHFFFAOYSA-N 1 1 309.366 3.173 10 5 DGBEMO Cc1cnc(CC[N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])s1 ZINC000157788696 400719878 /nfs/dbraw/zinc/71/98/78/400719878.db2.gz JMDOXQXDDPGNEC-UHFFFAOYSA-N 1 1 309.366 3.173 10 5 DGBEMO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Nc2nccs2)CC1 ZINC000189955907 165184130 /nfs/dbraw/zinc/18/41/30/165184130.db2.gz JQNKUVFFYPPEOX-UHFFFAOYSA-N 1 1 318.402 3.128 10 5 DGBEMO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182294559 432175699 /nfs/dbraw/zinc/17/56/99/432175699.db2.gz WNTLBDMAOLDZDU-SNVBAGLBSA-N 1 1 318.304 3.313 10 5 DGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000128512703 227009158 /nfs/dbraw/zinc/00/91/58/227009158.db2.gz OERRFIXYULUQPN-CJNGLKHVSA-N 1 1 324.808 3.375 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247962764 432255746 /nfs/dbraw/zinc/25/57/46/432255746.db2.gz GKGWBQGWMJORQE-KMFMINBZSA-N 1 1 303.406 3.072 10 5 DGBEMO Cc1cn2c([nH+]1)CC[C@H](Nc1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000112078599 431245502 /nfs/dbraw/zinc/24/55/02/431245502.db2.gz CNQDHIBFSJMKCJ-LBPRGKRZSA-N 1 1 323.356 3.075 10 5 DGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128478926 431994997 /nfs/dbraw/zinc/99/49/97/431994997.db2.gz LNRQPIAFLUPQAO-CJNGLKHVSA-N 1 1 324.808 3.375 10 5 DGBEMO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128478926 431994998 /nfs/dbraw/zinc/99/49/98/431994998.db2.gz LNRQPIAFLUPQAO-CJNGLKHVSA-N 1 1 324.808 3.375 10 5 DGBEMO C[C@@H]1C[C@H](N(C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000154016207 432465338 /nfs/dbraw/zinc/46/53/38/432465338.db2.gz ATSNPRRHYOXJGS-DGCLKSJQSA-N 1 1 311.813 3.163 10 5 DGBEMO C[C@H]1CCC[N@H+]1C1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000154963648 432531795 /nfs/dbraw/zinc/53/17/95/432531795.db2.gz VONPKIIVCPWDID-NSHDSACASA-N 1 1 324.812 3.096 10 5 DGBEMO CO[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1C ZINC000189334166 432777773 /nfs/dbraw/zinc/77/77/73/432777773.db2.gz VRECYKDYMWPNBZ-DYVFJYSZSA-N 1 1 322.405 3.239 10 5 DGBEMO CO[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1C ZINC000189334166 432777775 /nfs/dbraw/zinc/77/77/75/432777775.db2.gz VRECYKDYMWPNBZ-DYVFJYSZSA-N 1 1 322.405 3.239 10 5 DGBEMO Cc1c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000178523310 432746266 /nfs/dbraw/zinc/74/62/66/432746266.db2.gz PDYVCPNPVQAPOP-AWEZNQCLSA-N 1 1 320.389 3.067 10 5 DGBEMO Cc1c(NC(=O)CC[N@H+]2C[C@@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245434277 432830446 /nfs/dbraw/zinc/83/04/46/432830446.db2.gz CEWYYWYRDBXMBJ-QWHCGFSZSA-N 1 1 319.405 3.352 10 5 DGBEMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245724946 432859539 /nfs/dbraw/zinc/85/95/39/432859539.db2.gz IPYSIQWIIJLGJM-GOEBONIOSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245724946 432859541 /nfs/dbraw/zinc/85/95/41/432859541.db2.gz IPYSIQWIIJLGJM-GOEBONIOSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245724946 432859542 /nfs/dbraw/zinc/85/95/42/432859542.db2.gz IPYSIQWIIJLGJM-GOEBONIOSA-N 1 1 305.422 3.065 10 5 DGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ncc(Cl)cc1[N+](=O)[O-] ZINC000301769198 433717082 /nfs/dbraw/zinc/71/70/82/433717082.db2.gz JPWIRBULDCMZIM-GFCCVEGCSA-N 1 1 312.801 3.176 10 5 DGBEMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n[nH]1 ZINC000537962982 435476083 /nfs/dbraw/zinc/47/60/83/435476083.db2.gz TUHWNLGYGVSSED-AAEUAGOBSA-N 1 1 302.378 3.217 10 5 DGBEMO CC[N@H+]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000180994267 323243293 /nfs/dbraw/zinc/24/32/93/323243293.db2.gz RUCNAYSKXBBIME-LLVKDONJSA-N 1 1 315.320 3.092 10 5 DGBEMO O=[N+]([O-])c1ccc(F)cc1NCC[N@@H+]1CCc2sccc2C1 ZINC000302788007 546437803 /nfs/dbraw/zinc/43/78/03/546437803.db2.gz BPIHJXLIGKZBRD-UHFFFAOYSA-N 1 1 321.377 3.266 10 5 DGBEMO O=[N+]([O-])c1ccc(F)cc1NCC[N@H+]1CCc2sccc2C1 ZINC000302788007 546437808 /nfs/dbraw/zinc/43/78/08/546437808.db2.gz BPIHJXLIGKZBRD-UHFFFAOYSA-N 1 1 321.377 3.266 10 5 DGBEMO Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000204297200 576152774 /nfs/dbraw/zinc/15/27/74/576152774.db2.gz FVISKQNMGQMYIC-CQSZACIVSA-N 1 1 303.406 3.356 10 5 DGBEMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128761265 625221886 /nfs/dbraw/zinc/22/18/86/625221886.db2.gz DMNZUSIAUQPOAI-NWDGAFQWSA-N 1 1 323.368 3.183 10 5 DGBEMO Cc1cc(N[C@@H]2CCC[NH2+][C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000262513592 657655613 /nfs/dbraw/zinc/65/56/13/657655613.db2.gz NEXPQNZKXLZZHS-BXUZGUMPSA-N 1 1 300.362 3.004 10 5 DGBEMO Cc1cc(C)cc([C@@H](O)C[N@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000174724955 659540585 /nfs/dbraw/zinc/54/05/85/659540585.db2.gz LUFVAGYZVLTLJZ-SFHVURJKSA-N 1 1 314.385 3.377 10 5 DGBEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC000188225047 200212289 /nfs/dbraw/zinc/21/22/89/200212289.db2.gz QXCOYSGPEORWAY-AAEUAGOBSA-N 1 1 300.362 3.413 10 5 DGBEMO C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1(CO)CC1 ZINC000188958583 200327227 /nfs/dbraw/zinc/32/72/27/200327227.db2.gz ZRSKLTGSFNKYCQ-UHFFFAOYSA-N 1 1 316.357 3.059 10 5 DGBEMO Cc1nccc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449503604 240250934 /nfs/dbraw/zinc/25/09/34/240250934.db2.gz UKFDTAIWQQABQH-OAHLLOKOSA-N 1 1 312.373 3.073 10 5 DGBEMO C[C@@H](NCC[N@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000343918248 254203036 /nfs/dbraw/zinc/20/30/36/254203036.db2.gz VPCFRRSKPITPCG-OAHLLOKOSA-N 1 1 313.401 3.377 10 5 DGBEMO C[C@@H](NCC[N@@H+](C)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000343918248 254203038 /nfs/dbraw/zinc/20/30/38/254203038.db2.gz VPCFRRSKPITPCG-OAHLLOKOSA-N 1 1 313.401 3.377 10 5 DGBEMO CC(C)Oc1cc(N2CC[C@]3(CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000215977434 400948057 /nfs/dbraw/zinc/94/80/57/400948057.db2.gz QVWJNPIUXQAZGV-QGZVFWFLSA-N 1 1 319.405 3.057 10 5 DGBEMO O=[N+]([O-])[C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1c1ccccc1CC2 ZINC000225911433 400960459 /nfs/dbraw/zinc/96/04/59/400960459.db2.gz YZFQDGILOOBLOO-OALUTQOASA-N 1 1 308.381 3.248 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195340135 165367766 /nfs/dbraw/zinc/36/77/66/165367766.db2.gz JQQLFQQHXJUXJP-CQSZACIVSA-N 1 1 317.414 3.473 10 5 DGBEMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195505624 165372304 /nfs/dbraw/zinc/37/23/04/165372304.db2.gz AEGVBPWELOKLRZ-GFCCVEGCSA-N 1 1 300.362 3.259 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000174009508 432313756 /nfs/dbraw/zinc/31/37/56/432313756.db2.gz WIGXDYUHQKEJAE-OCCSQVGLSA-N 1 1 319.405 3.352 10 5 DGBEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)o1 ZINC000193638601 432487318 /nfs/dbraw/zinc/48/73/18/432487318.db2.gz FASYREFRIYTVMV-GFCCVEGCSA-N 1 1 317.345 3.094 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186479510 432599253 /nfs/dbraw/zinc/59/92/53/432599253.db2.gz UHKIJYTTYNTRIC-UHFFFAOYSA-N 1 1 322.430 3.001 10 5 DGBEMO CC[C@H]([NH2+]Cc1ncc(Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000178449459 432738107 /nfs/dbraw/zinc/73/81/07/432738107.db2.gz MVQGGUAUNHWSLY-LBPRGKRZSA-N 1 1 308.769 3.223 10 5 DGBEMO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245868491 432865956 /nfs/dbraw/zinc/86/59/56/432865956.db2.gz LSCRTQTYMICRCO-LSDHHAIUSA-N 1 1 322.430 3.081 10 5 DGBEMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000374341807 293387086 /nfs/dbraw/zinc/38/70/86/293387086.db2.gz QLLKLNYRFXWXGY-ZDUSSCGKSA-N 1 1 318.764 3.242 10 5 DGBEMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000374341807 293387088 /nfs/dbraw/zinc/38/70/88/293387088.db2.gz QLLKLNYRFXWXGY-ZDUSSCGKSA-N 1 1 318.764 3.242 10 5 DGBEMO Cc1c([C@H](C)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000181282392 199276357 /nfs/dbraw/zinc/27/63/57/199276357.db2.gz LNLBKCSAPGHWJF-DUVNUKRYSA-N 1 1 305.422 3.283 10 5 DGBEMO Cc1c([C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000181282392 199276359 /nfs/dbraw/zinc/27/63/59/199276359.db2.gz LNLBKCSAPGHWJF-DUVNUKRYSA-N 1 1 305.422 3.283 10 5 DGBEMO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000164838035 432052347 /nfs/dbraw/zinc/05/23/47/432052347.db2.gz MQFNOMSLWGRUDB-ZDUSSCGKSA-N 1 1 302.378 3.298 10 5 DGBEMO C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1(CO)CC1 ZINC000188960122 200328376 /nfs/dbraw/zinc/32/83/76/200328376.db2.gz VVNWFRWBKSDLNR-UHFFFAOYSA-N 1 1 316.357 3.059 10 5 DGBEMO COc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000171240314 432114619 /nfs/dbraw/zinc/11/46/19/432114619.db2.gz KBJLATFQHGLKLN-UHFFFAOYSA-N 1 1 321.764 3.284 10 5 DGBEMO COc1ccc(C[N@@H+](C)Cc2ccc(Cl)nc2)cc1[N+](=O)[O-] ZINC000171240314 432114627 /nfs/dbraw/zinc/11/46/27/432114627.db2.gz KBJLATFQHGLKLN-UHFFFAOYSA-N 1 1 321.764 3.284 10 5 DGBEMO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000181260252 432120584 /nfs/dbraw/zinc/12/05/84/432120584.db2.gz IUUJRUUDEBWSHJ-HUUCEWRRSA-N 1 1 315.377 3.071 10 5 DGBEMO CC(C)C[C@@H](C[NH+](C)C)NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105436516 194104483 /nfs/dbraw/zinc/10/44/83/194104483.db2.gz OPPCOVIFBOFNQT-ZDUSSCGKSA-N 1 1 313.829 3.314 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000470217369 533382822 /nfs/dbraw/zinc/38/28/22/533382822.db2.gz YYTKPLGRRAIEAP-GQPJMJRUSA-N 1 1 302.374 3.109 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000470217369 533382824 /nfs/dbraw/zinc/38/28/24/533382824.db2.gz YYTKPLGRRAIEAP-GQPJMJRUSA-N 1 1 302.374 3.109 10 5 DGBEMO CC[N@H+]1CC[C@H](N(C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245786945 401015000 /nfs/dbraw/zinc/01/50/00/401015000.db2.gz VJRRTZZSAQIOLF-OJJSLQOQSA-N 1 1 317.433 3.270 10 5 DGBEMO CCN1CC[C@H]([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245786945 401015052 /nfs/dbraw/zinc/01/50/52/401015052.db2.gz VJRRTZZSAQIOLF-OJJSLQOQSA-N 1 1 317.433 3.270 10 5 DGBEMO CCN1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245786945 401015058 /nfs/dbraw/zinc/01/50/58/401015058.db2.gz VJRRTZZSAQIOLF-OJJSLQOQSA-N 1 1 317.433 3.270 10 5 DGBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000058562960 401060290 /nfs/dbraw/zinc/06/02/90/401060290.db2.gz FJQJFHURKRISRL-NSHDSACASA-N 1 1 318.295 3.248 10 5 DGBEMO COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000191470872 165252545 /nfs/dbraw/zinc/25/25/45/165252545.db2.gz VLDAHDALEJWGQB-OAHLLOKOSA-N 1 1 320.414 3.346 10 5 DGBEMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000191470872 165252548 /nfs/dbraw/zinc/25/25/48/165252548.db2.gz VLDAHDALEJWGQB-OAHLLOKOSA-N 1 1 320.414 3.346 10 5 DGBEMO Cc1cc(N[C@H]2CCC[NH2+][C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000262513593 274719841 /nfs/dbraw/zinc/71/98/41/274719841.db2.gz NEXPQNZKXLZZHS-FZMZJTMJSA-N 1 1 300.362 3.004 10 5 DGBEMO Cc1cn2c([nH+]1)CC[C@@H](Nc1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000112078602 431247022 /nfs/dbraw/zinc/24/70/22/431247022.db2.gz CNQDHIBFSJMKCJ-GFCCVEGCSA-N 1 1 323.356 3.075 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC1(C)C ZINC000077382795 431591538 /nfs/dbraw/zinc/59/15/38/431591538.db2.gz IDDXPCZIPBCDQB-UHFFFAOYSA-N 1 1 305.378 3.106 10 5 DGBEMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000249068206 432335594 /nfs/dbraw/zinc/33/55/94/432335594.db2.gz KLLYXFDKUNKETO-UMVBOHGHSA-N 1 1 320.389 3.095 10 5 DGBEMO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000544106727 314174050 /nfs/dbraw/zinc/17/40/50/314174050.db2.gz YLTKHJJKZYSJSB-CQSZACIVSA-N 1 1 317.389 3.130 10 5 DGBEMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000715648399 1090669801 /nfs/dbraw/zinc/66/98/01/1090669801.db2.gz MOYMORRTXIHLNR-HNNXBMFYSA-N 1 1 315.348 3.420 10 5 DGBEMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000470952179 244196514 /nfs/dbraw/zinc/19/65/14/244196514.db2.gz BFMJJXWEQPFQGV-ZWNOBZJWSA-N 1 1 302.296 3.410 10 5 DGBEMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000269055367 207204760 /nfs/dbraw/zinc/20/47/60/207204760.db2.gz SCHBZGAQHGMPPT-JKIFEVAISA-N 1 1 304.390 3.283 10 5 DGBEMO CCC[N@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000074258614 400500441 /nfs/dbraw/zinc/50/04/41/400500441.db2.gz AOABQFXDQDVECF-UHFFFAOYSA-N 1 1 314.389 3.065 10 5 DGBEMO Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000147028207 400650951 /nfs/dbraw/zinc/65/09/51/400650951.db2.gz FVISKQNMGQMYIC-AWEZNQCLSA-N 1 1 303.406 3.356 10 5 DGBEMO CC(=O)c1ccc(NCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000079914510 400905782 /nfs/dbraw/zinc/90/57/82/400905782.db2.gz WWNAJLOCNHSEST-LBPRGKRZSA-N 1 1 305.378 3.084 10 5 DGBEMO CC[C@H](N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247076259 432200161 /nfs/dbraw/zinc/20/01/61/432200161.db2.gz NHSLSPWJJUZHFI-XOKHGSTOSA-N 1 1 305.422 3.364 10 5 DGBEMO CC[C@H](N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000247076259 432200163 /nfs/dbraw/zinc/20/01/63/432200163.db2.gz NHSLSPWJJUZHFI-XOKHGSTOSA-N 1 1 305.422 3.364 10 5 DGBEMO Cc1c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000114203105 431378086 /nfs/dbraw/zinc/37/80/86/431378086.db2.gz GYIHTZDRFBKWON-MRXNPFEDSA-N 1 1 300.362 3.354 10 5 DGBEMO Cc1c(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000114203105 431378093 /nfs/dbraw/zinc/37/80/93/431378093.db2.gz GYIHTZDRFBKWON-MRXNPFEDSA-N 1 1 300.362 3.354 10 5 DGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]2c2ccco2)cc1 ZINC000116296156 431505111 /nfs/dbraw/zinc/50/51/11/431505111.db2.gz ILDSURFWRRDTIG-HNNXBMFYSA-N 1 1 302.330 3.404 10 5 DGBEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000123009421 431851404 /nfs/dbraw/zinc/85/14/04/431851404.db2.gz VJRXAYVIRFNYEH-INIZCTEOSA-N 1 1 314.389 3.245 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000183361409 432286875 /nfs/dbraw/zinc/28/68/75/432286875.db2.gz WNZQKYDUOOSPFD-NVXWUHKLSA-N 1 1 304.390 3.030 10 5 DGBEMO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000193638532 432486955 /nfs/dbraw/zinc/48/69/55/432486955.db2.gz BLLFTGMQVLUCCC-GFCCVEGCSA-N 1 1 317.345 3.094 10 5 DGBEMO C[C@H]1CCC[N@H+]1C1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000154960684 432532082 /nfs/dbraw/zinc/53/20/82/432532082.db2.gz MKLNNYXIPSPHJZ-NSHDSACASA-N 1 1 324.812 3.096 10 5 DGBEMO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000195194987 432610696 /nfs/dbraw/zinc/61/06/96/432610696.db2.gz QIGSDRDTOCHIRP-LLVKDONJSA-N 1 1 318.295 3.248 10 5 DGBEMO Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178292175 432716556 /nfs/dbraw/zinc/71/65/56/432716556.db2.gz WQJBPLXMJGRTAZ-SUMWQHHRSA-N 1 1 314.389 3.325 10 5 DGBEMO C[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@H]1c1cccc(F)c1 ZINC000245411668 432828344 /nfs/dbraw/zinc/82/83/44/432828344.db2.gz XYOTUOBRPSZROO-BLLLJJGKSA-N 1 1 318.352 3.014 10 5 DGBEMO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000245434276 432830143 /nfs/dbraw/zinc/83/01/43/432830143.db2.gz CEWYYWYRDBXMBJ-CHWSQXEVSA-N 1 1 319.405 3.352 10 5 DGBEMO COc1cnccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000189548474 432797926 /nfs/dbraw/zinc/79/79/26/432797926.db2.gz HJAACJHHXHOSLY-LBPRGKRZSA-N 1 1 301.346 3.158 10 5 DGBEMO C[C@@H](Nc1ccc([N+](=O)[O-])nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450435233 434182262 /nfs/dbraw/zinc/18/22/62/434182262.db2.gz OUTBXPXGOYYIED-OLZOCXBDSA-N 1 1 304.394 3.055 10 5 DGBEMO CC(=O)c1cc(NCC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000573173793 434879267 /nfs/dbraw/zinc/87/92/67/434879267.db2.gz UPHJYCIAQOLCSO-UHFFFAOYSA-N 1 1 319.405 3.474 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000542243006 314064153 /nfs/dbraw/zinc/06/41/53/314064153.db2.gz KJMQPQRTXUZUII-AWEZNQCLSA-N 1 1 317.389 3.130 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(c2cccs2)CC1 ZINC000183372280 323335747 /nfs/dbraw/zinc/33/57/47/323335747.db2.gz FKVIEXZVBHLTGK-UHFFFAOYSA-N 1 1 317.414 3.287 10 5 DGBEMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000156989049 527385937 /nfs/dbraw/zinc/38/59/37/527385937.db2.gz BBVVEZOZAJGWCR-CYBMUJFWSA-N 1 1 303.387 3.431 10 5 DGBEMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000081570650 192293125 /nfs/dbraw/zinc/29/31/25/192293125.db2.gz AGSXWFUKOVNWOP-LSDHHAIUSA-N 1 1 305.422 3.320 10 5 DGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCCCC1(F)F)CC2 ZINC000408456611 285184059 /nfs/dbraw/zinc/18/40/59/285184059.db2.gz JVZJTTVMBUJKQR-LBPRGKRZSA-N 1 1 311.332 3.173 10 5 DGBEMO O=[N+]([O-])[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000113877272 400382294 /nfs/dbraw/zinc/38/22/94/400382294.db2.gz JGEJNSUYFKBRNM-NVXWUHKLSA-N 1 1 300.333 3.070 10 5 DGBEMO O=[N+]([O-])[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1F ZINC000113877272 400382297 /nfs/dbraw/zinc/38/22/97/400382297.db2.gz JGEJNSUYFKBRNM-NVXWUHKLSA-N 1 1 300.333 3.070 10 5 DGBEMO O=[N+]([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000114031916 400385614 /nfs/dbraw/zinc/38/56/14/400385614.db2.gz REGUWZVPUVLAMT-SJORKVTESA-N 1 1 300.333 3.070 10 5 DGBEMO O=[N+]([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cccc(F)c1 ZINC000114031916 400385618 /nfs/dbraw/zinc/38/56/18/400385618.db2.gz REGUWZVPUVLAMT-SJORKVTESA-N 1 1 300.333 3.070 10 5 DGBEMO CC(=O)c1ccc(NCCC[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000593481197 400862124 /nfs/dbraw/zinc/86/21/24/400862124.db2.gz YGTAINQABJSITH-UHFFFAOYSA-N 1 1 307.394 3.187 10 5 DGBEMO Cn1cc([C@H]2CCC[N@H+]2C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000255324332 401103764 /nfs/dbraw/zinc/10/37/64/401103764.db2.gz DNOXMRDQTXQDOC-HQQUCIOCSA-N 1 1 312.373 3.179 10 5 DGBEMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC000136808548 432163978 /nfs/dbraw/zinc/16/39/78/432163978.db2.gz XCSVOJZMWHHYAH-IBGZPJMESA-N 1 1 324.380 3.418 10 5 DGBEMO O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000172177526 432200902 /nfs/dbraw/zinc/20/09/02/432200902.db2.gz APMNLVOGCFMVKE-UHFFFAOYSA-N 1 1 320.780 3.351 10 5 DGBEMO O=[N+]([O-])c1cc(CN2CCC[N@H+](C3CCCC3)CC2)cs1 ZINC000172585804 432223749 /nfs/dbraw/zinc/22/37/49/432223749.db2.gz YAFNKQZQXGHCNU-UHFFFAOYSA-N 1 1 309.435 3.107 10 5 DGBEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000175330497 276169697 /nfs/dbraw/zinc/16/96/97/276169697.db2.gz WUFRNBNPZCRTOR-CQSZACIVSA-N 1 1 311.813 3.164 10 5 DGBEMO CC[C@H]([NH2+][C@@H]1CCCn2nc(C)nc21)c1cccc([N+](=O)[O-])c1 ZINC000181260235 276589295 /nfs/dbraw/zinc/58/92/95/276589295.db2.gz IUUJRUUDEBWSHJ-LSDHHAIUSA-N 1 1 315.377 3.071 10 5 DGBEMO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]1c1ccco1 ZINC000116294892 431500590 /nfs/dbraw/zinc/50/05/90/431500590.db2.gz ZMXXBASOFJQVMJ-ZDUSSCGKSA-N 1 1 302.330 3.404 10 5 DGBEMO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000177054370 432580304 /nfs/dbraw/zinc/58/03/04/432580304.db2.gz SSJORMJBRZAGMM-RYUDHWBXSA-N 1 1 311.345 3.049 10 5 DGBEMO CC[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1cccc([N+](=O)[O-])c1 ZINC000178449472 432737903 /nfs/dbraw/zinc/73/79/03/432737903.db2.gz MVQGGUAUNHWSLY-GFCCVEGCSA-N 1 1 308.769 3.223 10 5 DGBEMO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245412262 432828302 /nfs/dbraw/zinc/82/83/02/432828302.db2.gz AGSXWFUKOVNWOP-CABCVRRESA-N 1 1 305.422 3.320 10 5 DGBEMO CC(=O)c1ccc(NCC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000301133916 433430047 /nfs/dbraw/zinc/43/00/47/433430047.db2.gz ZNQLDNKTIZZCCH-UHFFFAOYSA-N 1 1 319.405 3.474 10 5 DGBEMO CC(=O)c1cc(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000342217872 433540978 /nfs/dbraw/zinc/54/09/78/433540978.db2.gz FVGGXAKYBBIDCH-BETUJISGSA-N 1 1 319.405 3.472 10 5 DGBEMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1ccc([N+](=O)[O-])nc1 ZINC000379680612 434260363 /nfs/dbraw/zinc/26/03/63/434260363.db2.gz NGIKUKCMSNXBKS-UHFFFAOYSA-N 1 1 314.389 3.312 10 5 DGBEMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)cn1 ZINC000568559725 435446403 /nfs/dbraw/zinc/44/64/03/435446403.db2.gz OVZFYFIAUYOWLF-MRXNPFEDSA-N 1 1 318.421 3.446 10 5 DGBEMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185343689 323388393 /nfs/dbraw/zinc/38/83/93/323388393.db2.gz PVZABFCUWUFMIP-ZDUSSCGKSA-N 1 1 300.786 3.087 10 5 DGBEMO C[C@H]1C[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2Cl)CC[N@H+]1C ZINC000172847812 659359812 /nfs/dbraw/zinc/35/98/12/659359812.db2.gz FSUFOJQAEKQXDY-AAEUAGOBSA-N 1 1 311.813 3.163 10 5 DGBEMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000090359679 662260551 /nfs/dbraw/zinc/26/05/51/662260551.db2.gz DNALESDJWUAISV-VIFPVBQESA-N 1 1 307.331 3.415 10 5 DGBEMO CC1(C)CCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000171067128 432100128 /nfs/dbraw/zinc/10/01/28/432100128.db2.gz GBLPSPDWVZNGFM-UHFFFAOYSA-N 1 1 302.334 3.019 10 5 DGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000246278923 432115558 /nfs/dbraw/zinc/11/55/58/432115558.db2.gz UBEBNUSDLHJSBW-SUMWQHHRSA-N 1 1 313.357 3.204 10 5 DGBEMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000470955784 244199509 /nfs/dbraw/zinc/19/95/09/244199509.db2.gz OOYBXVWOCHPONP-MFKMUULPSA-N 1 1 318.295 3.246 10 5 DGBEMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000093438099 193251366 /nfs/dbraw/zinc/25/13/66/193251366.db2.gz YIVWZRJCFAABMC-OAHLLOKOSA-N 1 1 300.362 3.354 10 5 DGBEMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000093438099 193251368 /nfs/dbraw/zinc/25/13/68/193251368.db2.gz YIVWZRJCFAABMC-OAHLLOKOSA-N 1 1 300.362 3.354 10 5 DGBEMO Cn1cc[nH+]c1C[C@H](Nc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000610282366 400234291 /nfs/dbraw/zinc/23/42/91/400234291.db2.gz OWCKCTVWROZTRR-AWEZNQCLSA-N 1 1 323.356 3.119 10 5 DGBEMO O=[N+]([O-])c1cnc2c(c1)C[N@H+](C[C@@H]1CCc3ccccc3C1)CC2 ZINC000612469092 400550738 /nfs/dbraw/zinc/55/07/38/400550738.db2.gz KOKNUKJOJGPFJG-CQSZACIVSA-N 1 1 323.396 3.153 10 5 DGBEMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC000136808608 432163997 /nfs/dbraw/zinc/16/39/97/432163997.db2.gz XCSVOJZMWHHYAH-LJQANCHMSA-N 1 1 324.380 3.418 10 5 DGBEMO C[C@@H]1C[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2Cl)CC[N@H+]1C ZINC000182213243 432167041 /nfs/dbraw/zinc/16/70/41/432167041.db2.gz KPUMSXHHYIPWPH-YPMHNXCESA-N 1 1 311.813 3.163 10 5 DGBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c2c(c1)COCO2 ZINC000247358949 432224885 /nfs/dbraw/zinc/22/48/85/432224885.db2.gz HEJJDICQZTZMRQ-BLLLJJGKSA-N 1 1 318.373 3.226 10 5 DGBEMO C[C@H]1C[C@@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123397411 431863799 /nfs/dbraw/zinc/86/37/99/431863799.db2.gz YXWUNAVUZAUUJP-FZMZJTMJSA-N 1 1 311.813 3.163 10 5 DGBEMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000123476810 431866809 /nfs/dbraw/zinc/86/68/09/431866809.db2.gz ZQUFCFJDIFKUON-SNVBAGLBSA-N 1 1 320.370 3.278 10 5 DGBEMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000183363553 432287065 /nfs/dbraw/zinc/28/70/65/432287065.db2.gz PALBVRRYWHVXEW-PBHICJAKSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000183363553 432287081 /nfs/dbraw/zinc/28/70/81/432287081.db2.gz PALBVRRYWHVXEW-PBHICJAKSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000183363553 432287083 /nfs/dbraw/zinc/28/70/83/432287083.db2.gz PALBVRRYWHVXEW-PBHICJAKSA-N 1 1 305.422 3.065 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000183389520 432288940 /nfs/dbraw/zinc/28/89/40/432288940.db2.gz LLJIVLKHXMIBHF-INIZCTEOSA-N 1 1 314.389 3.146 10 5 DGBEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183385494 432289042 /nfs/dbraw/zinc/28/90/42/432289042.db2.gz HRDIFMTZSLTKFP-QGZVFWFLSA-N 1 1 314.389 3.073 10 5 DGBEMO C[C@@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H]1c1cccc(F)c1 ZINC000175152810 432404478 /nfs/dbraw/zinc/40/44/78/432404478.db2.gz XYOTUOBRPSZROO-WBMJQRKESA-N 1 1 318.352 3.014 10 5 DGBEMO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)o1 ZINC000193637825 432487248 /nfs/dbraw/zinc/48/72/48/432487248.db2.gz KKCCSAFLROMCIQ-NWDGAFQWSA-N 1 1 317.345 3.174 10 5 DGBEMO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000177054386 432580360 /nfs/dbraw/zinc/58/03/60/432580360.db2.gz SSJORMJBRZAGMM-NEPJUHHUSA-N 1 1 311.345 3.049 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)CC[C@H]1C ZINC000245461346 432834831 /nfs/dbraw/zinc/83/48/31/432834831.db2.gz WIGXDYUHQKEJAE-TZMCWYRMSA-N 1 1 319.405 3.352 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCC12CCC2 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1 1 316.357 3.112 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000245448811 432832597 /nfs/dbraw/zinc/83/25/97/432832597.db2.gz NEZNZFMAZVEVLP-GXTWGEPZSA-N 1 1 319.405 3.352 10 5 DGBEMO CC[N@H+]1CCc2c(cccc2Nc2cc(C)c([N+](=O)[O-])cn2)C1 ZINC000301679207 433673011 /nfs/dbraw/zinc/67/30/11/433673011.db2.gz DYIHVDWPOHOVEA-UHFFFAOYSA-N 1 1 312.373 3.420 10 5 DGBEMO CCCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1F ZINC000357963826 434265928 /nfs/dbraw/zinc/26/59/28/434265928.db2.gz REKQFWHNQQTRDH-UHFFFAOYSA-N 1 1 320.368 3.233 10 5 DGBEMO CC(=O)c1cc(NCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286303284 434224948 /nfs/dbraw/zinc/22/49/48/434224948.db2.gz YNHAMJKJUYHOFN-LBPRGKRZSA-N 1 1 305.378 3.084 10 5 DGBEMO C[C@H]1C[C@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CCO1 ZINC000583556625 324369309 /nfs/dbraw/zinc/36/93/09/324369309.db2.gz MDLFVQLIMTWPPN-DZGCQCFKSA-N 1 1 304.390 3.374 10 5 DGBEMO CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543471 535058960 /nfs/dbraw/zinc/05/89/60/535058960.db2.gz BWSSDQXSQIUCIO-ZBFHGGJFSA-N 1 1 306.406 3.181 10 5 DGBEMO CC[N@@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000302790458 546438695 /nfs/dbraw/zinc/43/86/95/546438695.db2.gz YFABBPQDGRMKHY-LLVKDONJSA-N 1 1 317.311 3.144 10 5 DGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000248025915 662332273 /nfs/dbraw/zinc/33/22/73/662332273.db2.gz PAZSJIOIOWOFJF-XJKSGUPXSA-N 1 1 324.808 3.375 10 5 DGBEMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1 ZINC000309678650 1199708923 /nfs/dbraw/zinc/70/89/23/1199708923.db2.gz YGEVBFNFUBGXEI-OAHLLOKOSA-N 1 1 311.385 3.306 10 5 DGBEMO C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C ZINC000235668950 1202604666 /nfs/dbraw/zinc/60/46/66/1202604666.db2.gz LNJPIDLSQPAACH-AOOOYVTPSA-N 1 1 313.195 3.445 10 5 DGBEMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000715648402 1090669688 /nfs/dbraw/zinc/66/96/88/1090669688.db2.gz MOYMORRTXIHLNR-OAHLLOKOSA-N 1 1 315.348 3.420 10 5 DGBEMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000174475312 198339525 /nfs/dbraw/zinc/33/95/25/198339525.db2.gz YQWSRZAAPDRBCY-RYUDHWBXSA-N 1 1 306.362 3.082 10 5 DGBEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2nccnc2C)cc1[N+](=O)[O-] ZINC000188225096 200211747 /nfs/dbraw/zinc/21/17/47/200211747.db2.gz QXCOYSGPEORWAY-WCQYABFASA-N 1 1 300.362 3.413 10 5 DGBEMO CC(C)[N@H+]1CC[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000264944204 204290693 /nfs/dbraw/zinc/29/06/93/204290693.db2.gz SVFHILOJBOGVGM-GFCCVEGCSA-N 1 1 300.362 3.038 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCCC[C@@H]1C ZINC000468637538 533409010 /nfs/dbraw/zinc/40/90/10/533409010.db2.gz JJZGEDSFZHBPNF-STTHAQSSSA-N 1 1 317.433 3.462 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCCC[C@@H]1C ZINC000468637538 533409015 /nfs/dbraw/zinc/40/90/15/533409015.db2.gz JJZGEDSFZHBPNF-STTHAQSSSA-N 1 1 317.433 3.462 10 5 DGBEMO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000182294540 432175439 /nfs/dbraw/zinc/17/54/39/432175439.db2.gz WNTLBDMAOLDZDU-JTQLQIEISA-N 1 1 318.304 3.313 10 5 DGBEMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c2c(c1)COCO2 ZINC000247358964 432224615 /nfs/dbraw/zinc/22/46/15/432224615.db2.gz HEJJDICQZTZMRQ-MLGOLLRUSA-N 1 1 318.373 3.226 10 5 DGBEMO COc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1[N+](=O)[O-] ZINC000249287555 278016807 /nfs/dbraw/zinc/01/68/07/278016807.db2.gz JBLWGBXSWNZDTJ-KGLIPLIRSA-N 1 1 319.405 3.055 10 5 DGBEMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076149898 431530839 /nfs/dbraw/zinc/53/08/39/431530839.db2.gz ROHCFTSXYNVCFH-NEPJUHHUSA-N 1 1 316.361 3.265 10 5 DGBEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000123009649 431851905 /nfs/dbraw/zinc/85/19/05/431851905.db2.gz VJRXAYVIRFNYEH-MRXNPFEDSA-N 1 1 314.389 3.245 10 5 DGBEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000193642934 432488768 /nfs/dbraw/zinc/48/87/68/432488768.db2.gz WRYUYRGGYBWIOL-RYUDHWBXSA-N 1 1 317.345 3.174 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000245461345 432834263 /nfs/dbraw/zinc/83/42/63/432834263.db2.gz WIGXDYUHQKEJAE-GXTWGEPZSA-N 1 1 319.405 3.352 10 5 DGBEMO O=C(C[N@H+]1CCC[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000245965435 432873399 /nfs/dbraw/zinc/87/33/99/432873399.db2.gz YXRYJSJXYABHKA-UKRRQHHQSA-N 1 1 317.389 3.188 10 5 DGBEMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])nc2)C[N@H+]1Cc1ccccc1 ZINC000398001422 434451255 /nfs/dbraw/zinc/45/12/55/434451255.db2.gz WLPJQIABSYNJLH-BBRMVZONSA-N 1 1 312.373 3.065 10 5 DGBEMO Cc1[nH+]ccn1C[C@H]1CCCN1c1ccc(C)cc1[N+](=O)[O-] ZINC000269935494 302716512 /nfs/dbraw/zinc/71/65/12/302716512.db2.gz NYFUKZLBHCNEFJ-CQSZACIVSA-N 1 1 300.362 3.077 10 5 DGBEMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000037562850 661265712 /nfs/dbraw/zinc/26/57/12/661265712.db2.gz ZVZJVMKKIKETHF-SECBINFHSA-N 1 1 306.343 3.236 10 5 DGBEMO C[C@H]1[C@H](Nc2ccncc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000309883241 231106934 /nfs/dbraw/zinc/10/69/34/231106934.db2.gz KGDBLVORHUVZRX-DZGCQCFKSA-N 1 1 312.373 3.065 10 5 DGBEMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000174771555 198382835 /nfs/dbraw/zinc/38/28/35/198382835.db2.gz IIJPSWOQHYXWQY-CZUORRHYSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000174771555 198382844 /nfs/dbraw/zinc/38/28/44/198382844.db2.gz IIJPSWOQHYXWQY-CZUORRHYSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000174771555 198382846 /nfs/dbraw/zinc/38/28/46/198382846.db2.gz IIJPSWOQHYXWQY-CZUORRHYSA-N 1 1 305.422 3.065 10 5 DGBEMO O=[N+]([O-])c1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000134880337 432087905 /nfs/dbraw/zinc/08/79/05/432087905.db2.gz CGSGRTWAFHLXHU-UKRRQHHQSA-N 1 1 321.446 3.105 10 5 DGBEMO Cc1nccc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449503602 240251233 /nfs/dbraw/zinc/25/12/33/240251233.db2.gz UKFDTAIWQQABQH-HNNXBMFYSA-N 1 1 312.373 3.073 10 5 DGBEMO CCC[C@H]([NH2+][C@H]1CCCn2ncnc21)c1cccc([N+](=O)[O-])c1 ZINC000164730090 283940929 /nfs/dbraw/zinc/94/09/29/283940929.db2.gz JTJFVEPACYAELZ-GJZGRUSLSA-N 1 1 315.377 3.152 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000470181807 533382785 /nfs/dbraw/zinc/38/27/85/533382785.db2.gz HDHZTLGEYDYRCA-GEZHENHXSA-N 1 1 317.433 3.413 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000470181807 533382806 /nfs/dbraw/zinc/38/28/06/533382806.db2.gz HDHZTLGEYDYRCA-GEZHENHXSA-N 1 1 317.433 3.413 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000470181807 533382809 /nfs/dbraw/zinc/38/28/09/533382809.db2.gz HDHZTLGEYDYRCA-GEZHENHXSA-N 1 1 317.433 3.413 10 5 DGBEMO COC[C@H](Cc1ccccc1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000191470864 165253268 /nfs/dbraw/zinc/25/32/68/165253268.db2.gz VLDAHDALEJWGQB-HNNXBMFYSA-N 1 1 320.414 3.346 10 5 DGBEMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000191470864 165253271 /nfs/dbraw/zinc/25/32/71/165253271.db2.gz VLDAHDALEJWGQB-HNNXBMFYSA-N 1 1 320.414 3.346 10 5 DGBEMO Cc1c(C[NH+]2CCC(c3ccn[nH]3)CC2)cccc1[N+](=O)[O-] ZINC000195507549 165371724 /nfs/dbraw/zinc/37/17/24/165371724.db2.gz JJDHMFLQZGBWPU-UHFFFAOYSA-N 1 1 300.362 3.006 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126562112 431952946 /nfs/dbraw/zinc/95/29/46/431952946.db2.gz MPUKLWVOEWCMGT-MRXNPFEDSA-N 1 1 318.398 3.272 10 5 DGBEMO O=[N+]([O-])c1ccc(CC[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000126562112 431952948 /nfs/dbraw/zinc/95/29/48/431952948.db2.gz MPUKLWVOEWCMGT-MRXNPFEDSA-N 1 1 318.398 3.272 10 5 DGBEMO COc1cc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)ccc1O ZINC000183252046 432274848 /nfs/dbraw/zinc/27/48/48/432274848.db2.gz WMBOCKRKIQYWQB-UHFFFAOYSA-N 1 1 316.357 3.249 10 5 DGBEMO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000248023414 432261201 /nfs/dbraw/zinc/26/12/01/432261201.db2.gz OERRFIXYULUQPN-XJKSGUPXSA-N 1 1 324.808 3.375 10 5 DGBEMO CC[N@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248630577 432308197 /nfs/dbraw/zinc/30/81/97/432308197.db2.gz PALBVRRYWHVXEW-YOEHRIQHSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248630577 432308216 /nfs/dbraw/zinc/30/82/16/432308216.db2.gz PALBVRRYWHVXEW-YOEHRIQHSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000248630577 432308219 /nfs/dbraw/zinc/30/82/19/432308219.db2.gz PALBVRRYWHVXEW-YOEHRIQHSA-N 1 1 305.422 3.065 10 5 DGBEMO C[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccc(F)c1 ZINC000176288029 432507631 /nfs/dbraw/zinc/50/76/31/432507631.db2.gz XOHXFHQNNPHPAQ-WBMJQRKESA-N 1 1 318.352 3.014 10 5 DGBEMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245422012 432829065 /nfs/dbraw/zinc/82/90/65/432829065.db2.gz IIJPSWOQHYXWQY-XJKSGUPXSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245422012 432829077 /nfs/dbraw/zinc/82/90/77/432829077.db2.gz IIJPSWOQHYXWQY-XJKSGUPXSA-N 1 1 305.422 3.065 10 5 DGBEMO CCN1CC[C@@H]([N@@H+](C)Cc2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000245422012 432829079 /nfs/dbraw/zinc/82/90/79/432829079.db2.gz IIJPSWOQHYXWQY-XJKSGUPXSA-N 1 1 305.422 3.065 10 5 DGBEMO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCOc1ccc(F)cc1)CC2 ZINC000446711831 433083548 /nfs/dbraw/zinc/08/35/48/433083548.db2.gz OMAZUGULBKNLAO-UHFFFAOYSA-N 1 1 316.332 3.171 10 5 DGBEMO O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCOc1ccc(F)cc1)CC2 ZINC000446711831 433083556 /nfs/dbraw/zinc/08/35/56/433083556.db2.gz OMAZUGULBKNLAO-UHFFFAOYSA-N 1 1 316.332 3.171 10 5 DGBEMO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCC12CCC2 ZINC000373093985 433092264 /nfs/dbraw/zinc/09/22/64/433092264.db2.gz DECDKEIJPYNVGY-UHFFFAOYSA-N 1 1 317.389 3.250 10 5 DGBEMO CC(C)C[N@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301774053 433716333 /nfs/dbraw/zinc/71/63/33/433716333.db2.gz MYRIPEXPCXVYFZ-CYBMUJFWSA-N 1 1 322.365 3.035 10 5 DGBEMO Cc1nc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301980351 433809697 /nfs/dbraw/zinc/80/96/97/433809697.db2.gz AOWHHKLNFWNOCG-ZDUSSCGKSA-N 1 1 314.389 3.231 10 5 DGBEMO O=[N+]([O-])c1ccc(F)cc1N1CC[NH+](Cc2cccs2)CC1 ZINC000302844034 433882807 /nfs/dbraw/zinc/88/28/07/433882807.db2.gz FOFZTPSNIBTRTO-UHFFFAOYSA-N 1 1 321.377 3.118 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)Cc1cnn(C)c1C ZINC000518685382 435649127 /nfs/dbraw/zinc/64/91/27/435649127.db2.gz FZLYRKDKHTUFBE-MDWZMJQESA-N 1 1 314.389 3.172 10 5 DGBEMO COc1ccc(F)cc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000189213440 200364534 /nfs/dbraw/zinc/36/45/34/200364534.db2.gz IODKUYFEXWPSLT-UHFFFAOYSA-N 1 1 304.321 3.341 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@H+]1CCCC[C@@H]1C ZINC000468637536 244056683 /nfs/dbraw/zinc/05/66/83/244056683.db2.gz JJZGEDSFZHBPNF-IRVMHKCDSA-N 1 1 317.433 3.462 10 5 DGBEMO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCC[N@@H+]1CCCC[C@@H]1C ZINC000468637536 244056688 /nfs/dbraw/zinc/05/66/88/244056688.db2.gz JJZGEDSFZHBPNF-IRVMHKCDSA-N 1 1 317.433 3.462 10 5 DGBEMO Cc1c([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000246398394 432127228 /nfs/dbraw/zinc/12/72/28/432127228.db2.gz LNLBKCSAPGHWJF-INWMFGNUSA-N 1 1 305.422 3.283 10 5 DGBEMO Cc1c([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000246398394 432127231 /nfs/dbraw/zinc/12/72/31/432127231.db2.gz LNLBKCSAPGHWJF-INWMFGNUSA-N 1 1 305.422 3.283 10 5 DGBEMO Cc1ccc([C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246450205 432132178 /nfs/dbraw/zinc/13/21/78/432132178.db2.gz PFJDEBPVEFPYHZ-YCPHGPKFSA-N 1 1 305.422 3.283 10 5 DGBEMO Cc1ccc([C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246450205 432132180 /nfs/dbraw/zinc/13/21/80/432132180.db2.gz PFJDEBPVEFPYHZ-YCPHGPKFSA-N 1 1 305.422 3.283 10 5 DGBEMO CC[N@H+]1CC[C@H](N(C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000255375624 285151184 /nfs/dbraw/zinc/15/11/84/285151184.db2.gz VJRRTZZSAQIOLF-GPXGYGPYSA-N 1 1 317.433 3.270 10 5 DGBEMO CCN1CC[C@H]([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000255375624 285151193 /nfs/dbraw/zinc/15/11/93/285151193.db2.gz VJRRTZZSAQIOLF-GPXGYGPYSA-N 1 1 317.433 3.270 10 5 DGBEMO CCN1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000255375624 285151195 /nfs/dbraw/zinc/15/11/95/285151195.db2.gz VJRRTZZSAQIOLF-GPXGYGPYSA-N 1 1 317.433 3.270 10 5 DGBEMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157597923 197200426 /nfs/dbraw/zinc/20/04/26/197200426.db2.gz CHWAOEJOEVMUAQ-LLVKDONJSA-N 1 1 308.769 3.138 10 5 DGBEMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000470207512 533407563 /nfs/dbraw/zinc/40/75/63/533407563.db2.gz ORIZHGLUZBHDCG-IPYPSQIJSA-N 1 1 304.390 3.233 10 5 DGBEMO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000246611739 275039798 /nfs/dbraw/zinc/03/97/98/275039798.db2.gz NEIIVNYPBMWVPH-GOEBONIOSA-N 1 1 316.357 3.276 10 5 DGBEMO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]2c2ccco2)c1 ZINC000116292271 431500826 /nfs/dbraw/zinc/50/08/26/431500826.db2.gz QZPKNKXOZYAEOE-HNNXBMFYSA-N 1 1 302.330 3.404 10 5 DGBEMO Cc1c(NC(=O)CC[N@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000077382793 431591546 /nfs/dbraw/zinc/59/15/46/431591546.db2.gz CLMSAKRMJCRKHB-UHFFFAOYSA-N 1 1 305.378 3.106 10 5 DGBEMO C[C@@H]1C[C@H](N(C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000123396680 431863906 /nfs/dbraw/zinc/86/39/06/431863906.db2.gz YXWUNAVUZAUUJP-BXUZGUMPSA-N 1 1 311.813 3.163 10 5 DGBEMO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC000123567991 431867826 /nfs/dbraw/zinc/86/78/26/431867826.db2.gz RXPPQZKSTOLVQV-HZPDHXFCSA-N 1 1 322.430 3.081 10 5 DGBEMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000055058553 431975323 /nfs/dbraw/zinc/97/53/23/431975323.db2.gz QIHSUZNSXDAQJT-LBPRGKRZSA-N 1 1 308.378 3.319 10 5 DGBEMO COc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000055025037 431975375 /nfs/dbraw/zinc/97/53/75/431975375.db2.gz IDODGGYNXKNBMZ-UHFFFAOYSA-N 1 1 318.348 3.417 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000183289060 432278085 /nfs/dbraw/zinc/27/80/85/432278085.db2.gz XOWWGHNRAAYJKE-CQSZACIVSA-N 1 1 300.362 3.006 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000183372706 432286894 /nfs/dbraw/zinc/28/68/94/432286894.db2.gz FSWGKHRUZLXOEC-AWEZNQCLSA-N 1 1 320.389 3.067 10 5 DGBEMO CCCn1cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000154261465 432485648 /nfs/dbraw/zinc/48/56/48/432485648.db2.gz GMPXKIMWSKIUGE-UHFFFAOYSA-N 1 1 314.389 3.366 10 5 DGBEMO CCCn1cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000154261465 432485651 /nfs/dbraw/zinc/48/56/51/432485651.db2.gz GMPXKIMWSKIUGE-UHFFFAOYSA-N 1 1 314.389 3.366 10 5 DGBEMO CC[N@@H+](C)[C@@H]1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000302837507 433881307 /nfs/dbraw/zinc/88/13/07/433881307.db2.gz XPIXOJAZQQUKKO-SECBINFHSA-N 1 1 318.204 3.432 10 5 DGBEMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cn1 ZINC000568559724 435446667 /nfs/dbraw/zinc/44/66/67/435446667.db2.gz OVZFYFIAUYOWLF-INIZCTEOSA-N 1 1 318.421 3.446 10 5 DGBEMO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000542243011 314064117 /nfs/dbraw/zinc/06/41/17/314064117.db2.gz KJMQPQRTXUZUII-CQSZACIVSA-N 1 1 317.389 3.130 10 5 DGBEMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302069762 527968323 /nfs/dbraw/zinc/96/83/23/527968323.db2.gz VKPPWMHKLUHLDJ-OAHLLOKOSA-N 1 1 321.421 3.010 10 5 DGBEMO CCOc1cc(N2C[C@@H]3CCC[N@H+]3C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000301968559 528314138 /nfs/dbraw/zinc/31/41/38/528314138.db2.gz YQFBLZJOIOLMLI-HIFRSBDPSA-N 1 1 319.405 3.057 10 5 DGBEMO CC(C)(C)[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543470 535060386 /nfs/dbraw/zinc/06/03/86/535060386.db2.gz BWSSDQXSQIUCIO-HOCLYGCPSA-N 1 1 306.406 3.181 10 5 DGBEMO O=[N+]([O-])c1ccc(Cl)c(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000177984975 655952113 /nfs/dbraw/zinc/95/21/13/655952113.db2.gz PAZSJIOIOWOFJF-CJNGLKHVSA-N 1 1 324.808 3.375 10 5 DGBEMO